data_7-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'
_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          7-Gd
_chemical_formula_moiety          
 'C30 H37 Gd2 Mo12 N6 O55 P9, 9(H2 O), 2(H3 O), 4(C5 H6 N)'
_chemical_formula_sum              'C50 H85 Gd2 Mo12 N10 O66 P9'
_chemical_formula_weight           3626.79
_chemical_melting_point            ?
_chemical_oxdiff_formula           H13Gd2Mo12P9O55(C5H5N)6
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        'hexagonal'
_space_group_IT_number             176
_space_group_name_H-M_alt          'P 63/m'
_space_group_name_Hall             '-P 6c'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-x, -y, z+1/2'
 'y, -x+y, z+1/2'
 'x-y, x, z+1/2'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 'x, y, -z-1/2'
 '-y, x-y, -z-1/2'
 '-x+y, -x, -z-1/2'

_cell_length_a                     15.3617(5)
_cell_length_b                     15.3617(5)
_cell_length_c                     32.5611(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       6654.4(5)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      13916
_cell_measurement_temperature      99.98(10)
_cell_measurement_theta_max        31.9060
_cell_measurement_theta_min        2.4030
_shelx_estimated_absorpt_T_max     0.978
_shelx_estimated_absorpt_T_min     0.895
_exptl_absorpt_coefficient_mu      2.262
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.36376
_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              'dark red'
_exptl_crystal_colour_modifier     dark
_exptl_crystal_colour_primary      red
_exptl_crystal_density_diffrn      1.810
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               3500
_exptl_crystal_size_max            0.05
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.01
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0461
_diffrn_reflns_av_unetI/netI       0.0272
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         17
_diffrn_reflns_limit_h_min         -18
_diffrn_reflns_limit_k_max         17
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         32
_diffrn_reflns_limit_l_min         -38
_diffrn_reflns_number              27311
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          25.022
_diffrn_reflns_theta_max           25.022
_diffrn_reflns_theta_min           1.977
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        99.98(10)
_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    -53.00  11.00   0.50    0.75    --  -14.75 -69.00-174.00  128
  2  ω     45.00  89.00   0.50    0.75    --   15.53-178.00-120.00   88
  3  ω    -94.00 -47.00   0.50    0.75    --  -14.75 178.00-120.00   94
  4  ω     54.00  94.00   0.50    0.75    --   15.53 178.00 150.00   80
;
_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        0.0150520000
_diffrn_orient_matrix_UB_12        0.0503773000
_diffrn_orient_matrix_UB_13        -0.0053422000
_diffrn_orient_matrix_UB_21        0.0300747000
_diffrn_orient_matrix_UB_22        -0.0019961000
_diffrn_orient_matrix_UB_23        -0.0161073000
_diffrn_orient_matrix_UB_31        -0.0413391000
_diffrn_orient_matrix_UB_32        -0.0173899000
_diffrn_orient_matrix_UB_33        -0.0136315000
_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                  3076
_reflns_number_total               4004
_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.
;
_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           1.789
_refine_diff_density_min           -1.045
_refine_diff_density_rms           0.190
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.173
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       478
_refine_ls_number_reflns           4004
_refine_ls_number_restraints       564
_refine_ls_R_factor_all            0.0884
_refine_ls_R_factor_gt             0.0621
_refine_ls_restrained_S_all        1.102
_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)+(0.0620P)²+107.0955P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1575
_refine_ls_wR_factor_ref           0.1799
_refine_special_details            ?
_olex2_refinement_description
;
1. Restrained distances
 N2-Mo1_$2
 4.664 with sigma of 0.02
 N2-C10 = N2-C6
 1.33 with sigma of 0.02
 Mo2-N2
 2.2 with sigma of 0.02
 N2-C8
 2.817 with sigma of 0.02
 N3-C11 = N3-C15
 1.33 with sigma of 0.02
 Mo2-C8
 4.95 with sigma of 0.02
 C10-C9 = C7-C6
 1.38 with sigma of 0.02
 N5-C25 = N5-C21
 1.33 with sigma of 0.02
 C9-C8 = C8-C7
 1.37 with sigma of 0.02
 C11-C12 = C14-C15
 1.38 with sigma of 0.02
 N4-C20 = N4-C16
 1.33 with sigma of 0.02
 C25-C24 = C22-C21
 1.38 with sigma of 0.02
 C24-C23 = C23-C22
 1.37 with sigma of 0.02
 C12-C13 = C13-C14
 1.37 with sigma of 0.02
 C20-C19 = C17-C16
 1.38 with sigma of 0.02
 C19-C18 = C18-C17
 1.37 with sigma of 0.02
 Mo1_$2-O2_$1
 1.42 with sigma of 0.02
 O2_$2-Mo1
 1.2 with sigma of 0.02
 Mo2-O2
 1.9 with sigma of 0.02
 O2_$2-Mo2
 1.9 with sigma of 0.02
 N2-C9
