data_10-Gd
_audit_creation_date               2025-06-08
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number       '2019/3'
loop_
  _audit_author_name
  _audit_author_email
  _audit_author_address
 'Lu, Z.' ? ?

_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
D. Kratzert, I. Krossing, (2018), J. Appl. Cryst. 51, 928-934.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Kratzert, D., Holstein, J.J. & Krossing, I. (2015). J. Appl. Cryst. 48, 933-938.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          10-Gd
_chemical_formula_moiety          
 'C36.768 H45.122 Gd2 Mo12 N7.354 O55 P9, 1.646(C5 H6 N), 10(H2 O), 3(H3 O)'
_chemical_formula_sum              'C45 H84 Gd2 Mo12 N9 O68 P9'
_chemical_formula_weight           3583.72
_chemical_melting_point            ?
_chemical_oxdiff_formula           Gd2Mo12C50H43O66N10P9
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Gd' 'Gd' -0.1653 3.9035
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mo' 'Mo' -1.6832 0.6857
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'tetragonal'
_space_group_IT_number             84
_space_group_name_H-M_alt          'P 42/m'
_space_group_name_Hall             '-P 4c'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z'
 '-y, x, z+1/2'
 'y, -x, z+1/2'
 '-x, -y, -z'
 'x, y, -z'
 'y, -x, -z-1/2'
 '-y, x, -z-1/2'

_cell_length_a                     20.1964(3)
_cell_length_b                     20.1964(3)
_cell_length_c                     31.2817(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       12759.6(4)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      38394
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        30.5850
_cell_measurement_theta_min        2.1430
_shelx_estimated_absorpt_T_max     0.954
_shelx_estimated_absorpt_T_min     0.891
_exptl_absorpt_coefficient_mu      2.359
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.79466
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'brownish red'
_exptl_crystal_colour_modifier     brownish
_exptl_crystal_colour_primary      red
_exptl_crystal_density_diffrn      1.866
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               6912
_exptl_crystal_size_max            0.05
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.02
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0496
_diffrn_reflns_av_unetI/netI       0.0255
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         24
_diffrn_reflns_limit_h_min         -23
_diffrn_reflns_limit_k_max         24
_diffrn_reflns_limit_k_min         -24
_diffrn_reflns_limit_l_max         37
_diffrn_reflns_limit_l_min         -37
_diffrn_reflns_number              101005
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          25.026
_diffrn_reflns_theta_max           25.026
_diffrn_reflns_theta_min           1.647
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -37.00  16.00   0.50   15.00    --   -9.28 -83.00 -16.00  106
  2  ω    -38.00  37.00   0.50   15.00    --   10.21 -83.00 -16.00  150
  3  ω    -18.00  44.00   0.50   15.00    --   10.21 -99.00-150.00  124
  4  ω    -18.00  44.00   0.50   15.00    --   10.21 -99.00-120.00  124
  5  ω    -65.00  -1.00   0.50   15.00    --   10.21 -19.00  30.00  128
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0249827000
_diffrn_orient_matrix_UB_12        0.0220225000
_diffrn_orient_matrix_UB_13        0.0071722000
_diffrn_orient_matrix_UB_21        -0.0246707000
_diffrn_orient_matrix_UB_22        0.0215074000
_diffrn_orient_matrix_UB_23        0.0082666000
_diffrn_orient_matrix_UB_31        0.0012252000
_diffrn_orient_matrix_UB_32        -0.0169040000
_diffrn_orient_matrix_UB_33        0.0198505000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  8999
_reflns_number_total               11489
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection         'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction          'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           2.433
_refine_diff_density_min           -1.328
_refine_diff_density_rms           0.180
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.180
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1233
_refine_ls_number_reflns           11489
_refine_ls_number_restraints       1612
_refine_ls_R_factor_all            0.1117
_refine_ls_R_factor_gt             0.0876
_refine_ls_restrained_S_all        1.113
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0500P)²+286.6316P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1992
_refine_ls_wR_factor_ref           0.2152
_refine_special_details
;
 Refined as a 2-component twin.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.9864(7)
 0.0136(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All P(H) groups
 At 1.5 times of:
  All O(H,H) groups, All O(H,H,H) groups
3. Restrained distances
 N12-C56 = N12-C60
 1.33 with sigma of 0.02
 Mo4-N4
 2.2 with sigma of 0.02
 N1-C5 = N1-C1
 1.33 with sigma of 0.02
 N2-C6 = N2-C10
 1.33 with sigma of 0.02
 Mo5-N5
 2.2 with sigma of 0.02
 N3-C11 = N3-C15
 1.33 with sigma of 0.02
 N5-C25 = N5-C21
 1.33 with sigma of 0.02
 N7-C31 = N7-C35
 1.33 with sigma of 0.02
 N4-C16 = N4-C20
 1.33 with sigma of 0.02
 Mo6-N6
 2.2 with sigma of 0.02
 C6-C7 = C9-C10
 1.38 with sigma of 0.02
 C11-C12 = C14-C15
 1.38 with sigma of 0.02
 C5-C4 = C2-C1
 1.38 with sigma of 0.02
 C16-C17 = C19-C20
 1.38 with sigma of 0.02
 C25-C24 = C22-C21
 1.38 with sigma of 0.02
 C7-C8 = C8-C9
 1.37 with sigma of 0.02
 C4-C3 = C3-C2
 1.37 with sigma of 0.02
 N9-C45 = N9-C41
 1.33 with sigma of 0.02
 C12-C13 = C13-C14
 1.37 with sigma of 0.02
 C17-C18 = C18-C19
 1.37 with sigma of 0.02
 C24-C23 = C23-C22
 1.37 with sigma of 0.02
 N6-C26 = N6-C30
 1.33 with sigma of 0.02
 N10-C46 = N10-C50
 1.33 with sigma of 0.02
 C31-C32 = C34-C35
 1.38 with sigma of 0.02
 C32-C33 = C33-C34
 1.37 with sigma of 0.02
 N11-C55 = N11-C51
 1.33 with sigma of 0.02
 C26-C27 = C29-C30
 1.38 with sigma of 0.02
 N8-C40 = N8-C36
 1.33 with sigma of 0.02
 C27-C28 = C28-C29
 1.37 with sigma of 0.02
 C46-C47 = C49-C50
 1.38 with sigma of 0.02
 C45-C44 = C42-C41
 1.38 with sigma of 0.02
 C44-C43 = C43-C42
 1.37 with sigma of 0.02
 C47-C48 = C48-C49
 1.37 with sigma of 0.02
 C40-C39 = C37-C36
 1.38 with sigma of 0.02
 C56-C57 = C59-C60
 1.38 with sigma of 0.02
 C55-C54 = C52-C51
 1.38 with sigma of 0.02
 C57-C58 = C58-C59
 1.37 with sigma of 0.02
 C39-C38 = C38-C37
 1.37 with sigma of 0.02
 C54-C53 = C53-C52
 1.37 with sigma of 0.02
 Mo3-O6
 1.064 with sigma of 0.02
 Mo1-O5
 1.142 with sigma of 0.02
 Mo2-O4
 1.111 with sigma of 0.02
 Mo5-O4
 1.793 with sigma of 0.02
 Mo6-O4
 1.832 with sigma of 0.02
 Mo5-O5
 1.727 with sigma of 0.02
 Mo4-O6
 1.674 with sigma of 0.02
 Mo4-O5
 1.902 with sigma of 0.02
 Mo6-O6
 2.028 with sigma of 0.02
 N3-C12
 2.4 with sigma of 0.04
 N1-C4
 2.4 with sigma of 0.04
 N2-C7
 2.4 with sigma of 0.04
 N1-C2
 2.39 with sigma of 0.04
 N5-C24
 2.4 with sigma of 0.04
 N4-C17
 2.4 with sigma of 0.04
 N3-C14
 2.39 with sigma of 0.04
 N2-C9
 2.39 with sigma of 0.04
 N4-C19
 2.39 with sigma of 0.04
 N5-C22
 2.39 with sigma of 0.04
 C11-C13
 2.36 with sigma of 0.04
 C6-C8
 2.36 with sigma of 0.04
 C5-C3
 2.36 with sigma of 0.04
 C16-C18
 2.36 with sigma of 0.04
 C25-C23
 2.36 with sigma of 0.04
 C4-C2
 2.35 with sigma of 0.04
 C7-C9
 2.35 with sigma of 0.04
 C12-C14
 2.35 with sigma of 0.04
 N7-C32
 2.4 with sigma of 0.04
 C13-C15
 2.37 with sigma of 0.04
 C17-C19
 2.35 with sigma of 0.04
 C8-C10
 2.37 with sigma of 0.04
 C3-C1
 2.37 with sigma of 0.04
 C24-C22
 2.35 with sigma of 0.04
 C23-C21
 2.37 with sigma of 0.04
 C18-C20
 2.37 with sigma of 0.04
 N7-C34
 2.39 with sigma of 0.04
 N6-C27
 2.4 with sigma of 0.04
 N6-C29
 2.39 with sigma of 0.04
 N9-C44
 2.4 with sigma of 0.04
 C31-C33
 2.36 with sigma of 0.04
 N10-C47
 2.4 with sigma of 0.04
 C32-C34
 2.35 with sigma of 0.04
 N10-C49
 2.39 with sigma of 0.04
 C33-C35
 2.37 with sigma of 0.04
 N9-C42
 2.39 with sigma of 0.04
 C26-C28
 2.36 with sigma of 0.04
 C27-C29
 2.35 with sigma of 0.04
 C28-C30
 2.37 with sigma of 0.04
 C46-C48
 2.36 with sigma of 0.04
 N11-C54
 2.4 with sigma of 0.04
 C45-C43
 2.36 with sigma of 0.04
 N8-C39
 2.4 with sigma of 0.04
 C47-C49
 2.35 with sigma of 0.04
 C44-C42
 2.35 with sigma of 0.04
 N12-C57
 2.4 with sigma of 0.04
 C43-C41
 2.37 with sigma of 0.04
 C48-C50
 2.37 with sigma of 0.04
 N11-C52
 2.39 with sigma of 0.04
 N8-C37
 2.39 with sigma of 0.04
 N12-C59
 2.39 with sigma of 0.04
 C40-C38
 2.36 with sigma of 0.04
 C55-C53
 2.36 with sigma of 0.04
 C56-C58
 2.36 with sigma of 0.04
 C54-C52
 2.35 with sigma of 0.04
 C39-C37
 2.35 with sigma of 0.04
 C57-C59
 2.35 with sigma of 0.04
 C58-C60
 2.37 with sigma of 0.04
 C38-C36
 2.37 with sigma of 0.04
 C53-C51
 2.37 with sigma of 0.04
 N3-C14 \\sim N3-C12
 with sigma of 0.04
 N1-C2 \\sim N1-C4
 with sigma of 0.04
 N2-C9 \\sim N2-C7
 with sigma of 0.04
 C3-C1 \\sim C3-C5 \\sim C2-C4 \\sim C1-C5
 with sigma of 0.04
 N4-C19 \\sim N4-C17
 with sigma of 0.04
 N5-C22 \\sim N5-C24
 with sigma of 0.04
 C13-C15 \\sim C13-C11 \\sim C14-C12 \\sim C15-C11
 with sigma of 0.04
 C8-C10 \\sim C8-C6 \\sim C9-C7 \\sim C10-C6
 with sigma of 0.04
 C23-C21 \\sim C23-C25 \\sim C22-C24 \\sim C21-C25
 with sigma of 0.04
 C18-C20 \\sim C18-C16 \\sim C19-C17 \\sim C20-C16
 with sigma of 0.04
 N7-C34 \\sim N7-C32
 with sigma of 0.04
 C33-C35 \\sim C33-C31 \\sim C34-C32 \\sim C35-C31
 with sigma of 0.04
 C26-C27 \\sim C27-C28 \\sim C28-C29 \\sim C29-C30
 with sigma of 0.02
 C28-C30 \\sim C28-C26 \\sim C29-C27 \\sim C30-C26
 with sigma of 0.04
 N10-C49 \\sim N10-C47
 with sigma of 0.04
 N9-C42 \\sim N9-C44
 with sigma of 0.04
 C43-C41 \\sim C43-C45 \\sim C42-C44 \\sim C41-C45
 with sigma of 0.04
 C48-C50 \\sim C48-C46 \\sim C49-C47 \\sim C50-C46
 with sigma of 0.04
 N8-C37 \\sim N8-C39
 with sigma of 0.04
 N11-C52 \\sim N11-C54
 with sigma of 0.04
 N12-C59 \\sim N12-C57
 with sigma of 0.04
 C53-C51 \\sim C53-C55 \\sim C52-C54 \\sim C51-C55
 with sigma of 0.04
 C58-C60 \\sim C58-C56 \\sim C59-C57 \\sim C60-C56
 with sigma of 0.04
 C38-C36 \\sim C38-C40 \\sim C37-C39 \\sim C36-C40
 with sigma of 0.04
4. Restrained planarity
 N3, C11, C12, C13, C14, C15
 with sigma of 0.1
 N1, C5, C4, C3, C2, C1
 with sigma of 0.1
 N2, C6, C7, C8, C9, C10
 with sigma of 0.1
 N5, C25, C24, C23, C22, C21
 with sigma of 0.1
 N4, C16, C17, C18, C19, C20
 with sigma of 0.1
 N6, C26, C27, C28, C29, C30
 with sigma of 0.1
 N7, C31, C32, C33, C34, C35
 with sigma of 0.1
 N9, C45, C44, C43, C42, C41
 with sigma of 0.1
 N10, C46, C47, C48, C49, C50
 with sigma of 0.1
 N11, C55, C54, C53, C52, C51
 with sigma of 0.1
 N12, C56, C57, C58, C59, C60
 with sigma of 0.1
 N8, C40, C39, C38, C37, C36
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
N2 \\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
N3 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N1 \\sim C5 \\sim C4 \\sim C3 \\sim C2 \\sim C1: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
N5 \\sim C25 \\sim C24 \\sim C23 \\sim C22 \\sim C21: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N4 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N6 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N7 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N9 \\sim C45 \\sim C44 \\sim C43 \\sim C42 \\sim C41: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N10 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N8 \\sim C40 \\sim C39 \\sim C38 \\sim C37 \\sim C36: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N12 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N11 \\sim C55 \\sim C54 \\sim C53 \\sim C52 \\sim C51: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O5 \\sim O6: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
Uanis(N5) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(N4) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(O26) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N6) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(N7) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C35)
\\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
Uanis(O27) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N9) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C41)
\\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(O28) \\sim Ueq: with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(N10) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C50)
\\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
Uanis(O36) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O35) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(N12) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C60)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C59) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(N11) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C51)
\\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C52) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(N8) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C37) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(O39) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O42) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O37) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O48) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O46) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O45) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O38) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O41) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O40) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O47) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(Mo4) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O1) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O43) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O6) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of
0.02 and sigma for terminal atoms of 0.04
Uanis(O44) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O49) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Mo6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Rigid body (RIGU) restrains
 N1, C5, C4, C3, C2, C1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N2, C6, C7, C8, C9, C10
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N3, C11, C12, C13, C14, C15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N4, C16, C17, C18, C19, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N5, C25, C24, C23, C22, C21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N6, C26, C27, C28, C29, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N7, C31, C32, C33, C34, C35
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N10, C46, C47, C48, C49, C50
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N9, C45, C44, C43, C42, C41
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N11, C55, C54, C53, C52, C51
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N8, C40, C39, C38, C37, C36
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N12, C56, C57, C58, C59, C60
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 1*[Sof(O27)]+1*[Sof(O26)]+1*[Sof(O28)]=1 with esd of 0.001
 1*[Sof(O28)]+1*[Sof(H3)]=1 with esd of 0.001
 1*[Sof(O26)]+1*[Sof(H1)]=1 with esd of 0.001
 1*[Sof(O27)]+1*[Sof(H2)]=1 with esd of 0.001
 1*[Sof(Mo1)+Sof(Mo3)+Sof(Mo2)+Sof(O1)+Sof(O2)+Sof(O3)+Sof(N2)+Sof(C6)+
 Sof(H6A)+Sof(C7)+Sof(H7A)+Sof(C8)+Sof(H8A)+Sof(C9)+Sof(H9)+Sof(C10)+Sof(H10)+
 Sof(N1)+Sof(C5)+Sof(H5A)+Sof(C4)+Sof(H4A)+Sof(C3)+Sof(H3A)+Sof(C2)+Sof(H2A)+
 Sof(C1)+Sof(H1A)+Sof(N3)+Sof(C11)+Sof(H11)+Sof(C12)+Sof(H12)+Sof(C13)+Sof(H13)+
 Sof(C14)+Sof(H14)+Sof(C15)+Sof(H15)]+1*[Sof(Mo5)+Sof(Mo4)+Sof(Mo6)+Sof(N4)+
 Sof(C16)+Sof(H16)+Sof(C17)+Sof(H17)+Sof(C18)+Sof(H18)+Sof(C19)+Sof(H19)+
 Sof(C20)+Sof(H20)+Sof(N5)+Sof(C25)+Sof(H25)+Sof(C24)+Sof(H24)+Sof(C23)+
 Sof(H23)+Sof(C22)+Sof(H22)+Sof(C21)+Sof(H21)+Sof(N6)+Sof(C26)+Sof(H26)+
 Sof(C27)+Sof(H27)+Sof(C28)+Sof(H28)+Sof(C29)+Sof(H29)+Sof(C30)+Sof(H30)+
 Sof(O5)+Sof(O4)+Sof(O6)]=1 with esd of 0.00001
 Sof(P6)=Sof(H6)=0.5*(1-FVAR(2))
 Sof(P5)=Sof(H5)=0.5*FVAR(2)
 Sof(P7)=Sof(H7)=0.5*(1-FVAR(3))
 Sof(P8)=Sof(H8)=0.5*FVAR(3)
 Sof(Mo5)=Sof(Mo4)=Sof(Mo6)=Sof(N4)=Sof(C16)=Sof(H16)=Sof(C17)=Sof(H17)=
 Sof(C18)=Sof(H18)=Sof(C19)=Sof(H19)=Sof(C20)=Sof(H20)=Sof(N5)=Sof(C25)=
 Sof(H25)=Sof(C24)=Sof(H24)=Sof(C23)=Sof(H23)=Sof(C22)=Sof(H22)=Sof(C21)=
 Sof(H21)=Sof(N6)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=
 Sof(C29)=Sof(H29)=Sof(C30)=Sof(H30)=Sof(O5)=Sof(O4)=Sof(O6)=FVAR(9)
 Sof(Mo1)=Sof(Mo3)=Sof(Mo2)=Sof(O1)=Sof(O2)=Sof(O3)=Sof(N2)=Sof(C6)=Sof(H6A)=
 Sof(C7)=Sof(H7A)=Sof(C8)=Sof(H8A)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10)=Sof(N1)=
 Sof(C5)=Sof(H5A)=Sof(C4)=Sof(H4A)=Sof(C3)=Sof(H3A)=Sof(C2)=Sof(H2A)=Sof(C1)=
 Sof(H1A)=Sof(N3)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=Sof(C13)=Sof(H13)=
 Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=FVAR(10)
 Fixed Sof: N10(0.15649) H10A(0.15649) C46(0.15649) H46(0.15649) C47(0.15649)
 H47(0.15649) C48(0.15649) H48(0.15649) C49(0.15649) H49(0.15649) C50(0.15649)
 H50(0.15649) N8(0.208333) H8B(0.208333) C40(0.208333) H40(0.208333)
 C39(0.208333) H39(0.208333) C38(0.208333) H38(0.208333) C37(0.208333)
 H37(0.208333) C36(0.208333) H36(0.208333) N9(0.208333) H9A(0.208333)
 C45(0.208333) H45(0.208333) C44(0.208333) H44(0.208333) C43(0.208333)
 H43(0.208333) C42(0.208333) H42(0.208333) C41(0.208333) H41(0.208333)
 N11(0.166667) H11A(0.166667) C55(0.166667) H55(0.166667) C54(0.166667)
 H54(0.166667) C53(0.166667) H53(0.166667) C52(0.166667) H52(0.166667)
 C51(0.166667) H51(0.166667) N12(0.083333) H12A(0.083333) C56(0.083333)
 H56(0.083333) C57(0.083333) H57(0.083333) C58(0.083333) H58(0.083333)
 C59(0.083333) H59(0.083333) C60(0.083333) H60(0.083333) O36(0.5) H36A(0.5)
 H36B(0.5) H36C(0.5) O41(0.5) H41A(0.5) H41B(0.5) O40(0.5) H40A(0.5) H40B(0.5)
 O37(0.375) H37A(0.375) H37B(0.375) O44(0.125) H44A(0.125) H44B(0.125)
 O46(0.375) H46A(0.375) H46B(0.375) O43(0.375) H43A(0.375) H43B(0.375)
 O38(0.375) H38A(0.375) H38B(0.375) O47(0.125) H47A(0.125) H47B(0.125)
 O39(0.375) H39A(0.375) H40C(0.375) O42(0.375) H42A(0.375) H42B(0.375)
 O49(0.25) H49A(0.25) H49B(0.25) O45(0.25) H45A(0.25) H45B(0.25) N7(0.67684)
 H7B(0.67684) C31(0.67684) H31(0.67684) C32(0.67684) H32(0.67684) C33(0.67684)
 H33(0.67684) C34(0.67684) H34(0.67684) C35(0.67684) H35(0.67696)
8.a Riding coordinates:
 P4(H4), P1(H1), P3(H3), P2(H2), P5(H5), P6(H6), P8(H8), P7(H7), O48(H48A,
 H48B), O35(H35A,H35B,H35C), O36(H36A,H36B,H36C), O41(H41A,H41B), O40(H40A,
 H40B), O37(H37A,H37B), O44(H44A,H44B), O46(H46A,H46B), O43(H43A,H43B),
 O38(H38A,H38B), O47(H47A,H47B), O39(H39A,H40C), O42(H42A,H42B), O49(H49A,H49B),
  O45(H45A,H45B)
8.b Aromatic/amide H refined with riding coordinates:
 C6(H6A), C7(H7A), C8(H8A), C9(H9), C10(H10), C5(H5A), C4(H4A), C3(H3A),
 C2(H2A), C1(H1A), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C25(H25), C24(H24), C23(H23), C22(H22),
  C21(H21), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), N10(H10A),
 C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), N8(H8B), C40(H40), C39(H39),
 C38(H38), C37(H37), C36(H36), N9(H9A), C45(H45), C44(H44), C43(H43), C42(H42),
 C41(H41), N11(H11A), C55(H55), C54(H54), C53(H53), C52(H52), C51(H51),
 N12(H12A), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60), N7(H7B), C31(H31),
  C32(H32), C33(H33), C34(H34), C35(H35)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Gd1 Gd 0.22857(4) 0.27259(4) 0.44071(2) 0.0530(2) Uani 1 1 d . . . . .
 Mo8 Mo 0.07194(7) 0.17987(7) 0.39480(4) 0.0562(4) Uani 1 1 d . . . . .
 Mo7 Mo 0.22341(8) 0.46207(7) 0.39593(4) 0.0588(4) Uani 1 1 d . . . . .
 Mo1 Mo 0.19403(8) 0.33663(8) 0.31170(4) 0.0444(4) Uani 0.838(2) 1 d D . P C .
 Mo3 Mo 0.19854(8) 0.21125(8) 0.31195(4) 0.0491(4) Uani 0.838(2) 1 d D . P C .
 Mo9 Mo 0.39684(8) 0.18808(9) 0.39560(4) 0.0690(5) Uani 1 1 d . . . . .
 Mo2 Mo 0.30357(8) 0.27860(9) 0.31306(4) 0.0510(4) Uani 0.838(2) 1 d D . P C .
 P4 P 0.2467(3) 0.4278(3) 0.500000 0.0468(13) Uani 1 2 d S T P . .
 H4 H 0.315498 0.428507 0.500000 0.056 Uiso 1 2 d R U P . .
 P1 P 0.1006(2) 0.3447(2) 0.39477(10) 0.0501(9) Uani 1 1 d . . . . .
 H1 H 0.037430 0.365578 0.406146 0.060 Uiso 0.527(17) 1 d R U P . .
 P3 P 0.3496(3) 0.3512(3) 0.39894(12) 0.0676(12) Uani 1 1 d . . . . .
 H3 H 0.398663 0.391648 0.415647 0.081 Uiso 0.802(17) 1 d R U P . .
 P2 P 0.2352(2) 0.1309(2) 0.39690(13) 0.0628(11) Uani 1 1 d . . . . .
 H2 H 0.239742 0.065741 0.410943 0.075 Uiso 0.671(16) 1 d R U P . .
 O9 O 0.1052(5) 0.3450(5) 0.3461(3) 0.050(2) Uani 1 1 d . . . . .
 O30 O 0.0624(5) 0.1800(5) 0.4608(3) 0.054(3) Uani 1 1 d . . . . .
 O32 O 0.2258(7) 0.3547(6) 0.500000 0.045(3) Uani 1 2 d S T P . .
 O29 O 0.2235(6) 0.4678(5) 0.4616(3) 0.060(3) Uani 1 1 d . . . . .
 O7 O 0.2308(5) 0.2752(4) 0.3587(2) 0.043(2) Uani 1 1 d . . . . .
 Mo5 Mo 0.2698(6) 0.3400(5) 0.3103(3) 0.080(3) Uani 0.162(2) 1 d D . P C .
 O13 O 0.3543(5) 0.3501(6) 0.3505(3) 0.061(3) Uani 1 1 d . . . . .
 O33 O 0.1599(7) 0.2337(6) 0.500000 0.043(3) Uani 1 2 d S T P . .
 O1 O 0.2708(6) 0.3467(6) 0.2765(3) 0.050(3) Uani 0.838(2) 1 d . U P C .
 O10 O 0.1112(5) 0.1960(6) 0.3440(3) 0.061(3) Uani 1 1 d . . . . .
 O14 O 0.2823(6) 0.3742(5) 0.4161(3) 0.063(3) Uani 1 1 d . . . . .
 O11 O 0.2322(6) 0.1327(5) 0.3484(3) 0.063(3) Uani 1 1 d . . . . .
 O2 O 0.1525(6) 0.2718(6) 0.2748(3) 0.051(3) Uani 0.838(2) 1 d . . P C .
 O8 O 0.2182(6) 0.4183(5) 0.3455(3) 0.065(3) Uani 1 1 d . . . . .
 O16 O 0.1143(5) 0.2781(5) 0.4147(3) 0.058(3) Uani 1 1 d . . . . .
 O31 O 0.3991(5) 0.1794(6) 0.4613(3) 0.069(3) Uani 1 1 d . . . . .
 O20 O 0.2955(7) 0.5033(7) 0.3917(3) 0.086(4) Uani 1 1 d . . . . .
 O22 O -0.0027(6) 0.2146(7) 0.3884(3) 0.082(4) Uani 1 1 d . . . . .
 O21 O 0.1647(8) 0.5227(6) 0.3911(3) 0.088(4) Uani 1 1 d . . . . .
 O34 O 0.2992(7) 0.2344(7) 0.500000 0.054(4) Uani 1 2 d S T P . .
 O12 O 0.3604(6) 0.2133(6) 0.3456(3) 0.073(3) Uani 1 1 d . . . . .
 O3 O 0.2747(7) 0.2089(6) 0.2761(3) 0.062(3) Uani 0.838(2) 1 d . . P . .
 O15 O 0.1495(8) 0.3893(7) 0.4157(3) 0.099(5) Uani 1 1 d . . . . .
 O18 O 0.2909(6) 0.1721(8) 0.4156(3) 0.086(4) Uani 1 1 d . . . . .
 O17 O 0.1751(6) 0.1629(6) 0.4178(3) 0.068(3) Uani 1 1 d . . . . .
 O25 O 0.4747(7) 0.2195(9) 0.3921(4) 0.104(5) Uani 1 1 d . . . . .
 O23 O 0.0568(8) 0.0974(7) 0.3909(4) 0.098(5) Uani 1 1 d . . . . .
 O19 O 0.3557(7) 0.2825(7) 0.4185(3) 0.091(4) Uani 1 1 d . . . . .
 Mo4 Mo 0.1646(6) 0.2834(5) 0.3093(2) 0.072(3) Uani 0.162(2) 1 d D U P C .
 Mo6 Mo 0.2727(6) 0.2200(5) 0.3098(2) 0.071(3) Uani 0.162(2) 1 d D U P C .
 P5 P 0.0863(8) 0.2186(10) 0.500000 0.044(5) Uani 0.56(4) 2 d S T P A 1
 H5 H 0.052990 0.278746 0.500000 0.053 Uiso 0.56(4) 2 d R U P A 1
 P6 P 0.1084(9) 0.1802(14) 0.500000 0.041(6) Uani 0.44(4) 2 d S T P A 2
 H6 H 0.140979 0.119557 0.500000 0.049 Uiso 0.44(4) 2 d R U P A 2
 P8 P 0.3759(8) 0.2216(13) 0.500000 0.037(5) Uani 0.50(5) 2 d S T P B 1
 H8 H 0.408535 0.282104 0.500000 0.045 Uiso 0.50(5) 2 d R U P B 1
 P7 P 0.3545(13) 0.182(2) 0.500000 0.059(9) Uani 0.50(5) 2 d S T P B 2
 H7 H 0.320943 0.122332 0.500000 0.071 Uiso 0.50(5) 2 d R U P B 2
 N2 N 0.3892(7) 0.2861(8) 0.2703(4) 0.066(4) Uani 0.838(2) 1 d D U P C -1
 C6 C 0.4513(8) 0.2891(8) 0.2848(5) 0.067(5) Uani 0.838(2) 1 d D U P C -1
 H6A H 0.458612 0.285442 0.314056 0.081 Uiso 0.838(2) 1 calc R U P C -1
 C7 C 0.5049(8) 0.2973(10) 0.2583(5) 0.076(5) Uani 0.838(2) 1 d D U P C -1
 H7A H 0.547582 0.298477 0.269445 0.091 Uiso 0.838(2) 1 calc R U P C -1
 C8 C 0.4949(8) 0.3037(11) 0.2155(5) 0.080(6) Uani 0.838(2) 1 d D U P C -1
 H8A H 0.530462 0.310750 0.197203 0.095 Uiso 0.838(2) 1 calc R U P C -1
 C9 C 0.4320(9) 0.2996(12) 0.1997(5) 0.087(6) Uani 0.838(2) 1 d D U P C -1
 H9 H 0.424285 0.302173 0.170391 0.105 Uiso 0.838(2) 1 calc R U P C -1
 C10 C 0.3802(8) 0.2917(11) 0.2277(4) 0.076(5) Uani 0.838(2) 1 d D U P C -1
 H10 H 0.337325 0.290224 0.216975 0.091 Uiso 0.838(2) 1 calc R U P C -1
 N1 N 0.1511(7) 0.4067(7) 0.2661(4) 0.054(3) Uani 0.838(2) 1 d D U P C -1
 C5 C 0.1617(8) 0.3989(8) 0.2239(4) 0.062(4) Uani 0.838(2) 1 d D U P C -1
 H5A H 0.187561 0.363489 0.214748 0.075 Uiso 0.838(2) 1 calc R U P C -1
 C4 C 0.1358(8) 0.4414(8) 0.1937(4) 0.066(5) Uani 0.838(2) 1 d D U P C -1
 H4A H 0.143725 0.434707 0.164735 0.079 Uiso 0.838(2) 1 calc R U P C -1
 C3 C 0.0987(11) 0.4931(9) 0.2071(5) 0.080(6) Uani 0.838(2) 1 d D U P C -1
 H3A H 0.081220 0.522825 0.187439 0.096 Uiso 0.838(2) 1 calc R U P C -1
 C2 C 0.0869(12) 0.5013(10) 0.2497(5) 0.095(7) Uani 0.838(2) 1 d D U P C -1
 H2A H 0.060519 0.536034 0.259181 0.114 Uiso 0.838(2) 1 calc R U P C -1
 C1 C 0.1146(10) 0.4577(9) 0.2784(5) 0.074(5) Uani 0.838(2) 1 d D U P C -1
 H1A H 0.107423 0.464361 0.307476 0.089 Uiso 0.838(2) 1 calc R U P C -1
 N3 N 0.1627(7) 0.1336(7) 0.2674(4) 0.057(3) Uani 0.838(2) 1 d D U P C -1
 C11 C 0.1406(8) 0.0764(7) 0.2826(5) 0.062(4) Uani 0.838(2) 1 d D U P C -1
 H11 H 0.135952 0.071403 0.311990 0.074 Uiso 0.838(2) 1 calc R U P C -1
 C12 C 0.1244(10) 0.0243(8) 0.2564(5) 0.087(6) Uani 0.838(2) 1 d D U P C -1
 H12 H 0.109367 -0.015533 0.267634 0.104 Uiso 0.838(2) 1 calc R U P C -1
 C13 C 0.1310(12) 0.0328(9) 0.2133(5) 0.090(6) Uani 0.838(2) 1 d D U P C -1
 H13 H 0.120628 -0.001745 0.194774 0.108 Uiso 0.838(2) 1 calc R U P C -1
 C14 C 0.1523(11) 0.0907(9) 0.1976(5) 0.081(5) Uani 0.838(2) 1 d D U P C -1
 H14 H 0.155812 0.096838 0.168251 0.098 Uiso 0.838(2) 1 calc R U P C -1
 C15 C 0.1689(9) 0.1410(8) 0.2253(4) 0.067(4) Uani 0.838(2) 1 d D U P C -1
 H15 H 0.184782 0.180808 0.214414 0.080 Uiso 0.838(2) 1 calc R U P C -1
 O24 O 0.4058(8) 0.1083(8) 0.3894(4) 0.101(5) Uani 1 1 d . U . . .