 2.4 with sigma of 0.04
 N2-C7
 2.39 with sigma of 0.04
 C10-C8
 2.36 with sigma of 0.04
 N5-C24
 2.4 with sigma of 0.04
 C9-C7
 2.35 with sigma of 0.04
 C8-C6
 2.37 with sigma of 0.04
 Mo2-C8
 5.017 with sigma of 0.04
 N3-C12
 2.4 with sigma of 0.04
 N3-C14
 2.39 with sigma of 0.04
 N5-C22
 2.39 with sigma of 0.04
 C25-C23
 2.36 with sigma of 0.04
 C11-C13
 2.36 with sigma of 0.04
 N4-C19
 2.4 with sigma of 0.04
 C24-C22
 2.35 with sigma of 0.04
 C12-C14
 2.35 with sigma of 0.04
 C13-C15
 2.37 with sigma of 0.04
 C23-C21
 2.37 with sigma of 0.04
 N4-C17
 2.39 with sigma of 0.04
 C20-C18
 2.36 with sigma of 0.04
 C19-C17
 2.35 with sigma of 0.04
 C18-C16
 2.37 with sigma of 0.04
 Mo2_$1-C6_$2 \\sim C6_$2-Mo2
 with sigma of 0.02
 C10-Mo2 \\sim Mo2-C6
 with sigma of 0.02
2. Restrained planarity
 Mo2, N2, C10, C9, C8, C7, C6
 with sigma of 0.1
 N3, C11, C12, C13, C14, C15
 with sigma of 0.1
 N5, C21, C22, C23, C24, C25
 with sigma of 0.1
 N4, C16, C17, C18, C19, C20
 with sigma of 0.02
3. 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
N5 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25: 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
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
Uanis(P2) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(P3) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(N2) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C6) \\sim
Ueq, Uanis(C10) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(O10) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O17) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(N3) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(N5) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C21)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
Uanis(O18) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O15) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
Uanis(O13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O14) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(Mo2) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 N2, C6, C7, C8, C9, C10
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N5, C21, C22, C23, C24, C25
 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
5. Others
 1*[Sof(Mo2)+Sof(O2)+Sof(N2)+Sof(C6)+Sof(H6)+Sof(C7)+Sof(H7)+Sof(C8)+Sof(H8)+
 Sof(C9)+Sof(H9)+Sof(C10)+Sof(H10)]+1*[Sof(Mo1)+Sof(O1)+Sof(N1)+Sof(C1)+
 Sof(H1A)+Sof(C2)+Sof(H2A)+Sof(C3)+Sof(H3A)+Sof(C4)+Sof(H4)+Sof(C5)+Sof(H5)]=1
 with esd of 0.0001
 Sof(P3)=Sof(H3)=0.5*(1-FVAR(2))
 Sof(P2)=Sof(H2)=0.5*FVAR(2)
 Sof(Mo2)=Sof(O2)=Sof(N2)=Sof(C6)=Sof(H6)=Sof(C7)=Sof(H7)=Sof(C8)=Sof(H8)=
 Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10)=FVAR(2)
 Sof(Mo1)=Sof(O1)=Sof(N1)=Sof(C1)=Sof(H1A)=Sof(C2)=Sof(H2A)=Sof(C3)=Sof(H3A)=
 Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=FVAR(3)
 Fixed Sof: H1(0.6667) O10(0.3333) O13(0.3333) H13A(0.3333) H13B(0.3333)
 O14(0.25) H14A(0.25) H14B(0.25) O15(0.2917) H15A(0.2917) H15B(0.2917)
 O16(0.125) H16A(0.125) H16B(0.125) O17(0.5) H17A(0.5) H17B(0.5) O18(0.3333)
 H18A(0.3333) H18B(0.3333) H18C(0.3333) N3(0.3333) H3B(0.3333) C11(0.3333)
 H11(0.3333) C12(0.3333) H12(0.3333) C13(0.3333) H13(0.3333) C14(0.3333)
 H14(0.3333) C15(0.3333) H15(0.3333) N4(0.25) H4A(0.25) C16(0.25) H16(0.25)
 C17(0.25) H17(0.25) C18(0.25) H18(0.25) C19(0.25) H19(0.25) C20(0.25)
 H20(0.25) N5(0.0833) H5A(0.0833) C21(0.0833) H21(0.0833) C22(0.0833)
 H22(0.0833) C23(0.0833) H23(0.0833) C24(0.0833) H24(0.04165) C25(0.0833)
 H25(0.0833)
6.a Riding coordinates:
 P1(H1), P2(H2), P3(H3), O13(H13A,H13B), O14(H14A,H14B), O15(H15A,H15B),
 O16(H16A,H16B), O17(H17A,H17B), O18(H18A,H18B,H18C)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3A), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9),
 C10(H10), N3(H3B), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), N4(H4A),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), N5(H5A), C21(H21), C22(H22),
 C23(H23), C24(H24), C25(H25)
;
_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 0.333333 0.666667 0.80739(2) 0.0429(3) Uani 1 3 d S T P C .
 Mo1 Mo 0.23490(7) 0.57636(8) 0.56899(2) 0.0351(3) Uani 0.960(2) 1 d . . P A 1
 Mo2 Mo 0.242(2) 0.654(2) 0.5689(7) 0.055(9) Uani 0.040(2) 1 d D U P A 2
 Mo3 Mo 0.05039(7) 0.53314(8) 0.64955(2) 0.0388(3) Uani 1 1 d . . . . .
 P1 P 0.2143(3) 0.4470(3) 0.65055(8) 0.0466(8) Uani 1 1 d . . . . .
 H1 H 0.159049 0.348576 0.664547 0.070 Uiso 0.6667 1 d R U P B 1
 P2 P 0.1011(5) 0.5354(8) 0.750000 0.031(3) Uani 0.57(2) 2 d S TU P C 1
 H2 H 0.099516 0.444127 0.750000 0.037 Uiso 0.57(2) 2 d R U P C 1
 P3 P 0.1024(6) 0.5888(10) 0.750000 0.025(3) Uani 0.43(2) 2 d S TU P C 2
 H3 H 0.105487 0.680844 0.750000 0.030 Uiso 0.43(2) 2 d R U P C 2
 O1 O 0.2329(6) 0.6755(6) 0.53382(19) 0.0389(18) Uani 0.960(2) 1 d . . P A 1
 O2 O 0.317(4) 0.766(10) 0.534(4) 0.05(5) Uani 0.040(2) 1 d D U P A 2
 O3 O 0.333333 0.666667 0.6141(3) 0.028(2) Uani 1 3 d S T P . .