 O26 O 0.0385(19) 0.3737(19) 0.4055(11) 0.117(12) Uani 0.473(17) 1 d . U P . .
 O27 O 0.2348(18) 0.0592(17) 0.4114(9) 0.065(10) Uani 0.329(16) 1 d . U P . .
 O28 O 0.403(3) 0.393(4) 0.413(2) 0.10(2) Uani 0.198(17) 1 d . U P . .
 N4 N 0.077(2) 0.290(4) 0.2665(17) 0.070(13) Uani 0.162(2) 1 d D U P C -1
 C16 C 0.014(3) 0.297(4) 0.2802(16) 0.071(14) Uani 0.162(2) 1 d D U P C -1
 H16 H 0.005226 0.294822 0.309316 0.085 Uiso 0.162(2) 1 calc R U P C -1
 C17 C -0.038(2) 0.307(4) 0.252(2) 0.068(14) Uani 0.162(2) 1 d D U P C -1
 H17 H -0.080670 0.311135 0.262045 0.081 Uiso 0.162(2) 1 calc R U P C -1
 C18 C -0.024(3) 0.310(5) 0.2094(18) 0.067(14) Uani 0.162(2) 1 d D U P C -1
 H18 H -0.058819 0.317630 0.190219 0.081 Uiso 0.162(2) 1 calc R U P C -1
 C19 C 0.039(3) 0.303(4) 0.1948(14) 0.059(13) Uani 0.162(2) 1 d D U P C -1
 H19 H 0.047757 0.303008 0.165606 0.071 Uiso 0.162(2) 1 calc R U P C -1
 C20 C 0.089(2) 0.295(4) 0.2242(19) 0.069(13) Uani 0.162(2) 1 d D U P C -1
 H20 H 0.132439 0.292391 0.214512 0.082 Uiso 0.162(2) 1 calc R U P C -1
 N5 N 0.308(5) 0.422(4) 0.272(3) 0.13(3) Uani 0.162(2) 1 d D U P C -1
 C25 C 0.308(5) 0.409(4) 0.230(4) 0.13(3) Uani 0.162(2) 1 d D U P C -1
 H25 H 0.287946 0.370881 0.219476 0.160 Uiso 0.162(2) 1 calc R U P C -1
 C24 C 0.337(6) 0.453(6) 0.201(2) 0.13(3) Uani 0.162(2) 1 d D U P C -1
 H24 H 0.336577 0.444186 0.171928 0.161 Uiso 0.162(2) 1 calc R U P C -1
 C23 C 0.365(5) 0.509(5) 0.217(3) 0.14(3) Uani 0.162(2) 1 d D U P C -1
 H23 H 0.385184 0.538977 0.197752 0.162 Uiso 0.162(2) 1 calc R U P C -1
 C22 C 0.365(6) 0.522(4) 0.259(4) 0.13(3) Uani 0.162(2) 1 d D U P C -1
 H22 H 0.384202 0.560975 0.269777 0.161 Uiso 0.162(2) 1 calc R U P C -1
 C21 C 0.336(6) 0.478(5) 0.287(2) 0.13(3) Uani 0.162(2) 1 d D U P C -1
 H21 H 0.335316 0.486186 0.316100 0.158 Uiso 0.162(2) 1 calc R U P C -1
 N6 N 0.306(5) 0.140(4) 0.267(3) 0.11(2) Uani 0.162(2) 1 d D U P C -1
 C26 C 0.322(5) 0.079(4) 0.280(2) 0.11(2) Uani 0.162(2) 1 d D U P C -1
 H26 H 0.318342 0.069362 0.309426 0.133 Uiso 0.162(2) 1 calc R U P C -1
 C27 C 0.344(5) 0.031(3) 0.253(3) 0.11(2) Uani 0.162(2) 1 d D U P C -1
 H27 H 0.354533 -0.011066 0.263002 0.134 Uiso 0.162(2) 1 calc R U P C -1
 C28 C 0.350(5) 0.045(4) 0.210(3) 0.11(2) Uani 0.162(2) 1 d D U P C -1
 H28 H 0.364163 0.013371 0.191218 0.133 Uiso 0.162(2) 1 calc R U P C -1
 C29 C 0.334(6) 0.107(5) 0.196(2) 0.12(2) Uani 0.162(2) 1 d D U P C -1
 H29 H 0.336750 0.117663 0.167233 0.138 Uiso 0.162(2) 1 calc R U P C -1
 C30 C 0.313(5) 0.154(3) 0.225(3) 0.12(2) Uani 0.162(2) 1 d D U P C -1
 H30 H 0.302488 0.196796 0.215197 0.140 Uiso 0.162(2) 1 calc R U P C -1
 N10 N 0.289(4) 0.663(3) 0.5377(18) 0.075(15) Uani 0.1565 1 d D U P D -1
 H10A H 0.282235 0.671199 0.564283 0.090 Uiso 0.1565 1 calc R U P D -1
 C46 C 0.318(3) 0.606(3) 0.526(2) 0.070(15) Uani 0.1565 1 d D U P D -1
 H46 H 0.329177 0.575470 0.547257 0.084 Uiso 0.1565 1 calc R U P D -1
 C47 C 0.329(3) 0.592(3) 0.484(2) 0.069(15) Uani 0.1565 1 d D U P D -1
 H47 H 0.349877 0.552789 0.475800 0.082 Uiso 0.1565 1 calc R U P D -1
 C48 C 0.311(4) 0.637(3) 0.4539(18) 0.063(15) Uani 0.1565 1 d D U P D -1
 H48 H 0.315847 0.627610 0.425017 0.075 Uiso 0.1565 1 calc R U P D -1
 C49 C 0.284(4) 0.697(3) 0.4657(18) 0.070(15) Uani 0.1565 1 d D U P D -1
 H49 H 0.274159 0.728492 0.445200 0.084 Uiso 0.1565 1 calc R U P D -1
 C50 C 0.272(3) 0.709(3) 0.5084(19) 0.072(15) Uani 0.1565 1 d D U P D -1
 H50 H 0.251926 0.748164 0.516893 0.086 Uiso 0.1565 1 calc R U P D -1
 N8 N -0.141(2) 0.389(2) 0.5147(14) 0.060(11) Uani 0.2083 1 d D U P E -1
 H8B H -0.168049 0.418248 0.524077 0.072 Uiso 0.2083 1 calc R U P E -1
 C40 C -0.127(2) 0.387(2) 0.4731(14) 0.064(12) Uani 0.2083 1 d D U P E -1
 H40 H -0.145866 0.417443 0.454593 0.077 Uiso 0.2083 1 calc R U P E -1
 C39 C -0.084(3) 0.340(3) 0.4575(13) 0.066(12) Uani 0.2083 1 d D U P E -1
 H39 H -0.074622 0.337774 0.428447 0.079 Uiso 0.2083 1 calc R U P E -1
 C38 C -0.056(3) 0.296(2) 0.4851(15) 0.066(12) Uani 0.2083 1 d D U P E -1
 H38 H -0.024729 0.266052 0.475148 0.079 Uiso 0.2083 1 calc R U P E -1
 C37 C -0.072(3) 0.297(2) 0.5273(15) 0.058(11) Uani 0.2083 1 d D U P E -1
 H37 H -0.054986 0.265704 0.545958 0.070 Uiso 0.2083 1 calc R U P E -1
 C36 C -0.115(3) 0.345(2) 0.5420(13) 0.050(11) Uani 0.2083 1 d D U P E -1
 H36 H -0.125407 0.347471 0.570964 0.061 Uiso 0.2083 1 calc R U P E -1
 N9 N -0.013(2) 0.508(3) 0.4573(13) 0.053(11) Uani 0.2083 1 d D U P F -1
 H9A H -0.015887 0.521366 0.431161 0.064 Uiso 0.2083 1 calc R U P F -1
 C45 C 0.041(2) 0.474(3) 0.4698(13) 0.048(12) Uani 0.2083 1 d D U P F -1
 H45 H 0.074970 0.466575 0.450601 0.058 Uiso 0.2083 1 calc R U P F -1
 C44 C 0.045(2) 0.451(2) 0.5113(13) 0.054(12) Uani 0.2083 1 d D U P F -1
 H44 H 0.081762 0.427768 0.520436 0.065 Uiso 0.2083 1 calc R U P F -1
 C43 C -0.007(3) 0.464(3) 0.5385(14) 0.063(12) Uani 0.2083 1 d D U P F -1
 H43 H -0.003551 0.449764 0.566827 0.075 Uiso 0.2083 1 calc R U P F -1
 C42 C -0.062(3) 0.496(3) 0.5251(17) 0.069(12) Uani 0.2083 1 d D U P F -1
 H42 H -0.098878 0.500040 0.542957 0.083 Uiso 0.2083 1 calc R U P F -1
 C41 C -0.063(2) 0.522(3) 0.4841(15) 0.060(13) Uani 0.2083 1 d D U P F -1
 H41 H -0.098024 0.549125 0.475325 0.072 Uiso 0.2083 1 calc R U P F -1
 N11 N 0.059(3) -0.084(2) 0.5100(16) 0.068(14) Uani 0.1667 1 d D U P G -1
 H11A H 0.039115 -0.119409 0.517012 0.081 Uiso 0.1667 1 calc R U P G -1
 C55 C 0.076(3) -0.073(3) 0.4691(16) 0.070(14) Uani 0.1667 1 d D U P G -1
 H55 H 0.064348 -0.104426 0.448467 0.084 Uiso 0.1667 1 calc R U P G -1
 C54 C 0.109(4) -0.016(3) 0.4574(15) 0.070(14) Uani 0.1667 1 d D U P G -1
 H54 H 0.120238 -0.008666 0.428971 0.084 Uiso 0.1667 1 calc R U P G -1
 C53 C 0.125(3) 0.029(3) 0.4883(17) 0.065(14) Uani 0.1667 1 d D U P G -1
 H53 H 0.147049 0.067184 0.480849 0.078 Uiso 0.1667 1 calc R U P G -1
 C52 C 0.108(4) 0.018(3) 0.5298(16) 0.064(14) Uani 0.1667 1 d D U P G -1
 H52 H 0.119320 0.048525 0.550847 0.077 Uiso 0.1667 1 calc R U P G -1
 C51 C 0.074(4) -0.039(3) 0.5403(15) 0.066(14) Uani 0.1667 1 d D U P G -1
 H51 H 0.061597 -0.046790 0.568458 0.080 Uiso 0.1667 1 calc R U P G -1
 N12 N 0.454(5) 0.049(5) 0.511(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H12A H 0.437416 0.086260 0.519194 0.075 Uiso 0.0833 1 calc R U P H -1
 C56 C 0.471(6) 0.040(5) 0.470(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H56 H 0.464657 0.074123 0.450655 0.076 Uiso 0.0833 1 calc R U P H -1
 C57 C 0.498(7) -0.019(5) 0.457(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H57 H 0.509579 -0.025640 0.428439 0.072 Uiso 0.0833 1 calc R U P H -1
 C58 C 0.506(7) -0.069(4) 0.486(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H58 H 0.522649 -0.109365 0.477352 0.071 Uiso 0.0833 1 calc R U P H -1
 C59 C 0.489(7) -0.059(5) 0.528(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H59 H 0.496000 -0.092705 0.547765 0.072 Uiso 0.0833 1 calc R U P H -1
 C60 C 0.463(7) 0.001(6) 0.540(3) 0.06(2) Uani 0.0833 1 d D U P H -1
 H60 H 0.450953 0.007748 0.568547 0.071 Uiso 0.0833 1 calc R U P H -1
 O5 O 0.2024(14) 0.354(2) 0.2774(8) 0.066(18) Uani 0.162(2) 1 d D U P . .
 O4 O 0.315(2) 0.2828(12) 0.2780(8) 0.073(19) Uani 0.162(2) 1 d D U P . .
 O6 O 0.1842(16) 0.2176(17) 0.2793(8) 0.13(4) Uani 0.162(2) 1 d D U P . .
 O48 O -0.0408(11) 0.4475(11) 0.3560(6) 0.177(9) Uani 1 1 d . U . . .
 H48A H -0.016135 0.423231 0.371463 0.266 Uiso 1 1 d R U . . .
 H48B H -0.066153 0.411935 0.352313 0.266 Uiso 1 1 d R U . . .
 O35 O 0.2441(11) 0.2874(12) 0.1469(5) 0.178(9) Uani 1 1 d . U . . .
 H35A H 0.273015 0.257418 0.143041 0.266 Uiso 1 1 d R U . . .
 H35B H 0.207395 0.268358 0.142011 0.266 Uiso 1 1 d R U . . .
 H35C H 0.270035 0.290600 0.124841 0.266 Uiso 1 1 d R U . . .
 O36 O 0.3110(17) 0.4211(19) 0.1348(11) 0.144(14) Uani 0.5 1 d . U P . .
 H36A H 0.295601 0.428892 0.109467 0.216 Uiso 0.5 1 d R U P . .
 H36B H 0.292606 0.456070 0.125375 0.216 Uiso 0.5 1 d R U P . .
 H36C H 0.295162 0.381101 0.133539 0.216 Uiso 0.5 1 d R U P . .
 O41 O -0.053(2) 0.0258(18) 0.3609(13) 0.154(15) Uani 0.5 1 d . U P . .
 H41A H -0.015500 0.006858 0.360910 0.231 Uiso 0.5 1 d R U P . .
 H41B H -0.045370 0.064458 0.351410 0.231 Uiso 0.5 1 d R U P . .
 O40 O 0.044(2) 0.176(2) 0.1293(14) 0.180(18) Uani 0.5 1 d . U P . .
 H40A H 0.013541 0.148981 0.123292 0.270 Uiso 0.5 1 d R U P . .
 H40B H 0.067660 0.145756 0.140020 0.270 Uiso 0.5 1 d R U P . .
 O37 O 0.340(2) 0.188(3) 0.1341(16) 0.143(18) Uani 0.375 1 d . U P . .
 H37A H 0.326514 0.149075 0.138305 0.215 Uiso 0.375 1 d R U P . .
 H37B H 0.380834 0.183406 0.127095 0.215 Uiso 0.375 1 d R U P . .
 O44 O 0.296(8) 0.029(7) 0.500000 0.20(6) Uani 0.25 2 d S TU P . .
 H44A H 0.276015 0.035454 0.476390 0.306 Uiso 0.125 1 d R U P . .
 H44B H 0.335015 0.015574 0.495190 0.306 Uiso 0.125 1 d R U P . .
 O46 O 0.560(3) 0.243(4) 0.4753(19) 0.20(3) Uani 0.375 1 d . U P . .
 H46A H 0.535861 0.220409 0.458299 0.303 Uiso 0.375 1 d R U P . .
 H46B H 0.594733 0.251169 0.461089 0.303 Uiso 0.375 1 d R U P . .
 O43 O 0.439(3) 0.555(3) 0.382(2) 0.20(3) Uani 0.375 1 d . U P . .
 H43A H 0.468348 0.551945 0.362617 0.303 Uiso 0.375 1 d R U P . .
 H43B H 0.435910 0.516515 0.392367 0.303 Uiso 0.375 1 d R U P . .
 O38 O 0.309(2) 0.093(3) 0.1440(18) 0.150(19) Uani 0.375 1 d . U P . .
 H38A H 0.278493 0.084515 0.126227 0.226 Uiso 0.375 1 d R U P . .
 H38B H 0.290154 0.091215 0.168277 0.226 Uiso 0.375 1 d R U P . .
 O47 O 0.466(7) 0.410(7) 0.500000 0.19(6) Uani 0.25 2 d S TU P . .
 H47A H 0.450251 0.406525 0.474930 0.283 Uiso 0.125 1 d R U P . .
 H47B H 0.433300 0.403117 0.516430 0.283 Uiso 0.125 1 d R U P . .
 O39 O 0.107(4) 0.266(3) 0.138(2) 0.20(3) Uani 0.375 1 d . U P . .
 H39A H 0.096260 0.289846 0.116266 0.299 Uiso 0.375 1 d R U P . .
 H40C H 0.078819 0.234714 0.132913 0.299 Uiso 0.375 1 d R U P . .
 O42 O 0.483(4) 0.460(3) 0.333(2) 0.21(3) Uani 0.375 1 d . U P . .
 H42A H 0.499716 0.423985 0.341755 0.319 Uiso 0.375 1 d R U P . .
 H42B H 0.482676 0.460805 0.305905 0.319 Uiso 0.375 1 d R U P . .
 O49 O 0.360(5) -0.032(5) 0.406(3) 0.19(4) Uani 0.25 1 d . U P . .
 H49A H 0.330013 -0.054617 0.393805 0.286 Uiso 0.25 1 d R U P . .
 H49B H 0.358263 0.005653 0.393695 0.286 Uiso 0.25 1 d R U P . .
 O45 O 0.591(6) 0.169(6) 0.460(4) 0.23(5) Uani 0.25 1 d . U P . .
 H45A H 0.591497 0.169003 0.487174 0.341 Uiso 0.25 1 d R U P . .
 H45B H 0.575737 0.206583 0.453204 0.341 Uiso 0.25 1 d R U P . .
 N7 N 0.2963(15) -0.0149(15) 0.2292(11) 0.143(10) Uani 0.6768 1 d D U P . .
 H7B H 0.281449 -0.044968 0.212274 0.172 Uiso 0.6768 1 calc R U P . .
 C31 C 0.2958(14) -0.0296(14) 0.2704(12) 0.132(10) Uani 0.6768 1 d D U P . .
 H31 H 0.281441 -0.070605 0.280204 0.158 Uiso 0.6768 1 calc R U P . .
 C32 C 0.3180(19) 0.0195(17) 0.2987(9) 0.139(10) Uani 0.6768 1 d D U P . .
 H32 H 0.318788 0.012301 0.328055 0.167 Uiso 0.6768 1 calc R U P . .
 C33 C 0.3383(18) 0.0785(15) 0.2816(11) 0.132(10) Uani 0.6768 1 d D U P . .
 H33 H 0.353872 0.111307 0.299858 0.158 Uiso 0.6768 1 calc R U P . .
 C34 C 0.3366(18) 0.0909(14) 0.2387(11) 0.140(10) Uani 0.6768 1 d D U P . .
 H34 H 0.348484 0.132311 0.228253 0.168 Uiso 0.6768 1 calc R U P . .
 C35 C 0.3169(19) 0.0409(18) 0.2107(9) 0.144(11) Uani 0.6768 1 d D U P . .
 H35 H 0.318098 0.046180 0.181193 0.172 Uiso 0.677 1 calc R U P . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Gd1 P1 3.297(4) . ?
 Gd1 P3 3.194(5) . ?
 Gd1 P2 3.175(4) . ?
 Gd1 O32 2.489(9) . ?
 Gd1 O7 2.565(8) . ?
 Gd1 O33 2.446(9) . ?
 Gd1 O14 2.444(11) . ?
 Gd1 O16 2.449(11) . ?
 Gd1 O34 2.464(9) . ?
 Gd1 O18 2.514(14) . ?
 Gd1 O17 2.567(12) . ?
 Gd1 O19 2.667(15) . ?
 Mo8 O30 2.074(9) . ?
 Mo8 O10 1.805(10) . ?
 Mo8 O16 2.248(11) . ?
 Mo8 O22 1.674(13) . ?
 Mo8 O17 2.232(11) . ?
 Mo8 O23 1.697(13) . ?
 Mo7 O29 2.058(9) . ?
 Mo7 O14 2.229(11) . ?
 Mo7 O8 1.812(9) . ?
 Mo7 O20 1.682(15) . ?
 Mo7 O21 1.711(13) . ?
 Mo7 O15 2.183(12) . ?
 Mo1 Mo3 2.534(2) . ?
 Mo1 Mo2 2.504(2) . ?
 Mo1 O9 2.099(10) . ?
 Mo1 O7 2.064(8) . ?
 Mo1 O1 1.912(11) . ?
 Mo1 O2 1.936(11) . ?
 Mo1 O8 2.019(11) . ?
 Mo1 Mo4 1.231(12) . ?
 Mo1 N1 2.189(12) . ?
 Mo3 Mo2 2.520(2) . ?
 Mo3 O7 2.058(8) . ?
 Mo3 O10 2.052(11) . ?
 Mo3 O11 2.070(11) . ?
 Mo3 O2 1.927(11) . ?
 Mo3 O3 1.904(12) . ?
 Mo3 N3 2.220(13) . ?
 Mo9 O31 2.062(9) . ?
 Mo9 O12 1.801(10) . ?
 Mo9 O18 2.253(13) . ?
 Mo9 O25 1.699(16) . ?
 Mo9 O19 2.201(13) . ?
 Mo9 O24 1.634(16) . ?
 Mo2 O7 2.051(9) . ?
 Mo2 O13 2.122(11) . ?
 Mo2 O1 1.908(11) . ?
 Mo2 O12 2.024(11) . ?
 Mo2 O3 1.912(13) . ?
 Mo2 N2 2.192(13) . ?
 P4 H4 1.3894 . ?
 P4 O32 1.535(14) . ?
 P4 O29 1.521(10) . ?
 P4 O29 1.521(10) 6_556 ?
 P1 H1 1.3899 . ?
 P1 O9 1.525(9) . ?
 P1 O16 1.510(11) . ?
 P1 O15 1.490(13) . ?
 P1 O26 1.42(4) . ?
 P3 H3 1.3868 . ?
 P3 O13 1.520(10) . ?
 P3 O14 1.534(12) . ?
 P3 O19 1.521(14) . ?
 P3 O28 1.44(8) . ?
 P2 H2 1.3908 . ?
 P2 O11 1.518(10) . ?
 P2 O18 1.516(14) . ?
 P2 O17 1.522(12) . ?
 P2 O27 1.52(3) . ?
 O9 Mo4 2.075(13) . ?
 O30 P5 1.530(12) . ?
 O30 P6 1.537(14) . ?
 O7 Mo5 2.151(13) . ?
 O7 Mo4 2.051(12) . ?
 O7 Mo6 2.074(11) . ?
 Mo5 O13 2.129(15) . ?
 Mo5 O8 2.190(14) . ?
 Mo5 Mo4 2.414(18) . ?
 Mo5 Mo6 2.425(14) . ?
 Mo5 N5 2.20(2) . ?
 Mo5 O5 1.73(2) . ?
 Mo5 O4 1.79(2) . ?
 O33 P5 1.517(18) . ?
 O33 P6 1.50(2) . ?
 O10 Mo4 2.335(16) . ?
 O11 Mo6 2.289(15) . ?
 O31 P8 1.554(16) . ?
 O31 P7 1.511(18) . ?
 O34 P8 1.570(19) . ?
 O34 P7 1.53(2) . ?
 O12 Mo6 2.102(15) . ?
 Mo4 Mo6 2.531(14) . ?
 Mo4 N4 2.22(2) . ?
 Mo4 O5 1.906(19) . ?
 Mo4 O6 1.68(2) . ?
 Mo6 N6 2.21(2) . ?
 Mo6 O4 1.83(2) . ?
 Mo6 O6 2.03(2) . ?
 P5 H5 1.3886 . ?
 P6 H6 1.3912 . ?
 P8 H8 1.3891 . ?
 P7 H7 1.3899 . ?
 N2 C6 1.335(15) . ?
 N2 C10 1.348(14) . ?
 C6 H6A 0.9300 . ?
 C6 C7 1.374(15) . ?
 C7 H7A 0.9300 . ?
 C7 C8 1.359(16) . ?
 C8 H8A 0.9300 . ?
 C8 C9 1.366(16) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.375(15) . ?
 C10 H10 0.9300 . ?
 N1 C5 1.347(14) . ?
 N1 C1 1.324(15) . ?
 C5 H5A 0.9300 . ?
 C5 C4 1.380(15) . ?
 C4 H4A 0.9300 . ?
 C4 C3 1.352(16) . ?
 C3 H3A 0.9300 . ?
 C3 C2 1.361(16) . ?
 C2 H2A 0.9300 . ?
 C2 C1 1.377(15) . ?
 C1 H1A 0.9300 . ?
 N3 C11 1.326(15) . ?
 N3 C15 1.332(14) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.374(15) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.365(16) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.339(16) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.377(15) . ?
 C15 H15 0.9300 . ?
 O26 H1 0.1667 . ?
 O27 H2 0.1649 . ?
 O28 H3 0.1293 . ?
 N4 C16 1.354(19) . ?
 N4 C20 1.346(19) . ?
 N4 H7B 0.95(7) 8_556 ?
 C16 H16 0.9300 . ?
 C16 C17 1.379(19) . ?
 C16 H7B 0.74(7) 8_556 ?
 C17 H17 0.9300 . ?
 C17 C18 1.360(19) . ?
 C18 H18 0.9300 . ?
 C18 C19 1.366(19) . ?
 C18 H32 1.21(7) 8_556 ?
 C19 H19 0.9300 . ?
 C19 C20 1.380(19) . ?
 C19 H32 1.30(6) 8_556 ?
 C20 H20 0.9300 . ?
 N5 C25 1.343(19) . ?
 N5 C21 1.339(19) . ?
 C25 H25 0.9300 . ?
 C25 C24 1.382(19) . ?
 C24 H24 0.9300 . ?
 C24 C23 1.363(19) . ?
 C23 H23 0.9300 . ?
 C23 C22 1.364(19) . ?
 C22 H22 0.9300 . ?
 C22 C21 1.381(19) . ?
 C21 H21 0.9300 . ?
 N6 C26 1.346(19) . ?
 N6 C30 1.347(19) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.374(14) . ?
 C27 H27 0.9300 . ?
 C27 C28 1.368(13) . ?
 C28 H28 0.9300 . ?
 C28 C29 1.367(13) . ?
 C29 H29 0.9300 . ?
 C29 C30 1.374(14) . ?
 C29 H38B 1.2780 . ?
 C30 H30 0.9300 . ?
 N10 H10A 0.8600 . ?
 N10 C46 1.335(19) . ?
 N10 C50 1.344(19) . ?
 C46 H46 0.9300 . ?
 C46 C47 1.382(19) . ?
 C47 H47 0.9300 . ?
 C47 C48 1.362(19) . ?
 C48 H48 0.9300 . ?
 C48 C49 1.363(19) . ?
 C49 H49 0.9300 . ?
 C49 C50 1.381(19) . ?
 C50 H50 0.9300 . ?
 N8 H8B 0.8600 . ?
 N8 C40 1.334(19) . ?
 N8 C36 1.334(19) . ?
 C40 H40 0.9300 . ?
 C40 C39 1.373(19) . ?
 C39 H39 0.9300 . ?
 C39 C38 1.357(19) . ?
 C38 H38 0.9300 . ?
 C38 C37 1.363(19) . ?
 C37 H37 0.9300 . ?
 C37 C36 1.377(19) . ?
 C36 H36 0.9300 . ?
 N9 H9A 0.8600 . ?
 N9 C45 1.344(19) . ?
 N9 C41 1.342(19) . ?
 C45 H45 0.9300 . ?
 C45 C44 1.383(18) . ?
 C44 H44 0.9300 . ?
 C44 C43 1.365(19) . ?
 C43 H43 0.9300 . ?
 C43 C42 1.368(19) . ?
 C42 H42 0.9300 . ?
 C42 C41 1.388(19) . ?
 C41 H41 0.9300 . ?
 N11 H11A 0.8600 . ?
 N11 C55 1.338(19) . ?
 N11 C51 1.338(19) . ?
 C55 H55 0.9300 . ?
 C55 C54 1.382(19) . ?
 C54 H54 0.9300 . ?
 C54 C53 1.364(19) . ?
 C53 H53 0.9300 . ?
 C53 C52 1.360(19) . ?
 C52 H52 0.9300 . ?
 C52 C51 1.380(19) . ?
 C51 H51 0.9300 . ?
 N12 H12A 0.8600 . ?
 N12 C56 1.341(19) . ?
 N12 C60 1.340(19) . ?
 C56 H56 0.9300 . ?
 C56 C57 1.380(19) . ?
 C57 H57 0.9300 . ?
 C57 C58 1.362(19) . ?
 C58 H58 0.9300 . ?
 C58 C59 1.361(19) . ?
 C59 H59 0.9300 . ?
 C59 C60 1.381(19) . ?
 C60 H60 0.9300 . ?
 O48 H48A 0.8496 . ?
 O48 H48B 0.8891 . ?
 O35 H35A 0.8501 . ?
 O35 H35B 0.8501 . ?
 O35 H35C 0.8683 . ?
 O36 H36A 0.8663 . ?
 O36 H36B 0.8502 . ?
 O36 H36C 0.8700 . ?
 O41 H41A 0.8497 . ?
 O41 H41B 0.8500 . ?
 O40 H40A 0.8480 . ?
 O40 H40B 0.8500 . ?
 O40 H40C 1.3774 . ?
 O37 H37A 0.8501 . ?
 O37 H37B 0.8503 . ?
 O44 H44A 0.8501 6_556 ?
 O44 H44A 0.8501 . ?
 O44 H44B 0.8500 . ?
 O44 H44B 0.8500 6_556 ?
 O46 H46A 0.8498 . ?
 O46 H46B 0.8500 . ?
 O46 H45B 1.0542 . ?
 O43 H43A 0.8503 . ?
 O43 H43B 0.8499 . ?
 O38 H37A 1.1938 . ?
 O38 H38A 0.8498 . ?