 O4 O 0.1150(5) 0.5609(6) 0.60070(18) 0.0411(18) Uani 1 1 d . . . . .
 O5 O 0.2095(6) 0.4490(6) 0.60384(19) 0.0450(19) Uani 1 1 d . . . . .
 O6 O 0.1777(6) 0.5118(7) 0.6708(2) 0.052(2) Uani 1 1 d . . . . .
 O7 O 0.3209(7) 0.4960(9) 0.6680(2) 0.069(3) Uani 1 1 d . . . . .
 O8 O -0.0301(7) 0.5785(7) 0.6436(2) 0.056(2) Uani 1 1 d . . . . .
 O9 O -0.0243(6) 0.4055(7) 0.6467(2) 0.052(2) Uani 1 1 d . . . . .
 O10 O 0.161(3) 0.340(3) 0.6633(12) 0.106(12) Uani 0.3333 1 d . U P D 2
 O11 O 0.0399(5) 0.5324(6) 0.7130(2) 0.0427(19) Uani 1 1 d . . . . .
 O12 O 0.2123(8) 0.6163(8) 0.750000 0.035(2) Uani 1 2 d S T P . .
 N1 N 0.1187(8) 0.4682(8) 0.5267(2) 0.043(2) Uani 0.960(2) 1 d . . P A 1
 N2 N 0.116(6) 0.625(7) 0.529(3) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 C1 C 0.0299(10) 0.3972(11) 0.5398(3) 0.056(4) Uani 0.960(2) 1 d . . P A 1
 H1A H 0.019338 0.388596 0.568638 0.067 Uiso 0.960(2) 1 calc R U P A 1
 C2 C -0.0487(12) 0.3347(14) 0.5142(5) 0.075(5) Uani 0.960(2) 1 d . . P A 1
 H2A H -0.113267 0.288177 0.524754 0.090 Uiso 0.960(2) 1 calc R U P A 1
 C3 C -0.0288(12) 0.3434(12) 0.4732(4) 0.065(4) Uani 0.960(2) 1 d . . P A 1
 H3A H -0.079136 0.298652 0.454691 0.078 Uiso 0.960(2) 1 calc R U P A 1
 C4 C 0.0619(11) 0.4151(11) 0.4582(3) 0.056(4) Uani 0.960(2) 1 d . . P A 1
 H4 H 0.074375 0.422421 0.429524 0.067 Uiso 0.960(2) 1 calc R U P A 1
 C5 C 0.1357(11) 0.4772(9) 0.4861(3) 0.048(3) Uani 0.960(2) 1 d . . P A 1
 H5 H 0.199567 0.526983 0.476101 0.058 Uiso 0.960(2) 1 calc R U P A 1
 C6 C 0.035(5) 0.626(8) 0.542(6) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 H6 H 0.032811 0.640267 0.570290 0.164 Uiso 0.040(2) 1 calc R U P A 2
 C7 C -0.046(8) 0.607(10) 0.518(7) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 H7 H -0.101914 0.608059 0.529048 0.164 Uiso 0.040(2) 1 calc R U P A 2
 C8 C -0.044(12) 0.586(17) 0.477(7) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 H8 H -0.098674 0.573335 0.459280 0.164 Uiso 0.040(2) 1 calc R U P A 2
 C9 C 0.039(14) 0.59(2) 0.462(5) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 H9 H 0.043401 0.571590 0.433880 0.164 Uiso 0.040(2) 1 calc R U P A 2
 C10 C 0.116(11) 0.605(19) 0.489(3) 0.14(5) Uani 0.040(2) 1 d D U P A 2
 H10 H 0.172818 0.603402 0.478257 0.164 Uiso 0.040(2) 1 calc R U P A 2
 O13 O -0.058(4) 0.208(3) 0.6221(15) 0.115(14) Uani 0.3333 1 d . U P . .
 H13A H -0.065016 0.170967 0.643594 0.173 Uiso 0.3333 1 d R U P . .
 H13B H -0.043536 0.265887 0.632153 0.173 Uiso 0.3333 1 d R U P . .
 O14 O 0.070(5) 0.166(5) 0.486(2) 0.15(2) Uani 0.25 1 d . U P . .
 H14A H 0.105962 0.140592 0.494152 0.224 Uiso 0.25 1 d R U P . .
 H14B H 0.061432 0.193992 0.507560 0.224 Uiso 0.25 1 d R U P . .
 O15 O 0.094(4) 0.229(4) 0.5781(17) 0.130(18) Uani 0.2917 1 d . U P . .
 H15A H 0.035814 0.217143 0.587679 0.194 Uiso 0.2917 1 d R U P . .
 H15B H 0.108174 0.190133 0.592358 0.194 Uiso 0.2917 1 d R U P . .
 O16 O 0.040(8) 0.121(8) 0.649(3) 0.10(3) Uani 0.125 1 d . U P . .
 H16A H 0.064500 0.161607 0.669468 0.150 Uiso 0.125 1 d R U P . .
 H16B H 0.069830 0.085627 0.649360 0.150 Uiso 0.125 1 d R U P . .
 O17 O -0.035(2) 0.762(2) 0.6335(13) 0.158(14) Uani 0.5 1 d . U P . .
 H17A H -0.049914 0.702778 0.642163 0.237 Uiso 0.5 1 d R U P . .
 H17B H 0.025601 0.782996 0.642479 0.237 Uiso 0.5 1 d R U P . .
 O18 O -0.140(4) 0.210(3) 0.6171(13) 0.119(15) Uani 0.3333 1 d . U P . .
 H18A H -0.078489 0.251798 0.610154 0.179 Uiso 0.3333 1 d R U P . .
 H18B H -0.153719 0.153689 0.605094 0.179 Uiso 0.3333 1 d R U P . .
 H18C H -0.106169 0.266998 0.629794 0.179 Uiso 0.3333 1 d R U P . .
 N3 N -0.430(4) 0.296(4) 0.611(2) 0.063(10) Uani 0.3333 1 d D U P E -1
 H3B H -0.495557 0.266158 0.612973 0.075 Uiso 0.3333 1 calc R U P E -1
 C11 C -0.381(4) 0.246(4) 0.6142(14) 0.066(10) Uani 0.3333 1 d D U P E -1
 H11 H -0.418773 0.175302 0.619045 0.079 Uiso 0.3333 1 calc R U P E -1
 C12 C -0.277(4) 0.289(4) 0.611(3) 0.062(10) Uani 0.3333 1 d D U P E -1
 H12 H -0.245553 0.249708 0.613926 0.075 Uiso 0.3333 1 calc R U P E -1
 C13 C -0.221(4) 0.390(4) 0.603(2) 0.051(9) Uani 0.3333 1 d D U P E -1
 H13 H -0.150556 0.421060 0.599066 0.062 Uiso 0.3333 1 calc R U P E -1
 C14 C -0.270(4) 0.444(4) 0.6012(16) 0.053(8) Uani 0.3333 1 d D U P E -1
 H14 H -0.232656 0.514868 0.597243 0.064 Uiso 0.3333 1 calc R U P E -1
 C15 C -0.372(4) 0.395(4) 0.605(3) 0.054(9) Uani 0.3333 1 d D U P E -1
 H15 H -0.404644 0.433808 0.603481 0.065 Uiso 0.3333 1 calc R U P E -1
 N4 N -0.209(3) 0.202(3) 0.7109(12) 0.098(14) Uani 0.25 1 d D U P F -1
 H4A H -0.201387 0.183317 0.686206 0.118 Uiso 0.25 1 calc R U P F -1
 C16 C -0.143(3) 0.291(3) 0.7257(14) 0.098(15) Uani 0.25 1 d D U P F -1
 H16 H -0.087895 0.334572 0.708918 0.117 Uiso 0.25 1 calc R U P F -1
 C17 C -0.151(3) 0.324(3) 0.7641(14) 0.096(15) Uani 0.25 1 d D U P F -1
 H17 H -0.102399 0.388568 0.773544 0.115 Uiso 0.25 1 calc R U P F -1
 C18 C -0.231(4) 0.261(4) 0.7881(13) 0.092(14) Uani 0.25 1 d D U P F -1
 H18 H -0.237903 0.281228 0.814816 0.110 Uiso 0.25 1 calc R U P F -1
 C19 C -0.299(3) 0.169(4) 0.7734(15) 0.100(15) Uani 0.25 1 d D U P F -1
 H19 H -0.355445 0.123921 0.789560 0.120 Uiso 0.25 1 calc R U P F -1
 C20 C -0.285(3) 0.142(3) 0.7346(15) 0.091(15) Uani 0.25 1 d D U P F -1
 H20 H -0.332494 0.077278 0.724413 0.109 Uiso 0.25 1 calc R U P F -1
 N5 N 0.080(8) 0.317(8) 0.753(5) 0.09(2) Uani 0.0833 1 d D U P G -1
 H5A H 0.055399 0.354498 0.761792 0.105 Uiso 0.0833 1 calc R U P G -1
 C21 C 0.025(7) 0.229(8) 0.735(4) 0.09(2) Uani 0.0833 1 d D U P G -1
 H21 H -0.044542 0.205358 0.731341 0.106 Uiso 0.0833 1 calc R U P G -1
 C22 C 0.061(8) 0.169(8) 0.720(4) 0.08(2) Uani 0.0833 1 d D U P G -1
 H22 H 0.016444 0.105046 0.708511 0.100 Uiso 0.0833 1 calc R U P G -1
 C23 C 0.162(9) 0.201(9) 0.723(4) 0.08(2) Uani 0.0833 1 d D U P G -1
 H23 H 0.189624 0.163728 0.711704 0.100 Uiso 0.0833 1 calc R U P G -1
 C24 C 0.220(6) 0.289(9) 0.744(5) 0.08(2) Uani 0.0833 1 d D U P G -1
 H24 H 0.288887 0.311886 0.749541 0.101 Uiso 0.0833 1 calc R U P G -1
 C25 C 0.176(7) 0.343(7) 0.757(5) 0.09(2) Uani 0.0833 1 d D U P G -1
 H25 H 0.218483 0.405610 0.769718 0.106 Uiso 0.0833 1 calc R U P G -1


_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 3.230(3) 11_667 ?
 Gd1 P1 3.230(3) 12_567 ?
 Gd1 O3 2.556(10) 10_557 ?
 Gd1 O6 2.488(9) 11_667 ?
 Gd1 O6 2.488(9) 10_557 ?
 Gd1 O6 2.488(9) 12_567 ?
 Gd1 O7 2.655(12) 11_667 ?
 Gd1 O7 2.655(11) 12_567 ?
 Gd1 O7 2.655(11) 10_557 ?
 Gd1 O12 2.471(7) 2_665 ?
 Gd1 O12 2.471(7) . ?
 Gd1 O12 2.471(7) 3_565 ?
 Mo1 Mo1 2.5179(18) 3_565 ?
 Mo1 Mo1 2.5179(18) 2_665 ?
 Mo1 O1 1.921(7) 2_665 ?
 Mo1 O1 1.918(7) . ?
 Mo1 O3 2.067(7) . ?
 Mo1 O4 2.020(7) . ?
 Mo1 O5 2.122(8) . ?