 O38 H38B 0.8493 . ?
 O47 H47A 0.8501 . ?
 O47 H47A 0.8501 6_556 ?
 O47 H47B 0.8502 6_556 ?
 O47 H47B 0.8502 . ?
 O39 H39A 0.8504 . ?
 O39 H40C 0.8590 . ?
 O42 H42A 0.8505 . ?
 O42 H42B 0.8507 . ?
 O49 H49A 0.8497 . ?
 O49 H49B 0.8506 . ?
 O45 H45A 0.8496 . ?
 O45 H45B 0.8501 . ?
 N7 H7B 0.8600 . ?
 N7 C31 1.323(18) . ?
 N7 C35 1.334(18) . ?
 C31 H31 0.9300 . ?
 C31 C32 1.402(18) . ?
 C32 H32 0.9300 . ?
 C32 C33 1.368(18) . ?
 C33 H33 0.9300 . ?
 C33 C34 1.365(18) . ?
 C34 H34 0.9300 . ?
 C34 C35 1.393(18) . ?
 C35 H35 0.9300 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 P3 Gd1 P1 101.65(11) . . ?
 P2 Gd1 P1 104.07(11) . . ?
 P2 Gd1 P3 103.83(13) . . ?
 O32 Gd1 P1 90.7(3) . . ?
 O32 Gd1 P3 89.5(3) . . ?
 O32 Gd1 P2 157.4(2) . . ?
 O32 Gd1 O7 137.0(3) . . ?
 O32 Gd1 O18 141.4(4) . . ?
 O32 Gd1 O17 140.7(4) . . ?
 O32 Gd1 O19 99.5(4) . . ?
 O7 Gd1 P1 64.5(2) . . ?
 O7 Gd1 P3 64.4(2) . . ?
 O7 Gd1 P2 65.6(2) . . ?
 O7 Gd1 O17 75.3(3) . . ?
 O7 Gd1 O19 73.8(3) . . ?
 O33 Gd1 P1 91.6(3) . . ?
 O33 Gd1 P3 154.7(2) . . ?
 O33 Gd1 P2 93.5(3) . . ?
 O33 Gd1 O32 68.7(4) . . ?
 O33 Gd1 O7 140.8(3) . . ?
 O33 Gd1 O16 74.4(3) . . ?
 O33 Gd1 O34 70.0(4) . . ?
 O33 Gd1 O18 105.2(4) . . ?
 O33 Gd1 O17 72.3(3) . . ?
 O33 Gd1 O19 140.1(4) . . ?
 O14 Gd1 P1 80.8(3) . . ?
 O14 Gd1 P3 27.7(3) . . ?
 O14 Gd1 P2 127.0(2) . . ?
 O14 Gd1 O32 71.6(3) . . ?
 O14 Gd1 O7 70.2(3) . . ?
 O14 Gd1 O33 139.5(3) . . ?
 O14 Gd1 O16 106.0(4) . . ?
 O14 Gd1 O34 104.0(4) . . ?
 O14 Gd1 O18 110.9(4) . . ?
 O14 Gd1 O17 145.4(3) . . ?
 O14 Gd1 O19 55.1(4) . . ?
 O16 Gd1 P1 25.4(3) . . ?
 O16 Gd1 P3 124.2(2) . . ?
 O16 Gd1 P2 86.4(3) . . ?
 O16 Gd1 O32 101.3(4) . . ?
 O16 Gd1 O7 71.6(3) . . ?
 O16 Gd1 O34 144.1(4) . . ?
 O16 Gd1 O18 113.9(4) . . ?
 O16 Gd1 O17 63.3(3) . . ?
 O16 Gd1 O19 144.8(3) . . ?
 O34 Gd1 P1 157.0(3) . . ?
 O34 Gd1 P3 91.2(3) . . ?
 O34 Gd1 P2 91.1(3) . . ?
 O34 Gd1 O32 70.2(4) . . ?
 O34 Gd1 O7 138.5(3) . . ?
 O34 Gd1 O18 72.1(4) . . ?
 O34 Gd1 O17 100.6(4) . . ?
 O34 Gd1 O19 70.2(4) . . ?
 O18 Gd1 P1 127.8(3) . . ?
 O18 Gd1 P3 83.7(3) . . ?
 O18 Gd1 P2 27.9(3) . . ?
 O18 Gd1 O7 72.3(3) . . ?
 O18 Gd1 O17 55.0(4) . . ?
 O18 Gd1 O19 59.8(4) . . ?
 O17 Gd1 P1 86.0(2) . . ?
 O17 Gd1 P3 129.6(3) . . ?
 O17 Gd1 P2 28.3(3) . . ?
 O17 Gd1 O19 113.4(4) . . ?
 O19 Gd1 P1 127.4(3) . . ?
 O19 Gd1 P3 28.3(3) . . ?
 O19 Gd1 P2 85.1(3) . . ?
 O30 Mo8 O16 76.0(4) . . ?
 O30 Mo8 O17 76.4(4) . . ?
 O10 Mo8 O30 156.4(4) . . ?
 O10 Mo8 O16 85.3(4) . . ?
 O10 Mo8 O17 84.3(4) . . ?
 O22 Mo8 O30 92.0(5) . . ?
 O22 Mo8 O10 102.4(5) . . ?
 O22 Mo8 O16 90.4(6) . . ?
 O22 Mo8 O17 160.7(5) . . ?
 O22 Mo8 O23 103.9(8) . . ?
 O17 Mo8 O16 72.0(4) . . ?
 O23 Mo8 O30 93.2(5) . . ?
 O23 Mo8 O10 101.1(6) . . ?
 O23 Mo8 O16 162.6(6) . . ?
 O23 Mo8 O17 92.3(6) . . ?
 O29 Mo7 O14 76.2(4) . . ?
 O29 Mo7 O15 75.8(4) . . ?
 O8 Mo7 O29 153.8(4) . . ?
 O8 Mo7 O14 83.6(4) . . ?
 O8 Mo7 O15 83.1(4) . . ?
 O20 Mo7 O29 92.8(5) . . ?
 O20 Mo7 O14 87.4(6) . . ?
 O20 Mo7 O8 102.9(5) . . ?
 O20 Mo7 O21 103.8(7) . . ?
 O20 Mo7 O15 161.2(6) . . ?
 O21 Mo7 O29 92.8(5) . . ?
 O21 Mo7 O14 164.8(5) . . ?
 O21 Mo7 O8 103.4(5) . . ?
 O21 Mo7 O15 91.9(7) . . ?
 O15 Mo7 O14 75.4(6) . . ?
 Mo2 Mo1 Mo3 60.03(6) . . ?
 O9 Mo1 Mo3 96.3(3) . . ?
 O9 Mo1 Mo2 141.6(2) . . ?
 O9 Mo1 N1 86.8(4) . . ?
 O7 Mo1 Mo3 52.0(2) . . ?
 O7 Mo1 Mo2 52.3(2) . . ?
 O7 Mo1 O9 89.4(3) . . ?
 O7 Mo1 N1 175.2(4) . . ?
 O1 Mo1 Mo3 94.6(4) . . ?
 O1 Mo1 Mo2 49.0(3) . . ?
 O1 Mo1 O9 168.4(4) . . ?
 O1 Mo1 O7 100.5(4) . . ?
 O1 Mo1 O2 94.6(5) . . ?
 O1 Mo1 O8 91.0(5) . . ?
 O1 Mo1 N1 82.9(5) . . ?
 O2 Mo1 Mo3 48.9(3) . . ?
 O2 Mo1 Mo2 94.4(3) . . ?
 O2 Mo1 O9 89.4(4) . . ?
 O2 Mo1 O7 100.1(4) . . ?
 O2 Mo1 O8 165.7(5) . . ?
 O2 Mo1 N1 82.9(5) . . ?
 O8 Mo1 Mo3 143.7(3) . . ?
 O8 Mo1 Mo2 99.2(4) . . ?
 O8 Mo1 O9 82.7(4) . . ?
 O8 Mo1 O7 91.8(4) . . ?
 O8 Mo1 N1 84.7(4) . . ?
 Mo4 Mo1 Mo3 31.2(5) . . ?
 Mo4 Mo1 Mo2 91.1(5) . . ?
 Mo4 Mo1 O9 71.8(5) . . ?
 Mo4 Mo1 O7 72.0(5) . . ?
 Mo4 Mo1 O1 116.8(6) . . ?
 Mo4 Mo1 O2 33.3(5) . . ?
 Mo4 Mo1 O8 149.5(5) . . ?
 Mo4 Mo1 N1 109.5(5) . . ?
 N1 Mo1 Mo3 131.5(3) . . ?
 N1 Mo1 Mo2 131.6(3) . . ?
 Mo2 Mo3 Mo1 59.40(6) . . ?
 O7 Mo3 Mo1 52.2(2) . . ?
 O7 Mo3 Mo2 52.0(3) . . ?
 O7 Mo3 O11 89.1(4) . . ?
 O7 Mo3 N3 173.4(4) . . ?
 O10 Mo3 Mo1 96.9(3) . . ?
 O10 Mo3 Mo2 142.9(3) . . ?
 O10 Mo3 O7 91.1(4) . . ?
 O10 Mo3 O11 84.1(4) . . ?
 O10 Mo3 N3 85.5(4) . . ?
 O11 Mo3 Mo1 141.3(3) . . ?
 O11 Mo3 Mo2 97.5(3) . . ?
 O11 Mo3 N3 84.9(4) . . ?
 O2 Mo3 Mo1 49.2(3) . . ?
 O2 Mo3 Mo2 94.1(4) . . ?
 O2 Mo3 O7 100.6(4) . . ?
 O2 Mo3 O10 88.6(5) . . ?
 O2 Mo3 O11 168.0(5) . . ?
 O2 Mo3 N3 85.0(5) . . ?
 O3 Mo3 Mo1 93.0(4) . . ?
 O3 Mo3 Mo2 48.8(4) . . ?
 O3 Mo3 O7 100.3(5) . . ?
 O3 Mo3 O10 168.1(5) . . ?
 O3 Mo3 O11 92.3(5) . . ?
 O3 Mo3 O2 92.9(5) . . ?
 O3 Mo3 N3 82.9(5) . . ?
 N3 Mo3 Mo1 133.9(3) . . ?
 N3 Mo3 Mo2 131.6(4) . . ?
 O31 Mo9 O18 74.5(4) . . ?
 O31 Mo9 O19 76.0(4) . . ?
 O12 Mo9 O31 153.8(4) . . ?
 O12 Mo9 O18 83.9(5) . . ?
 O12 Mo9 O19 83.3(5) . . ?
 O25 Mo9 O31 94.4(5) . . ?
 O25 Mo9 O12 102.5(6) . . ?
 O25 Mo9 O18 161.9(6) . . ?
 O25 Mo9 O19 92.7(7) . . ?
 O19 Mo9 O18 71.0(6) . . ?
 O24 Mo9 O31 91.8(5) . . ?
 O24 Mo9 O12 102.8(6) . . ?
 O24 Mo9 O18 89.8(7) . . ?
 O24 Mo9 O25 105.0(8) . . ?
 O24 Mo9 O19 159.4(7) . . ?
 Mo1 Mo2 Mo3 60.57(6) . . ?
 O7 Mo2 Mo1 52.7(2) . . ?
 O7 Mo2 Mo3 52.3(2) . . ?
 O7 Mo2 O13 89.2(4) . . ?
 O7 Mo2 N2 173.2(4) . . ?
 O13 Mo2 Mo1 96.8(3) . . ?
 O13 Mo2 Mo3 141.4(3) . . ?
 O13 Mo2 N2 84.7(5) . . ?
 O1 Mo2 Mo1 49.1(3) . . ?
 O1 Mo2 Mo3 95.1(4) . . ?
 O1 Mo2 O7 101.1(4) . . ?
 O1 Mo2 O13 90.4(5) . . ?
 O1 Mo2 O12 165.6(5) . . ?
 O1 Mo2 O3 93.6(5) . . ?
 O1 Mo2 N2 81.8(5) . . ?
 O12 Mo2 Mo1 144.6(3) . . ?
 O12 Mo2 Mo3 97.6(4) . . ?
 O12 Mo2 O7 91.9(4) . . ?
 O12 Mo2 O13 83.8(5) . . ?
 O12 Mo2 N2 84.5(5) . . ?
 O3 Mo2 Mo1 93.7(4) . . ?
 O3 Mo2 Mo3 48.5(4) . . ?
 O3 Mo2 O7 100.2(4) . . ?
 O3 Mo2 O13 168.8(5) . . ?
 O3 Mo2 O12 89.8(5) . . ?
 O3 Mo2 N2 85.6(5) . . ?
 N2 Mo2 Mo1 130.9(4) . . ?
 N2 Mo2 Mo3 133.9(4) . . ?
 O32 P4 H4 106.5 . . ?
 O29 P4 H4 107.6 . . ?
 O29 P4 H4 107.6 6_556 . ?
 O29 P4 O32 115.2(5) 6_556 . ?
 O29 P4 O32 115.2(5) . . ?
 O29 P4 O29 104.2(8) . 6_556 ?
 Gd1 P1 H1 137.9 . . ?
 O9 P1 Gd1 112.9(4) . . ?
 O9 P1 H1 108.1 . . ?
 O16 P1 Gd1 44.1(4) . . ?
 O16 P1 H1 109.5 . . ?
 O16 P1 O9 113.8(6) . . ?
 O15 P1 Gd1 63.6(7) . . ?
 O15 P1 H1 108.3 . . ?
 O15 P1 O9 113.4(6) . . ?
 O15 P1 O16 103.6(8) . . ?
 O26 P1 Gd1 140.2(13) . . ?
 O26 P1 H1 6.6 . . ?
 O26 P1 O9 106.8(14) . . ?
 O26 P1 O16 115.5(15) . . ?
 O26 P1 O15 103.4(17) . . ?
 Gd1 P3 H3 133.3 . . ?
 O13 P3 Gd1 116.7(5) . . ?
 O13 P3 H3 109.9 . . ?
 O13 P3 O14 114.2(6) . . ?
 O13 P3 O19 112.5(7) . . ?
 O14 P3 Gd1 47.8(4) . . ?
 O14 P3 H3 108.9 . . ?
 O19 P3 Gd1 56.2(6) . . ?
 O19 P3 H3 109.1 . . ?
 O19 P3 O14 101.9(7) . . ?
 O28 P3 Gd1 138(3) . . ?
 O28 P3 H3 4.8 . . ?
 O28 P3 O13 105(3) . . ?
 O28 P3 O14 112(3) . . ?
 O28 P3 O19 111(3) . . ?
 Gd1 P2 H2 136.0 . . ?
 O11 P2 Gd1 114.1(5) . . ?
 O11 P2 H2 109.9 . . ?
 O11 P2 O17 112.8(6) . . ?
 O18 P2 Gd1 51.0(5) . . ?
 O18 P2 H2 110.4 . . ?
 O18 P2 O11 113.7(7) . . ?
 O18 P2 O17 101.1(7) . . ?
 O18 P2 O27 114.3(15) . . ?
 O17 P2 Gd1 53.1(5) . . ?
 O17 P2 H2 108.5 . . ?
 O27 P2 Gd1 137.0(11) . . ?
 O27 P2 H2 4.2 . . ?
 O27 P2 O11 108.7(12) . . ?
 O27 P2 O17 105.8(13) . . ?
 P1 O9 Mo1 124.3(6) . . ?
 P1 O9 Mo4 125.9(6) . . ?
 Mo4 O9 Mo1 34.3(4) . . ?
 P5 O30 Mo8 140.2(7) . . ?
 P6 O30 Mo8 137.5(8) . . ?
 Gd1 O32 Gd1 96.3(4) . 6_556 ?
 P4 O32 Gd1 129.4(3) . 6_556 ?
 P4 O32 Gd1 129.4(3) . . ?
 P4 O29 Mo7 139.3(6) . . ?