 Mo1 N1 2.209(10) . ?
 Mo2 Mo2 2.29(6) 2_665 ?
 Mo2 Mo2 2.29(6) 3_565 ?
 Mo2 O2 1.91(2) 2_665 ?
 Mo2 O2 1.90(2) . ?
 Mo2 O3 1.98(3) . ?
 Mo2 O4 2.03(3) . ?
 Mo2 O5 2.40(3) 3_565 ?
 Mo2 N2 2.181(17) . ?
 Mo3 O4 1.809(6) . ?
 Mo3 O6 2.248(8) . ?
 Mo3 O7 2.182(9) 3_565 ?
 Mo3 O8 1.707(9) . ?
 Mo3 O9 1.708(9) . ?
 Mo3 O11 2.071(7) . ?
 P1 H1 1.3902 . ?
 P1 O5 1.524(7) . ?
 P1 O6 1.518(9) . ?
 P1 O7 1.529(10) . ?
 P1 O10 1.48(4) . ?
 P2 H2 1.3901 . ?
 P2 O11 1.515(8) 10_557 ?
 P2 O11 1.515(8) . ?
 P2 O12 1.530(13) . ?
 P3 H3 1.3910 . ?
 P3 O11 1.514(9) . ?
 P3 O11 1.514(9) 10_557 ?
 P3 O12 1.522(14) . ?
 N1 C1 1.322(17) . ?
 N1 C5 1.341(14) . ?
 N2 C6 1.33(2) . ?
 N2 C10 1.33(2) . ?
 C1 H1A 0.9500 . ?
 C1 C2 1.384(19) . ?
 C2 H2A 0.9500 . ?
 C2 C3 1.36(2) . ?
 C3 H3A 0.9500 . ?
 C3 C4 1.36(2) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.391(17) . ?
 C5 H5 0.9500 . ?
 C6 H6 0.9500 . ?
 C6 C7 1.38(2) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.37(2) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.37(2) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.38(2) . ?
 C10 H10 0.9500 . ?
 O13 H13A 0.8699 . ?
 O13 H13B 0.8700 . ?
 O13 H18A 0.9631 . ?
 O13 H18B 1.3955 . ?
 O13 H18C 1.4566 . ?
 O14 H14A 0.8702 . ?
 O14 H14B 0.8699 . ?
 O15 H15A 0.8698 . ?
 O15 H15B 0.8699 . ?
 O16 H16A 0.8700 . ?
 O16 H16B 0.8700 . ?
 O17 H17A 0.8596 . ?
 O17 H17B 0.8626 . ?
 O18 H13B 1.3827 . ?
 O18 H18A 0.8700 . ?
 O18 H18B 0.8700 . ?
 O18 H18C 0.8718 . ?
 N3 H3B 0.8800 . ?
 N3 C11 1.33(2) . ?
 N3 C15 1.34(2) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.389(19) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.362(19) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.373(19) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.372(19) . ?
 C15 H15 0.9500 . ?
 N4 H4A 0.8800 . ?
 N4 C16 1.31(2) . ?
 N4 C20 1.32(2) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.376(19) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.36(2) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.36(2) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.382(19) . ?
 C20 H20 0.9500 . ?
 N5 H5A 0.8800 . ?
 N5 C21 1.33(2) . ?
 N5 C25 1.32(2) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.37(2) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.37(2) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.37(2) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.37(2) . ?
 C25 H25 0.9500 . ?

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
 P1 Gd1 P1 103.31(6) 12_567 11_667 ?
 O3 Gd1 P1 64.91(5) 10_557 11_667 ?
 O3 Gd1 P1 64.91(5) 10_557 12_567 ?
 O3 Gd1 O7 72.42(16) 10_557 11_667 ?
 O3 Gd1 O7 72.42(16) 10_557 12_567 ?
 O3 Gd1 O7 72.42(16) 10_557 10_557 ?
 O6 Gd1 P1 27.0(2) 11_667 11_667 ?
 O6 Gd1 P1 85.2(2) 10_557 12_567 ?
 O6 Gd1 P1 127.67(18) 11_667 12_567 ?
 O6 Gd1 P1 127.67(18) 10_557 11_667 ?
 O6 Gd1 P1 85.2(2) 12_567 11_667 ?
 O6 Gd1 P1 27.0(2) 12_567 12_567 ?
 O6 Gd1 O3 73.44(16) 12_567 10_557 ?
 O6 Gd1 O3 73.44(16) 10_557 10_557 ?
 O6 Gd1 O3 73.44(16) 11_667 10_557 ?
 O6 Gd1 O6 112.22(15) 12_567 11_667 ?
 O6 Gd1 O6 112.22(15) 12_567 10_557 ?
 O6 Gd1 O6 112.22(14) 10_557 11_667 ?
 O6 Gd1 O7 53.8(3) 12_567 12_567 ?
 O6 Gd1 O7 60.4(3) 11_667 10_557 ?
 O6 Gd1 O7 145.7(2) 11_667 12_567 ?
 O6 Gd1 O7 53.8(3) 10_557 10_557 ?
 O6 Gd1 O7 53.8(3) 11_667 11_667 ?
 O6 Gd1 O7 60.4(3) 10_557 12_567 ?
 O6 Gd1 O7 145.7(2) 12_567 10_557 ?
 O6 Gd1 O7 145.7(2) 10_557 11_667 ?
 O6 Gd1 O7 60.4(3) 12_567 11_667 ?
 O7 Gd1 P1 83.5(2) 10_557 11_667 ?
 O7 Gd1 P1 28.0(2) 11_667 11_667 ?
 O7 Gd1 P1 28.0(2) 12_567 12_567 ?
 O7 Gd1 P1 127.74(18) 10_557 12_567 ?
 O7 Gd1 P1 83.5(2) 11_667 12_567 ?
 O7 Gd1 P1 127.74(18) 12_567 11_667 ?
 O7 Gd1 O7 111.29(15) 11_667 10_557 ?
 O7 Gd1 O7 111.29(15) 12_567 10_557 ?
 O7 Gd1 O7 111.29(15) 12_567 11_667 ?
 O12 Gd1 P1 92.8(2) 3_565 12_567 ?
 O12 Gd1 P1 90.0(2) 3_565 11_667 ?
 O12 Gd1 P1 155.87(19) . 11_667 ?
 O12 Gd1 P1 155.87(18) 2_665 12_567 ?
 O12 Gd1 P1 92.8(2) 2_665 11_667 ?
 O12 Gd1 P1 90.0(2) . 12_567 ?
 O12 Gd1 O3 139.12(18) . 10_557 ?
 O12 Gd1 O3 139.12(18) 3_565 10_557 ?
 O12 Gd1 O3 139.12(18) 2_665 10_557 ?
 O12 Gd1 O6 72.7(3) . 10_557 ?
 O12 Gd1 O6 99.1(3) 2_665 10_557 ?
 O12 Gd1 O6 141.7(3) 3_565 10_557 ?
 O12 Gd1 O6 99.1(3) . 12_567 ?
 O12 Gd1 O6 141.7(3) . 11_667 ?
 O12 Gd1 O6 141.7(3) 2_665 12_567 ?
 O12 Gd1 O6 72.7(3) 2_665 11_667 ?
 O12 Gd1 O6 99.1(3) 3_565 11_667 ?
 O12 Gd1 O6 72.7(3) 3_565 12_567 ?
 O12 Gd1 O7 104.3(3) 3_565 12_567 ?
 O12 Gd1 O7 104.3(3) 2_665 11_667 ?
 O12 Gd1 O7 139.4(3) 2_665 12_567 ?
 O12 Gd1 O7 104.3(3) . 10_557 ?
 O12 Gd1 O7 139.4(3) . 11_667 ?
 O12 Gd1 O7 71.3(3) . 12_567 ?
 O12 Gd1 O7 139.3(3) 3_565 10_557 ?
 O12 Gd1 O7 71.3(3) 3_565 11_667 ?
 O12 Gd1 O7 71.3(3) 2_665 10_557 ?
 O12 Gd1 O12 69.1(3) . 2_665 ?
 O12 Gd1 O12 69.1(3) 3_565 . ?
 O12 Gd1 O12 69.1(3) 3_565 2_665 ?
 Mo1 Mo1 Mo1 60.0 3_565 2_665 ?
 O1 Mo1 Mo1 49.0(2) 2_665 2_665 ?
 O1 Mo1 Mo1 94.1(2) 2_665 3_565 ?
 O1 Mo1 Mo1 49.1(2) . 3_565 ?
 O1 Mo1 Mo1 94.2(2) . 2_665 ?
 O1 Mo1 O1 93.5(4) . 2_665 ?
 O1 Mo1 O3 100.7(3) 2_665 . ?
 O1 Mo1 O3 100.8(3) . . ?
 O1 Mo1 O4 91.3(3) . . ?
 O1 Mo1 O4 165.3(3) 2_665 . ?
 O1 Mo1 O5 89.7(3) 2_665 . ?
 O1 Mo1 O5 169.3(3) . . ?
 O1 Mo1 N1 84.1(3) . . ?
 O1 Mo1 N1 83.4(3) 2_665 . ?
 O3 Mo1 Mo1 52.48(15) . 2_665 ?
 O3 Mo1 Mo1 52.48(15) . 3_565 ?
 O3 Mo1 O5 88.5(2) . . ?
 O3 Mo1 N1 173.3(3) . . ?
 O4 Mo1 Mo1 144.4(2) . 2_665 ?
 O4 Mo1 Mo1 99.5(2) . 3_565 ?
 O4 Mo1 O3 91.9(2) . . ?
 O4 Mo1 O5 83.2(3) . . ?
 O4 Mo1 N1 83.3(3) . . ?
 O5 Mo1 Mo1 140.9(2) . 3_565 ?
 O5 Mo1 Mo1 95.6(2) . 2_665 ?
 O5 Mo1 N1 86.2(3) . . ?
 N1 Mo1 Mo1 132.2(3) . 2_665 ?
 N1 Mo1 Mo1 133.0(3) . 3_565 ?
 O2 Mo2 O3 106(2) . . ?
 O2 Mo2 O3 106(2) 2_665 . ?
 O2 Mo2 O4 152(4) . . ?
 O2 Mo2 O4 94(6) 2_665 . ?
 O2 Mo2 N2 85(3) . . ?
 O2 Mo2 N2 78(4) 2_665 . ?
 O3 Mo2 Mo2 54.6(7) . 3_565 ?
 O3 Mo2 Mo2 54.6(7) . 2_665 ?
 O3 Mo2 O4 94.2(11) . . ?
 O3 Mo2 O5 83.3(9) . 3_565 ?
 O3 Mo2 N2 168(3) . . ?
 O4 Mo2 Mo2 108.7(19) . 2_665 ?
 O4 Mo2 Mo2 148.4(8) . 3_565 ?
 O4 Mo2 O5 87.0(11) . 3_565 ?
 O4 Mo2 N2 74(3) . . ?
 O4 Mo3 O6 83.7(3) . . ?
 O4 Mo3 O7 84.4(3) . 3_565 ?
 O4 Mo3 O11 155.5(3) . . ?
 O7 Mo3 O6 71.6(4) 3_565 . ?
 O8 Mo3 O4 103.2(3) . . ?