 Mo1 O7 Gd1 135.9(4) . . ?
 Mo1 O7 Mo5 42.6(4) . . ?
 Mo1 O7 Mo6 86.8(4) . . ?
 Mo3 O7 Gd1 133.8(4) . . ?
 Mo3 O7 Mo1 75.9(3) . . ?
 Mo3 O7 Mo5 89.8(4) . . ?
 Mo3 O7 Mo6 42.8(4) . . ?
 Mo2 O7 Gd1 135.2(4) . . ?
 Mo2 O7 Mo1 75.0(3) . . ?
 Mo2 O7 Mo3 75.7(3) . . ?
 Mo2 O7 Mo5 39.3(3) . . ?
 Mo2 O7 Mo6 38.0(4) . . ?
 Mo5 O7 Gd1 136.3(5) . . ?
 Mo4 O7 Gd1 138.0(5) . . ?
 Mo4 O7 Mo1 34.8(3) . . ?
 Mo4 O7 Mo3 46.2(3) . . ?
 Mo4 O7 Mo2 86.5(4) . . ?
 Mo4 O7 Mo5 70.1(5) . . ?
 Mo4 O7 Mo6 75.7(5) . . ?
 Mo6 O7 Gd1 137.3(5) . . ?
 Mo6 O7 Mo5 70.0(5) . . ?
 O7 Mo5 O8 85.0(5) . . ?
 O7 Mo5 Mo4 53.0(4) . . ?
 O7 Mo5 Mo6 53.5(4) . . ?
 O7 Mo5 N5 168(3) . . ?
 O13 Mo5 O7 86.4(5) . . ?
 O13 Mo5 O8 90.9(6) . . ?
 O13 Mo5 Mo4 139.4(5) . . ?
 O13 Mo5 Mo6 94.6(6) . . ?
 O13 Mo5 N5 88(3) . . ?
 O8 Mo5 Mo4 86.0(6) . . ?
 O8 Mo5 Mo6 137.5(6) . . ?
 O8 Mo5 N5 84(3) . . ?
 Mo4 Mo5 Mo6 63.1(5) . . ?
 N5 Mo5 Mo4 131(3) . . ?
 N5 Mo5 Mo6 138(3) . . ?
 O5 Mo5 O7 103.4(8) . . ?
 O5 Mo5 O13 164.9(15) . . ?
 O5 Mo5 O8 78.8(16) . . ?
 O5 Mo5 Mo4 51.6(7) . . ?
 O5 Mo5 Mo6 100.4(14) . . ?
 O5 Mo5 N5 80(3) . . ?
 O5 Mo5 O4 100(2) . . ?
 O4 Mo5 O7 101.1(8) . . ?
 O4 Mo5 O13 89.0(16) . . ?
 O4 Mo5 O8 173.9(9) . . ?
 O4 Mo5 Mo4 98.0(14) . . ?
 O4 Mo5 Mo6 48.6(7) . . ?
 O4 Mo5 N5 90(3) . . ?
 Mo2 O13 Mo5 39.0(3) . . ?
 P3 O13 Mo2 122.0(7) . . ?
 P3 O13 Mo5 122.6(7) . . ?
 Gd1 O33 Gd1 98.6(5) . 6_556 ?
 P5 O33 Gd1 128.3(4) . . ?
 P5 O33 Gd1 128.3(4) . 6_556 ?
 P6 O33 Gd1 128.7(4) . . ?
 Mo2 O1 Mo1 81.9(4) . . ?
 Mo8 O10 Mo3 146.6(6) . . ?
 Mo8 O10 Mo4 138.4(6) . . ?
 Mo3 O10 Mo4 42.5(3) . . ?
 Mo7 O14 Gd1 121.4(5) . . ?
 P3 O14 Gd1 104.5(5) . . ?
 P3 O14 Mo7 127.9(6) . . ?
 Mo3 O11 Mo6 40.1(3) . . ?
 P2 O11 Mo3 125.6(6) . . ?
 P2 O11 Mo6 122.1(7) . . ?
 Mo3 O2 Mo1 82.0(4) . . ?
 Mo7 O8 Mo1 150.3(6) . . ?
 Mo7 O8 Mo5 139.6(7) . . ?
 Mo1 O8 Mo5 42.5(4) . . ?
 Mo8 O16 Gd1 114.3(4) . . ?
 P1 O16 Gd1 110.5(6) . . ?
 P1 O16 Mo8 127.0(6) . . ?
 P8 O31 Mo9 136.3(9) . . ?
 P7 O31 Mo9 141.5(8) . . ?
 Gd1 O34 Gd1 97.7(5) . 6_556 ?
 P8 O34 Gd1 128.5(4) . . ?
 P8 O34 Gd1 128.5(4) . 6_556 ?
 P7 O34 Gd1 129.5(5) . . ?
 Mo9 O12 Mo2 148.5(6) . . ?
 Mo9 O12 Mo6 145.7(7) . . ?
 Mo2 O12 Mo6 37.9(3) . . ?
 Mo3 O3 Mo2 82.6(4) . . ?
 P1 O15 Mo7 137.3(6) . . ?
 Mo9 O18 Gd1 116.5(6) . . ?
 P2 O18 Gd1 101.1(6) . . ?
 P2 O18 Mo9 132.5(7) . . ?
 Mo8 O17 Gd1 110.5(4) . . ?
 P2 O17 Gd1 98.7(6) . . ?
 P2 O17 Mo8 132.1(6) . . ?
 Mo9 O19 Gd1 112.5(6) . . ?
 P3 O19 Gd1 95.5(6) . . ?
 P3 O19 Mo9 133.6(7) . . ?
 Mo1 Mo4 O9 73.9(5) . . ?
 Mo1 Mo4 O7 73.2(5) . . ?
 Mo1 Mo4 Mo5 32.9(4) . . ?
 Mo1 Mo4 O10 148.8(5) . . ?
 Mo1 Mo4 Mo6 91.4(7) . . ?
 Mo1 Mo4 N4 111(2) . . ?
 Mo1 Mo4 O5 35.1(10) . . ?
 Mo1 Mo4 O6 127.7(16) . . ?
 O9 Mo4 Mo5 102.6(6) . . ?
 O9 Mo4 O10 85.9(5) . . ?
 O9 Mo4 Mo6 143.0(5) . . ?
 O9 Mo4 N4 80.7(18) . . ?
 O7 Mo4 O9 90.4(5) . . ?
 O7 Mo4 Mo5 56.9(4) . . ?
 O7 Mo4 O10 83.7(5) . . ?
 O7 Mo4 Mo6 52.6(4) . . ?
 O7 Mo4 N4 168.2(17) . . ?
 Mo5 Mo4 Mo6 58.7(4) . . ?
 O10 Mo4 Mo5 139.3(5) . . ?
 O10 Mo4 Mo6 90.7(5) . . ?
 N4 Mo4 Mo5 132.6(18) . . ?
 N4 Mo4 O10 87.9(19) . . ?
 N4 Mo4 Mo6 136.1(19) . . ?
 O5 Mo4 O9 94.1(14) . . ?
 O5 Mo4 O7 101.2(9) . . ?
 O5 Mo4 Mo5 45.4(7) . . ?
 O5 Mo4 O10 175.1(9) . . ?
 O5 Mo4 Mo6 92.1(12) . . ?
 O5 Mo4 N4 87(2) . . ?
 O6 Mo4 O9 157.4(15) . . ?
 O6 Mo4 O7 101.8(8) . . ?
 O6 Mo4 Mo5 100.0(14) . . ?
 O6 Mo4 O10 76.7(15) . . ?
 O6 Mo4 Mo6 52.9(8) . . ?
 O6 Mo4 N4 84(2) . . ?
 O6 Mo4 O5 102(2) . . ?
 O7 Mo6 Mo5 56.5(4) . . ?
 O7 Mo6 O11 83.0(5) . . ?
 O7 Mo6 O12 89.1(5) . . ?
 O7 Mo6 Mo4 51.7(4) . . ?
 O7 Mo6 N6 166(3) . . ?
 Mo5 Mo6 Mo4 58.2(4) . . ?
 O11 Mo6 Mo5 139.3(5) . . ?
 O11 Mo6 Mo4 94.8(5) . . ?
 O12 Mo6 Mo5 94.6(6) . . ?
 O12 Mo6 O11 88.3(5) . . ?
 O12 Mo6 Mo4 139.7(5) . . ?
 O12 Mo6 N6 91(3) . . ?
 N6 Mo6 Mo5 138(3) . . ?
 N6 Mo6 O11 83(3) . . ?
 N6 Mo6 Mo4 129(3) . . ?
 O4 Mo6 O7 102.8(8) . . ?
 O4 Mo6 Mo5 47.3(7) . . ?
 O4 Mo6 O11 172.0(13) . . ?
 O4 Mo6 O12 86.4(15) . . ?
 O4 Mo6 Mo4 93.0(13) . . ?
 O4 Mo6 N6 92(3) . . ?
 O4 Mo6 O6 100.2(19) . . ?
 O6 Mo6 O7 90.1(7) . . ?
 O6 Mo6 Mo5 90.4(11) . . ?
 O6 Mo6 O11 85.1(12) . . ?
 O6 Mo6 O12 173.4(13) . . ?
 O6 Mo6 Mo4 41.3(6) . . ?
 O6 Mo6 N6 88(3) . . ?
 O30 P5 O30 106.4(11) 6_556 . ?
 O30 P5 H5 107.0 . . ?
 O30 P5 H5 107.0 6_556 . ?
 O33 P5 O30 114.3(10) . . ?
 O33 P5 O30 114.3(10) . 6_556 ?
 O33 P5 H5 107.4 . . ?
 O30 P6 O30 105.7(13) 6_556 . ?
 O30 P6 H6 106.4 6_556 . ?
 O30 P6 H6 106.4 . . ?
 O33 P6 O30 114.9(12) . 6_556 ?
 O33 P6 O30 114.9(12) . . ?
 O33 P6 H6 107.8 . . ?
 O31 P8 O31 102.5(14) 6_556 . ?
 O31 P8 O34 112.8(12) 6_556 . ?
 O31 P8 O34 112.8(12) . . ?
 O31 P8 H8 109.9 6_556 . ?
 O31 P8 H8 109.9 . . ?
 O34 P8 H8 108.8 . . ?
 O31 P7 O31 106.6(16) . 6_556 ?
 O31 P7 O34 117.5(15) . . ?
 O31 P7 O34 117.5(15) 6_556 . ?
 O31 P7 H7 104.8 6_556 . ?
 O31 P7 H7 104.8 . . ?
 O34 P7 H7 104.0 . . ?
 C6 N2 Mo2 122.5(10) . . ?
 C6 N2 C10 117.3(14) . . ?
 C10 N2 Mo2 120.1(11) . . ?
 N2 C6 H6A 118.6 . . ?
 N2 C6 C7 122.7(13) . . ?
 C7 C6 H6A 118.6 . . ?
 C6 C7 H7A 120.4 . . ?
 C8 C7 C6 119.2(13) . . ?
 C8 C7 H7A 120.4 . . ?
 C7 C8 H8A 120.3 . . ?
 C7 C8 C9 119.4(13) . . ?
 C9 C8 H8A 120.3 . . ?
 C8 C9 H9 120.6 . . ?
 C8 C9 C10 118.8(13) . . ?
 C10 C9 H9 120.6 . . ?
 N2 C10 C9 122.6(14) . . ?
 N2 C10 H10 118.7 . . ?
 C9 C10 H10 118.7 . . ?
 C5 N1 Mo1 120.0(10) . . ?
 C1 N1 Mo1 122.3(9) . . ?
 C1 N1 C5 117.8(13) . . ?
 N1 C5 H5A 118.8 . . ?
 N1 C5 C4 122.5(13) . . ?
 C4 C5 H5A 118.8 . . ?
 C5 C4 H4A 120.7 . . ?
 C3 C4 C5 118.6(12) . . ?
 C3 C4 H4A 120.7 . . ?
 C4 C3 H3A 120.2 . . ?
 C4 C3 C2 119.7(13) . . ?
 C2 C3 H3A 120.2 . . ?
 C3 C2 H2A 120.3 . . ?
 C3 C2 C1 119.3(13) . . ?
 C1 C2 H2A 120.3 . . ?
 N1 C1 C2 122.2(13) . . ?
 N1 C1 H1A 118.9 . . ?
 C2 C1 H1A 118.9 . . ?
 C11 N3 Mo3 120.0(9) . . ?
 C11 N3 C15 119.0(14) . . ?
 C15 N3 Mo3 120.7(11) . . ?
 N3 C11 H11 118.9 . . ?
 N3 C11 C12 122.2(13) . . ?
 C12 C11 H11 118.9 . . ?
 C11 C12 H12 121.0 . . ?
 C13 C12 C11 118.1(13) . . ?
 C13 C12 H12 121.0 . . ?
 C12 C13 H13 119.9 . . ?
 C14 C13 C12 120.1(13) . . ?
 C14 C13 H13 119.9 . . ?
 C13 C14 H14 120.2 . . ?
 C13 C14 C15 119.6(13) . . ?
 C15 C14 H14 120.2 . . ?
 N3 C15 C14 121.0(14) . . ?
 N3 C15 H15 119.5 . . ?
 C14 C15 H15 119.5 . . ?
 P1 O26 H1 74.9 . . ?
 P2 O27 H2 38.1 . . ?
 P3 O28 H3 65.0 . . ?
 Mo4 N4 H7B 96(3) . 8_556 ?
 C16 N4 Mo4 124(4) . . ?
 C16 N4 H7B 31(4) . 8_556 ?
 C20 N4 Mo4 117(4) . . ?
 C20 N4 C16 118(2) . . ?
 C20 N4 H7B 145(4) . 8_556 ?
 N4 C16 H16 119.1 . . ?
 N4 C16 C17 122(2) . . ?
 N4 C16 H7B 42(6) . 8_556 ?
 H16 C16 H7B 80.2 . 8_556 ?
 C17 C16 H16 119.1 . . ?
 C17 C16 H7B 155(7) . 8_556 ?
 C16 C17 H17 120.4 . . ?
 C18 C17 C16 119.1(18) . . ?
 C18 C17 H17 120.4 . . ?
 C17 C18 H18 119.8 . . ?
 C17 C18 C19 120.3(17) . . ?
 C17 C18 H32 175(9) . 8_556 ?
 H18 C18 H32 60.1 . 8_556 ?
 C19 C18 H18 119.8 . . ?
 C19 C18 H32 60(4) . 8_556 ?
 C18 C19 H19 120.8 . . ?
 C18 C19 C20 118.4(17) . . ?
 C18 C19 H32 54(4) . 8_556 ?
 H19 C19 H32 67.3 . 8_556 ?
 C20 C19 H19 120.8 . . ?
 C20 C19 H32 169(6) . 8_556 ?
 N4 C20 C19 122(2) . . ?
 N4 C20 H20 118.8 . . ?
 C19 C20 H20 118.8 . . ?
 C25 N5 Mo5 113(7) . . ?
 C21 N5 Mo5 126(7) . . ?
 C21 N5 C25 121(3) . . ?
 N5 C25 H25 119.8 . . ?
 N5 C25 C24 120(2) . . ?
 C24 C25 H25 119.8 . . ?
 C25 C24 H24 120.6 . . ?
 C23 C24 C25 118.9(18) . . ?
 C23 C24 H24 120.6 . . ?
 C24 C23 H23 119.8 . . ?
 C24 C23 C22 120.4(18) . . ?
 C22 C23 H23 119.8 . . ?
 C23 C22 H22 120.4 . . ?
 C23 C22 C21 119.2(18) . . ?
 C21 C22 H22 120.4 . . ?
 N5 C21 C22 120(2) . . ?
 N5 C21 H21 119.9 . . ?
 C22 C21 H21 119.9 . . ?
 Mo6 N6 H17 165(7) . 7_556 ?