 O8 Mo3 O6 162.8(4) . . ?
 O8 Mo3 O7 93.2(5) . 3_565 ?
 O8 Mo3 O9 104.7(4) . . ?
 O8 Mo3 O11 92.6(3) . . ?
 O9 Mo3 O4 101.4(4) . . ?
 O9 Mo3 O6 89.1(4) . . ?
 O9 Mo3 O7 159.2(4) . 3_565 ?
 O9 Mo3 O11 92.4(3) . . ?
 O11 Mo3 O6 76.3(3) . . ?
 O11 Mo3 O7 76.0(3) . 3_565 ?
 Gd1 P1 H1 135.7 10_557 . ?
 O5 P1 Gd1 114.2(3) . 10_557 ?
 O5 P1 H1 109.9 . . ?
 O5 P1 O7 114.3(5) . . ?
 O6 P1 Gd1 48.1(3) . 10_557 ?
 O6 P1 H1 110.2 . . ?
 O6 P1 O5 112.5(5) . . ?
 O6 P1 O7 99.9(5) . . ?
 O7 P1 Gd1 54.6(4) . 10_557 ?
 O7 P1 H1 109.6 . . ?
 O10 P1 O5 107.3(16) . . ?
 O10 P1 O6 115.2(17) . . ?
 O10 P1 O7 107.6(18) . . ?
 O11 P2 H2 105.8 . . ?
 O11 P2 H2 105.8 10_557 . ?
 O11 P2 O11 105.4(7) . 10_557 ?
 O11 P2 O12 116.7(6) . . ?
 O11 P2 O12 116.7(6) 10_557 . ?
 O12 P2 H2 105.6 . . ?
 O11 P3 H3 105.7 . . ?
 O11 P3 H3 105.7 10_557 . ?
 O11 P3 O11 105.5(8) 10_557 . ?
 O11 P3 O12 117.2(6) 10_557 . ?
 O11 P3 O12 117.2(6) . . ?
 O12 P3 H3 104.4 . . ?
 Mo1 O1 Mo1 82.0(3) . 3_565 ?
 Mo1 O3 Gd1 135.3(2) . 10_557 ?
 Mo1 O3 Gd1 135.3(2) 2_665 10_557 ?
 Mo1 O3 Gd1 135.3(2) 3_565 10_557 ?
 Mo1 O3 Mo1 75.0(3) 3_565 . ?
 Mo1 O3 Mo1 75.0(3) . 2_665 ?
 Mo1 O3 Mo1 75.0(3) 3_565 2_665 ?
 Mo2 O3 Mo1 32.9(9) 2_665 2_665 ?
 Mo2 O3 Mo1 47.3(9) 3_565 2_665 ?
 Mo2 O3 Mo1 86.1(9) . 2_665 ?
 Mo3 O4 Mo1 146.9(4) . . ?
 Mo3 O4 Mo2 146.4(8) . . ?
 Mo1 O5 Mo2 41.6(8) . 2_665 ?
 P1 O5 Mo1 124.3(5) . . ?
 P1 O5 Mo2 117.5(8) . 2_665 ?
 Mo3 O6 Gd1 116.0(4) . 10_557 ?
 P1 O6 Gd1 104.9(4) . 10_557 ?
 P1 O6 Mo3 126.6(4) . . ?
 Mo3 O7 Gd1 112.0(5) 2_665 10_557 ?
 P1 O7 Gd1 97.4(5) . 10_557 ?
 P1 O7 Mo3 137.6(5) . 2_665 ?
 P2 O11 Mo3 138.4(5) . . ?
 P3 O11 Mo3 139.9(5) . . ?
 Gd1 O12 Gd1 98.2(4) . 10_557 ?
 P2 O12 Gd1 127.9(3) . 10_557 ?
 P2 O12 Gd1 127.9(3) . . ?
 P3 O12 Gd1 130.0(2) . . ?
 C1 N1 Mo1 122.1(7) . . ?
 C1 N1 C5 118.2(10) . . ?
 C5 N1 Mo1 119.7(9) . . ?
 C6 N2 Mo2 122.3(16) . . ?
 C10 N2 Mo2 122.5(16) . . ?
 C10 N2 C6 115(2) . . ?
 N1 C1 H1A 118.0 . . ?
 N1 C1 C2 124.1(12) . . ?
 C2 C1 H1A 118.0 . . ?
 C1 C2 H2A 121.7 . . ?
 C3 C2 C1 116.6(15) . . ?
 C3 C2 H2A 121.7 . . ?
 C2 C3 H3A 119.4 . . ?
 C2 C3 C4 121.2(13) . . ?
 C4 C3 H3A 119.4 . . ?
 C3 C4 H4 120.8 . . ?
 C3 C4 C5 118.3(11) . . ?
 C5 C4 H4 120.8 . . ?
 N1 C5 C4 121.4(13) . . ?
 N1 C5 H5 119.3 . . ?
 C4 C5 H5 119.3 . . ?
 N2 C6 H3A 88(9) . 7_566 ?
 N2 C6 H6 118.0 . . ?
 N2 C6 C7 124(3) . . ?
 H6 C6 H3A 73.3 . 7_566 ?
 C7 C6 H3A 108(6) . 7_566 ?
 C7 C6 H6 118.0 . . ?
 C6 C7 H7 120.3 . . ?
 C8 C7 C6 119(3) . . ?
 C8 C7 H7 120.3 . . ?
 C7 C8 H8 121.1 . . ?
 C9 C8 C7 117.9(18) . . ?
 C9 C8 H8 121.1 . . ?
 C8 C9 H9 120.8 . . ?
 C8 C9 C10 118(3) . . ?
 C10 C9 H9 120.8 . . ?