 C26 N6 Mo6 123(6) . . ?
 C26 N6 H17 56(4) . 7_556 ?
 C26 N6 C30 119(3) . . ?
 C30 N6 Mo6 118(6) . . ?
 C30 N6 H17 65(4) . 7_556 ?
 H17 C26 H18 152.8 7_556 7_556 ?
 N6 C26 H17 68(3) . 7_556 ?
 N6 C26 H18 130(9) . 7_556 ?
 N6 C26 H26 119.1 . . ?
 N6 C26 C27 122(2) . . ?
 H26 C26 H17 161.9 . 7_556 ?
 H26 C26 H18 11.8 . 7_556 ?
 C27 C26 H17 57(3) . 7_556 ?
 C27 C26 H18 108(8) . 7_556 ?
 C27 C26 H26 119.1 . . ?
 C26 C27 H17 61(4) . 7_556 ?
 C26 C27 H27 120.5 . . ?
 H27 C27 H17 162.1 . 7_556 ?
 C28 C27 H17 62(4) . 7_556 ?
 C28 C27 C26 119.1(18) . . ?
 C28 C27 H27 120.5 . . ?
 C27 C28 H17 56(4) . 7_556 ?
 C27 C28 H28 120.2 . . ?
 H28 C28 H17 162.4 . 7_556 ?
 C29 C28 H17 66(4) . 7_556 ?
 C29 C28 C27 119.5(16) . . ?
 C29 C28 H28 120.2 . . ?
 C28 C29 H17 57(3) . 7_556 ?
 C28 C29 H29 120.2 . . ?
 C28 C29 C30 119.5(18) . . ?
 C28 C29 H38B 98.6 . . ?
 H29 C29 H17 163.5 . 7_556 ?
 H29 C29 H38B 56.1 . . ?
 C30 C29 H17 65(3) . 7_556 ?
 C30 C29 H29 120.2 . . ?
 C30 C29 H38B 114.3 . . ?
 H38B C29 H17 107.4 . 7_556 ?
 N6 C30 H17 62(3) . 7_556 ?
 N6 C30 C29 121(2) . . ?
 N6 C30 H30 119.4 . . ?
 C29 C30 H17 61(3) . 7_556 ?
 C29 C30 H30 119.4 . . ?
 H30 C30 H17 165.7 . 7_556 ?
 C46 N10 H10A 119.2 . . ?
 C46 N10 C50 122(3) . . ?
 C50 N10 H10A 119.2 . . ?
 N10 C46 H46 119.8 . . ?
 N10 C46 C47 120(2) . . ?
 C47 C46 H46 119.8 . . ?
 C46 C47 H47 120.8 . . ?
 C48 C47 C46 118.5(17) . . ?
 C48 C47 H47 120.8 . . ?
 C47 C48 H48 119.6 . . ?
 C47 C48 C49 120.8(18) . . ?
 C49 C48 H48 119.6 . . ?
 C48 C49 H49 120.4 . . ?
 C48 C49 C50 119.3(17) . . ?
 C50 C49 H49 120.4 . . ?
 N10 C50 C49 119(2) . . ?
 N10 C50 H50 120.3 . . ?
 C49 C50 H50 120.3 . . ?
 C40 N8 H8B 119.3 . . ?
 C40 N8 C36 121(3) . . ?
 C36 N8 H8B 119.3 . . ?
 N8 C40 H40 120.0 . . ?
 N8 C40 C39 120(2) . . ?
 C39 C40 H40 120.0 . . ?
 C40 C39 H39 120.4 . . ?
 C38 C39 C40 119.1(17) . . ?
 C38 C39 H39 120.4 . . ?
 C39 C38 H38 119.8 . . ?
 C39 C38 C37 120.4(17) . . ?
 C37 C38 H38 119.8 . . ?
 C38 C37 H37 120.5 . . ?
 C38 C37 C36 119.0(17) . . ?
 C36 C37 H37 120.5 . . ?
 N8 C36 C37 120(2) . . ?
 N8 C36 H36 120.1 . . ?
 C37 C36 H36 120.1 . . ?
 C45 N9 H9A 118.9 . . ?
 C41 N9 H9A 118.9 . . ?
 C41 N9 C45 122(3) . . ?
 N9 C45 H45 120.2 . . ?
 N9 C45 C44 120(2) . . ?
 C44 C45 H45 120.2 . . ?
 C45 C44 H44 120.7 . . ?
 C43 C44 C45 118.6(17) . . ?
 C43 C44 H44 120.7 . . ?
 C44 C43 H43 119.3 . . ?
 C44 C43 C42 121.3(17) . . ?
 C42 C43 H43 119.3 . . ?
 C43 C42 H42 120.7 . . ?
 C43 C42 C41 118.5(17) . . ?
 C41 C42 H42 120.7 . . ?
 N9 C41 C42 119(2) . . ?
 N9 C41 H41 120.4 . . ?
 C42 C41 H41 120.4 . . ?
 C55 N11 H11A 119.4 . . ?
 C51 N11 H11A 119.4 . . ?
 C51 N11 C55 121(3) . . ?
 N11 C55 H55 119.9 . . ?
 N11 C55 C54 120(2) . . ?
 C54 C55 H55 119.9 . . ?
 C55 C54 H54 120.7 . . ?
 C53 C54 C55 118.6(17) . . ?
 C53 C54 H54 120.7 . . ?
 C54 C53 H53 119.5 . . ?
 C52 C53 C54 121.0(18) . . ?
 C52 C53 H53 119.5 . . ?
 C53 C52 H52 120.6 . . ?
 C53 C52 C51 118.8(17) . . ?
 C51 C52 H52 120.6 . . ?
 N11 C51 C52 120(2) . . ?
 N11 C51 H51 119.9 . . ?
 C52 C51 H51 119.9 . . ?
 C56 N12 H12A 119.5 . . ?
 C60 N12 H12A 119.5 . . ?
 C60 N12 C56 121(3) . . ?
 N12 C56 H56 119.8 . . ?
 N12 C56 C57 120(2) . . ?
 C57 C56 H56 119.8 . . ?
 C56 C57 H57 120.7 . . ?
 C58 C57 C56 118.7(18) . . ?
 C58 C57 H57 120.7 . . ?
 C57 C58 H58 119.6 . . ?
 C59 C58 C57 120.7(18) . . ?
 C59 C58 H58 119.6 . . ?
 C58 C59 H59 120.4 . . ?
 C58 C59 C60 119.1(18) . . ?
 C60 C59 H59 120.4 . . ?
 N12 C60 C59 120(2) . . ?
 N12 C60 H60 120.0 . . ?
 C59 C60 H60 120.0 . . ?
 Mo5 O5 Mo4 83.0(10) . . ?
 Mo5 O4 Mo6 84.2(9) . . ?
 Mo4 O6 Mo6 85.7(10) . . ?
 H48A O48 H48B 86.9 . . ?
 H35A O35 H35B 104.5 . . ?
 H35A O35 H35C 61.7 . . ?
 H35B O35 H35C 114.6 . . ?
 H36A O36 H36B 51.3 . . ?
 H36A O36 H36C 89.7 . . ?
 H36B O36 H36C 126.5 . . ?
 H41A O41 H41B 104.5 . . ?
 H40A O40 H40B 91.2 . . ?
 H40A O40 H40C 161.1 . . ?
 H40B O40 H40C 107.6 . . ?
 H37A O37 H37B 104.5 . . ?
 H44A O44 H44A 120.6 . 6_556 ?
 H44A O44 H44B 129.9 . 6_556 ?
 H44A O44 H44B 109.5 . . ?
 H44B O44 H44A 109.5 6_556 6_556 ?
 H44B O44 H44A 129.9 . 6_556 ?
 H44B O44 H44B 20.4 . 6_556 ?
 H46A O46 H46B 104.5 . . ?
 H46A O46 H45B 52.9 . . ?
 H46B O46 H45B 63.0 . . ?
 H43A O43 H43B 104.5 . . ?
 H37A O38 H38A 108.3 . . ?
 H37A O38 H38B 108.3 . . ?
 H38A O38 H38B 104.5 . . ?
 H47A O47 H47A 134.6 . 6_556 ?
 H47A O47 H47B 104.5 . . ?
 H47A O47 H47B 30.1 . 6_556 ?
 H47B O47 H47A 30.1 . 6_556 ?
 H47B O47 H47A 104.5 6_556 6_556 ?
 H47B O47 H47B 74.4 . 6_556 ?
 H39A O39 H40C 96.8 . . ?
 H42A O42 H43A 49.2 . 2_665 ?
 H42A O42 H42B 109.5 . . ?
 H42B O42 H43A 132.9 . 2_665 ?
 H49A O49 H49B 104.5 . . ?
 H45A O45 H45B 104.5 . . ?
 H7B N7 H16 59.8 . 7_556 ?
 C31 N7 H16 176(4) . 7_556 ?
 C31 N7 H7B 116.1 . . ?
 C31 N7 C35 128(3) . . ?
 C35 N7 H16 56(4) . 7_556 ?
 C35 N7 H7B 116.1 . . ?
 N4 C31 H31 70.0 7_556 . ?
 N7 C31 N4 53(3) . 7_556 ?
 N7 C31 H31 121.5 . . ?
 N7 C31 C32 117(2) . . ?
 C32 C31 N4 163(4) . 7_556 ?
 C32 C31 H31 121.5 . . ?
 C31 C32 H18 154(7) . 7_556 ?
 C31 C32 H32 121.2 . . ?
 H32 C32 H18 75.5 . 7_556 ?
 C33 C32 H18 50(6) . 7_556 ?
 C33 C32 C31 117.7(16) . . ?
 C33 C32 H32 121.2 . . ?
 H17 C33 H18 129.8 7_556 7_556 ?
 C32 C33 H17 106(3) . 7_556 ?
 C32 C33 H18 39(3) . 7_556 ?
 C32 C33 H33 118.8 . . ?
 H33 C33 H17 132.4 . 7_556 ?
 H33 C33 H18 83.6 . 7_556 ?
 C34 C33 H17 22(3) . 7_556 ?
 C34 C33 H18 152(5) . 7_556 ?
 C34 C33 C32 122.4(17) . . ?
 C34 C33 H33 118.8 . . ?
 C33 C34 H17 90(8) . 7_556 ?
 C33 C34 H34 120.3 . . ?
 C33 C34 C35 119.5(17) . . ?
 H34 C34 H17 124.0 . 7_556 ?
 C35 C34 H17 56(7) . 7_556 ?
 C35 C34 H34 120.3 . . ?
 H16 C35 H17 149.9 7_556 7_556 ?
 N7 C35 H16 57(4) . 7_556 ?
 N7 C35 H17 103(3) . 7_556 ?
 N7 C35 C34 115(2) . . ?
 N7 C35 H35 122.3 . . ?
 C34 C35 H16 172(4) . 7_556 ?
 C34 C35 H17 23(5) . 7_556 ?
 C34 C35 H35 122.3 . . ?
 H35 C35 H16 65.3 . 7_556 ?
 H35 C35 H17 130.1 . 7_556 ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Gd1 P1 O9 Mo1 -22.8(8) . . . . ?
 Gd1 P1 O9 Mo4 19.4(9) . . . . ?
 Gd1 P1 O16 Mo8 -146.3(10) . . . . ?
 Gd1 P1 O15 Mo7 110.5(15) . . . . ?
 Gd1 P3 O13 Mo2 -18.1(9) . . . . ?
 Gd1 P3 O13 Mo5 28.3(10) . . . . ?
 Gd1 P3 O14 Mo7 -152.0(10) . . . . ?
 Gd1 P3 O19 Mo9 128.6(13) . . . . ?
 Gd1 P2 O11 Mo3 -18.4(10) . . . . ?
 Gd1 P2 O11 Mo6 30.2(9) . . . . ?
 Gd1 P2 O18 Mo9 -142.9(12) . . . . ?
 Gd1 P2 O17 Mo8 127.9(10) . . . . ?
 Gd1 O33 P5 O30 -166.3(9) 6_556 . . . ?
 Gd1 O33 P5 O30 43(2) . . . . ?
 Gd1 O33 P5 O30 166.3(9) . . . 6_556 ?
 Gd1 O33 P5 O30 -43(2) 6_556 . . 6_556 ?
 Gd1 O33 P6 O30 -165.3(10) . . . 6_556 ?
 Gd1 O33 P6 O30 -42(3) . . . . ?
 Gd1 O33 P6 O30 42(3) 6_556 . . 6_556 ?
 Gd1 O33 P6 O30 165.3(10) 6_556 . . . ?
 Gd1 O34 P8 O31 48(2) 6_556 . . 6_556 ?
 Gd1 O34 P8 O31 -48(2) . . . . ?
 Gd1 O34 P8 O31 163.6(10) 6_556 . . . ?
 Gd1 O34 P8 O31 -163.6(10) . . . 6_556 ?
 Gd1 O34 P7 O31 167.4(15) . . . 6_556 ?
 Gd1 O34 P7 O31 38(4) . . . . ?
 Gd1 O34 P7 O31 -167.4(15) 6_556 . . . ?
 Gd1 O34 P7 O31 -38(4) 6_556 . . 6_556 ?
 Mo8 O30 P5 O30 -172.9(4) . . . 6_556 ?
 Mo8 O30 P5 O33 -46(2) . . . . ?
 Mo8 O30 P6 O30 -179.9(4) . . . 6_556 ?
 Mo8 O30 P6 O33 52(3) . . . . ?
 Mo1 Mo4 O6 Mo6 57.0(16) . . . . ?
 Mo1 N1 C5 C4 179.8(11) . . . . ?
 Mo1 N1 C1 C2 -179.2(18) . . . . ?
 Mo3 Mo1 Mo4 O9 139.9(7) . . . . ?
 Mo3 Mo1 Mo4 O7 44.4(5) . . . . ?
 Mo3 Mo1 Mo4 Mo5 -10.0(9) . . . . ?
 Mo3 Mo1 Mo4 O10 88.1(14) . . . . ?
 Mo3 Mo1 Mo4 Mo6 -5.6(4) . . . . ?
 Mo3 Mo1 Mo4 N4 -147(2) . . . . ?
 Mo3 Mo1 Mo4 O5 -97(2) . . . . ?
 Mo3 Mo1 Mo4 O6 -47.6(10) . . . . ?
 Mo3 N3 C11 C12 -173.1(12) . . . . ?
 Mo3 N3 C15 C14 174.2(15) . . . . ?
 Mo9 O31 P8 O31 -178.2(5) . . . 6_556 ?
 Mo9 O31 P8 O34 60(3) . . . . ?
 Mo9 O31 P7 O31 -172.3(6) . . . 6_556 ?
 Mo9 O31 P7 O34 -38(5) . . . . ?
 Mo2 Mo1 Mo4 O9 145.0(3) . . . . ?
 Mo2 Mo1 Mo4 O7 49.5(3) . . . . ?
 Mo2 Mo1 Mo4 Mo5 -4.9(4) . . . . ?
 Mo2 Mo1 Mo4 O10 93.2(14) . . . . ?
 Mo2 Mo1 Mo4 Mo6 -0.5(2) . . . . ?
 Mo2 Mo1 Mo4 N4 -142.1(19) . . . . ?
 Mo2 Mo1 Mo4 O5 -92.2(19) . . . . ?
 Mo2 Mo1 Mo4 O6 -42.5(11) . . . . ?
 Mo2 N2 C6 C7 -176.5(13) . . . . ?
 Mo2 N2 C10 C9 177.0(17) . . . . ?
 O9 Mo1 Mo4 O7 -95.5(4) . . . . ?
 O9 Mo1 Mo4 Mo5 -149.9(5) . . . . ?
 O9 Mo1 Mo4 O10 -51.8(13) . . . . ?
 O9 Mo1 Mo4 Mo6 -145.5(4) . . . . ?
 O9 Mo1 Mo4 N4 72.9(19) . . . . ?
 O9 Mo1 Mo4 O5 123(2) . . . . ?
 O9 Mo1 Mo4 O6 172.5(12) . . . . ?
 O9 P1 O16 Gd1 98.9(6) . . . . ?
 O9 P1 O16 Mo8 -47.5(9) . . . . ?
 O9 P1 O15 Mo7 5.6(18) . . . . ?
 O9 Mo4 O6 Mo6 -142.1(19) . . . . ?
 O30 Mo8 O10 Mo3 25(2) . . . . ?
 O30 Mo8 O10 Mo4 -47.0(17) . . . . ?
 O32 P4 O29 Mo7 -50.3(13) . . . . ?
 O29 Mo7 O8 Mo1 16(2) . . . . ?
 O29 Mo7 O8 Mo5 -60.2(17) . . . . ?
 O29 P4 O32 Gd1 -44.6(12) 6_556 . . 6_556 ?
 O29 P4 O32 Gd1 -166.1(8) . . . 6_556 ?
 O29 P4 O32 Gd1 166.1(8) 6_556 . . . ?
 O29 P4 O32 Gd1 44.6(12) . . . . ?
 O29 P4 O29 Mo7 -177.5(4) 6_556 . . . ?
 O7 Mo1 Mo4 O9 95.5(4) . . . . ?
 O7 Mo1 Mo4 Mo5 -54.4(5) . . . . ?
 O7 Mo1 Mo4 O10 43.7(13) . . . . ?
 O7 Mo1 Mo4 Mo6 -50.0(3) . . . . ?
 O7 Mo1 Mo4 N4 168.4(19) . . . . ?
 O7 Mo1 Mo4 O5 -142(2) . . . . ?
 O7 Mo1 Mo4 O6 -92.0(12) . . . . ?
 O7 Mo5 O5 Mo4 -11.8(16) . . . . ?
 O7 Mo5 O4 Mo6 11.0(17) . . . . ?
 O7 Mo4 O6 Mo6 -20.7(14) . . . . ?
 O7 Mo6 O4 Mo5 -11.4(17) . . . . ?
 Mo5 Mo4 O6 Mo6 37.3(12) . . . . ?
 Mo5 N5 C25 C24 -173(7) . . . . ?
 Mo5 N5 C21 C22 172(8) . . . . ?
 O13 P3 O14 Gd1 104.9(6) . . . . ?
 O13 P3 O14 Mo7 -47.1(11) . . . . ?
 O13 P3 O19 Gd1 -107.9(6) . . . . ?
 O13 P3 O19 Mo9 20.6(15) . . . . ?
 O13 Mo5 O5 Mo4 -141(4) . . . . ?
 O13 Mo5 O4 Mo6 97.1(14) . . . . ?
 O1 Mo1 Mo4 O9 -171.5(5) . . . . ?
 O1 Mo1 Mo4 O7 93.0(5) . . . . ?
 O1 Mo1 Mo4 Mo5 38.6(5) . . . . ?
 O1 Mo1 Mo4 O10 136.7(13) . . . . ?
 O1 Mo1 Mo4 Mo6 43.0(5) . . . . ?
 O1 Mo1 Mo4 N4 -98.6(19) . . . . ?
 O1 Mo1 Mo4 O5 -49(2) . . . . ?
 O1 Mo1 Mo4 O6 0.9(13) . . . . ?
 O10 Mo4 O6 Mo6 -101.2(11) . . . . ?
 O14 Mo7 O8 Mo1 55.8(14) . . . . ?
 O14 Mo7 O8 Mo5 -20.5(10) . . . . ?
 O14 P3 O13 Mo2 -71.4(9) . . . . ?
 O14 P3 O13 Mo5 -25.0(11) . . . . ?
 O14 P3 O19 Gd1 14.9(6) . . . . ?
 O14 P3 O19 Mo9 143.4(11) . . . . ?
 O11 P2 O18 Gd1 102.6(6) . . . . ?
 O11 P2 O18 Mo9 -40.3(13) . . . . ?
 O11 P2 O17 Gd1 -103.8(6) . . . . ?
 O11 P2 O17 Mo8 24.2(12) . . . . ?
 O2 Mo1 Mo4 O9 -118.7(11) . . . . ?
 O2 Mo1 Mo4 O7 145.8(11) . . . . ?
 O2 Mo1 Mo4 Mo5 91.5(11) . . . . ?
 O2 Mo1 Mo4 O10 -170(2) . . . . ?
 O2 Mo1 Mo4 Mo6 95.8(10) . . . . ?
 O2 Mo1 Mo4 N4 -46(2) . . . . ?
 O2 Mo1 Mo4 O5 4(2) . . . . ?
 O2 Mo1 Mo4 O6 53.8(12) . . . . ?
 O8 Mo1 Mo4 O9 34.6(11) . . . . ?
 O8 Mo1 Mo4 O7 -60.9(11) . . . . ?
 O8 Mo1 Mo4 Mo5 -115.2(12) . . . . ?
 O8 Mo1 Mo4 O10 -17(2) . . . . ?
 O8 Mo1 Mo4 Mo6 -110.9(10) . . . . ?
 O8 Mo1 Mo4 N4 108(2) . . . . ?
 O8 Mo1 Mo4 O5 157(2) . . . . ?
 O8 Mo1 Mo4 O6 -152.9(12) . . . . ?
 O8 Mo5 O5 Mo4 -93.8(12) . . . . ?
 O16 Mo8 O10 Mo3 62.2(11) . . . . ?
 O16 Mo8 O10 Mo4 -9.8(9) . . . . ?
 O16 P1 O9 Mo1 -71.1(9) . . . . ?
 O16 P1 O9 Mo4 -28.8(11) . . . . ?
 O16 P1 O15 Mo7 129.5(14) . . . . ?
 O31 Mo9 O12 Mo2 32(2) . . . . ?
 O31 Mo9 O12 Mo6 -42(2) . . . . ?
 O20 Mo7 O8 Mo1 141.6(14) . . . . ?
 O20 Mo7 O8 Mo5 65.3(11) . . . . ?
 O22 Mo8 O10 Mo3 151.6(11) . . . . ?
 O22 Mo8 O10 Mo4 79.5(10) . . . . ?
 O21 Mo7 O8 Mo1 -110.5(14) . . . . ?
 O21 Mo7 O8 Mo5 173.2(10) . . . . ?
 O12 Mo6 O4 Mo5 -99.7(14) . . . . ?
 O15 Mo7 O8 Mo1 -20.2(14) . . . . ?
 O15 Mo7 O8 Mo5 -96.5(11) . . . . ?
 O15 P1 O9 Mo1 47.1(11) . . . . ?
 O15 P1 O9 Mo4 89.3(11) . . . . ?
 O15 P1 O16 Gd1 -24.7(7) . . . . ?
 O15 P1 O16 Mo8 -171.1(7) . . . . ?
 O18 Mo9 O12 Mo2 65.6(14) . . . . ?
 O18 Mo9 O12 Mo6 -7.8(13) . . . . ?
 O18 P2 O11 Mo3 -74.5(10) . . . . ?
 O18 P2 O11 Mo6 -25.9(10) . . . . ?
 O18 P2 O17 Gd1 18.1(6) . . . . ?
 O18 P2 O17 Mo8 146.0(9) . . . . ?
 O17 Mo8 O10 Mo3 -10.1(11) . . . . ?
 O17 Mo8 O10 Mo4 -82.1(9) . . . . ?
 O17 P2 O11 Mo3 39.9(11) . . . . ?
 O17 P2 O11 Mo6 88.5(9) . . . . ?
 O17 P2 O18 Gd1 -18.6(6) . . . . ?
 O17 P2 O18 Mo9 -161.5(10) . . . . ?
 O25 Mo9 O12 Mo2 -97.2(15) . . . . ?
 O25 Mo9 O12 Mo6 -170.6(13) . . . . ?
 O23 Mo8 O10 Mo3 -101.4(12) . . . . ?
 O23 Mo8 O10 Mo4 -173.4(10) . . . . ?
 O19 Mo9 O12 Mo2 -6.0(14) . . . . ?
 O19 Mo9 O12 Mo6 -79.3(13) . . . . ?
 O19 P3 O13 Mo2 44.2(10) . . . . ?
 O19 P3 O13 Mo5 90.6(10) . . . . ?
 O19 P3 O14 Gd1 -16.7(7) . . . . ?
 O19 P3 O14 Mo7 -168.7(8) . . . . ?
 Mo4 Mo5 O4 Mo6 -42.8(15) . . . . ?
 Mo4 Mo6 O4 Mo5 40.0(15) . . . . ?
 Mo4 N4 C16 C17 174(5) . . . . ?
 Mo4 N4 C20 C19 -177(6) . . . . ?
 Mo6 Mo5 O5 Mo4 42.9(14) . . . . ?
 Mo6 N6 C26 C27 -179(7) . . . . ?
 Mo6 N6 C30 C29 180(7) . . . . ?
 N2 C6 C7 C8 1.0(19) . . . . ?
 C6 N2 C10 C9 1(3) . . . . ?
 C6 C7 C8 C9 -2(3) . . . . ?
 C7 C8 C9 C10 3(3) . . . . ?
 C8 C9 C10 N2 -2(4) . . . . ?
 C10 N2 C6 C7 -0.2(18) . . . . ?
 N1 Mo1 Mo4 O9 -79.7(5) . . . . ?
 N1 Mo1 Mo4 O7 -175.2(4) . . . . ?
 N1 Mo1 Mo4 Mo5 130.5(6) . . . . ?
 N1 Mo1 Mo4 O10 -131.4(13) . . . . ?
 N1 Mo1 Mo4 Mo6 134.8(4) . . . . ?
 N1 Mo1 Mo4 N4 -6.7(19) . . . . ?
 N1 Mo1 Mo4 O5 43(2) . . . . ?
 N1 Mo1 Mo4 O6 92.8(12) . . . . ?
 N1 C5 C4 C3 0.4(19) . . . . ?
 C5 N1 C1 C2 1(3) . . . . ?
 C5 C4 C3 C2 -1(3) . . . . ?
 C4 C3 C2 C1 2(4) . . . . ?
 C3 C2 C1 N1 -2(4) . . . . ?
 C1 N1 C5 C4 -0.5(18) . . . . ?
 N3 C11 C12 C13 -1(2) . . . . ?
 C11 N3 C15 C14 1(3) . . . . ?
 C11 C12 C13 C14 0(3) . . . . ?
 C12 C13 C14 C15 1(4) . . . . ?
 C13 C14 C15 N3 -2(3) . . . . ?
 C15 N3 C11 C12 0.6(17) . . . . ?
 O24 Mo9 O12 Mo2 154.0(14) . . . . ?
 O24 Mo9 O12 Mo6 80.7(13) . . . . ?
 O26 P1 O9 Mo1 160.2(17) . . . . ?
 O26 P1 O9 Mo4 -157.5(18) . . . . ?
 O26 P1 O16 Gd1 -137.0(17) . . . . ?
 O26 P1 O16 Mo8 76.6(18) . . . . ?
 O26 P1 O15 Mo7 -110(2) . . . . ?
 O27 P2 O11 Mo3 156.9(16) . . . . ?
 O27 P2 O11 Mo6 -154.5(15) . . . . ?
 O27 P2 O18 Gd1 -131.8(13) . . . . ?
 O27 P2 O18 Mo9 85.4(16) . . . . ?
 O27 P2 O17 Gd1 137.5(13) . . . . ?
 O27 P2 O17 Mo8 -94.5(15) . . . . ?
 O28 P3 O13 Mo2 165(3) . . . . ?
 O28 P3 O13 Mo5 -149(3) . . . . ?
 O28 P3 O14 Gd1 -135(3) . . . . ?
 O28 P3 O14 Mo7 73(3) . . . . ?
 O28 P3 O19 Gd1 135(3) . . . . ?
 O28 P3 O19 Mo9 -97(3) . . . . ?
 N4 Mo4 O6 Mo6 170(2) . . . . ?
 N4 C16 C17 C18 0(3) . . . . ?
 N4 C31 C32 C33 49(13) 7_556 . . . ?
 C16 N4 C20 C19 -3(6) . . . . ?
 C16 C17 C18 C19 1(7) . . . . ?
 C17 C18 C19 C20 -3(8) . . . . ?
 C18 C19 C20 N4 4(8) . . . . ?
 C20 N4 C16 C17 1(3) . . . . ?
 N5 Mo5 O5 Mo4 -180(3) . . . . ?
 N5 Mo5 O4 Mo6 -174(3) . . . . ?
 N5 C25 C24 C23 0(3) . . . . ?
 C25 N5 C21 C22 0(7) . . . . ?
 C25 C24 C23 C22 0(7) . . . . ?
 C24 C23 C22 C21 0(9) . . . . ?
 C23 C22 C21 N5 0(9) . . . . ?
 C21 N5 C25 C24 0(3) . . . . ?
 N6 Mo6 O4 Mo5 169(3) . . . . ?
 N6 C26 C27 C28 0(3) . . . . ?
 C26 N6 C30 C29 1(7) . . . . ?
 C26 C27 C28 C29 0(7) . . . . ?
 C27 C28 C29 C30 1(9) . . . . ?
 C28 C29 C30 N6 -1(9) . . . . ?
 C30 N6 C26 C27 -1(3) . . . . ?
 N10 C46 C47 C48 -1(3) . . . . ?
 C46 N10 C50 C49 -1(6) . . . . ?
 C46 C47 C48 C49 4(6) . . . . ?
 C47 C48 C49 C50 -5(8) . . . . ?
 C48 C49 C50 N10 3(8) . . . . ?
 C50 N10 C46 C47 0(3) . . . . ?
 N8 C40 C39 C38 -1(3) . . . . ?
 C40 N8 C36 C37 0(6) . . . . ?
 C40 C39 C38 C37 4(6) . . . . ?
 C39 C38 C37 C36 -4(8) . . . . ?
 C38 C37 C36 N8 2(8) . . . . ?
 C36 N8 C40 C39 0(3) . . . . ?
 N9 C45 C44 C43 0(3) . . . . ?
 C45 N9 C41 C42 -6(6) . . . . ?
 C45 C44 C43 C42 3(6) . . . . ?
 C44 C43 C42 C41 -7(8) . . . . ?
 C43 C42 C41 N9 8(7) . . . . ?
 C41 N9 C45 C44 2(3) . . . . ?
 N11 C55 C54 C53 0(3) . . . . ?
 C55 N11 C51 C52 -2(6) . . . . ?
 C55 C54 C53 C52 0(6) . . . . ?
 C54 C53 C52 C51 -1(8) . . . . ?
 C53 C52 C51 N11 1(8) . . . . ?
 C51 N11 C55 C54 1(3) . . . . ?
 N12 C56 C57 C58 1(3) . . . . ?
 C56 N12 C60 C59 0(7) . . . . ?
 C56 C57 C58 C59 -1(7) . . . . ?
 C57 C58 C59 C60 1(9) . . . . ?
 C58 C59 C60 N12 -1(9) . . . . ?
 C60 N12 C56 C57 0(3) . . . . ?
 O5 Mo5 O4 Mo6 -95.0(15) . . . . ?
 O5 Mo4 O6 Mo6 83.6(13) . . . . ?
 O4 Mo5 O5 Mo4 92.3(14) . . . . ?
 O6 Mo6 O4 Mo5 81.0(16) . . . . ?
 N7 C31 C32 C33 0(2) . . . . ?
 C31 N7 C35 C34 -4(5) . . . . ?
 C31 C32 C33 C34 1(5) . . . . ?
 C32 C33 C34 C35 -4(6) . . . . ?
 C33 C34 C35 N7 5(5) . . . . ?
 C35 N7 C31 N4 -163(6) . . . 7_556 ?
 C35 N7 C31 C32 2(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.214
_oxdiff_exptl_absorpt_empirical_full_min  0.873
loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.9864(7)
 2 0.0136(7)