 N2 C10 C9 125(3) . . ?
 N2 C10 H10 117.5 . . ?
 C9 C10 H10 117.5 . . ?
 H13A O13 H13B 104.5 . . ?
 H13A O13 H18A 143.3 . . ?
 H13A O13 H18B 100.3 . . ?
 H13A O13 H18C 109.2 . . ?
 H13B O13 H18A 55.4 . . ?
 H13B O13 H18B 114.1 . . ?
 H13B O13 H18C 40.4 . . ?
 H18A O13 H18B 68.6 . . ?
 H18A O13 H18C 34.7 . . ?
 H18B O13 H18C 73.9 . . ?
 H14A O14 H14B 104.5 . . ?
 H15A O15 H15B 104.5 . . ?
 H16A O16 H16B 104.5 . . ?
 H17A O17 H17B 88.1 . . ?
 H13B O18 H18A 36.4 . . ?
 H13B O18 H18B 115.2 . . ?
 H13B O18 H18C 44.4 . . ?
 H18A O18 H18B 104.5 . . ?
 H18A O18 H18C 59.3 . . ?
 H18B O18 H18C 159.6 . . ?
 C11 N3 H3B 122.3 . . ?
 C11 N3 C15 115(3) . . ?
 C15 N3 H3B 122.3 . . ?
 N3 C11 H11 117.9 . . ?
 N3 C11 C12 124(3) . . ?
 C12 C11 H11 117.9 . . ?
 C11 C12 H12 120.6 . . ?
 C13 C12 C11 119(2) . . ?
 C13 C12 H12 120.6 . . ?
 C12 C13 H13 120.9 . . ?
 C12 C13 C14 118(3) . . ?
 C14 C13 H13 120.9 . . ?
 C13 C14 H14 120.5 . . ?
 C15 C14 C13 119(2) . . ?
 C15 C14 H14 120.5 . . ?
 N3 C15 C14 124(3) . . ?
 N3 C15 H15 117.9 . . ?
 C14 C15 H15 117.9 . . ?
 C16 N4 H4A 121.2 . . ?
 C16 N4 C20 118(3) . . ?
 C20 N4 H4A 121.2 . . ?
 N4 C16 H16 118.3 . . ?
 N4 C16 C17 123(3) . . ?
 C17 C16 H16 118.3 . . ?
 C16 C17 H17 120.9 . . ?
 C18 C17 C16 118(3) . . ?
 C18 C17 H17 120.9 . . ?
 C17 C18 H18 120.4 . . ?
 C19 C18 C17 119(2) . . ?
 C19 C18 H18 120.4 . . ?
 C18 C19 H19 120.8 . . ?
 C18 C19 C20 118(3) . . ?
 C20 C19 H19 120.8 . . ?
 N4 C20 C19 123(3) . . ?
 N4 C20 H20 118.6 . . ?
 C19 C20 H20 118.6 . . ?
 C21 N5 H5A 123.4 . . ?
 C25 N5 H5A 123.4 . . ?
 C25 N5 C21 113(4) . . ?
 N5 C21 H21 117.4 . . ?
 N5 C21 C22 125(4) . . ?
 C22 C21 H21 117.4 . . ?
 C21 C22 H22 120.3 . . ?
 C23 C22 C21 119(3) . . ?
 C23 C22 H22 120.3 . . ?
 C22 C23 H23 121.4 . . ?
 C24 C23 C22 117(3) . . ?
 C24 C23 H23 121.4 . . ?
 C23 C24 H24 121.1 . . ?
 C23 C24 C25 118(3) . . ?
 C25 C24 H24 121.1 . . ?
 N5 C25 C24 127(4) . . ?
 N5 C25 H25 116.5 . . ?
 C24 C25 H25 116.5 . . ?

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 O5 Mo1 -18.4(7) 10_557 . . . ?
 Gd1 P1 O5 Mo2 29.8(10) 10_557 . . 2_665 ?
 Gd1 P1 O6 Mo3 139.7(7) 10_557 . . . ?
 Gd1 P1 O7 Mo3 -134.6(10) 10_557 . . 2_665 ?
 Mo1 N1 C1 C2 172.9(13) . . . . ?
 Mo1 N1 C5 C4 -175.4(10) . . . . ?
 Mo2 Mo2 O2 Mo2 -41(6) 2_665 . . 3_565 ?
 Mo2 N2 C6 C7 -180(3) . . . . ?
 Mo2 N2 C10 C9 -180(2) . . . . ?
 O2 Mo2 O2 Mo2 -95(4) 2_665 . . 3_565 ?
 O3 Mo2 O2 Mo2 15(7) . . . 3_565 ?
 O4 Mo2 O2 Mo2 149(6) . . . 3_565 ?
 O5 Mo2 O2 Mo2 93(5) 3_565 . . 3_565 ?
 O5 P1 O6 Gd1 -103.0(4) . . . 10_557 ?
 O5 P1 O6 Mo3 36.8(8) . . . . ?
 O5 P1 O7 Gd1 103.3(5) . . . 10_557 ?
 O5 P1 O7 Mo3 -31.3(12) . . . 2_665 ?
 O6 Mo3 O4 Mo1 -1.3(8) . . . . ?
 O6 Mo3 O4 Mo2 -63.4(19) . . . . ?
 O6 P1 O5 Mo1 34.3(7) . . . . ?
 O6 P1 O5 Mo2 82.5(11) . . . 2_665 ?
 O6 P1 O7 Gd1 -17.1(4) . . . 10_557 ?
 O6 P1 O7 Mo3 -151.7(9) . . . 2_665 ?
 O7 Mo3 O4 Mo1 70.7(9) 3_565 . . . ?
 O7 Mo3 O4 Mo2 8.6(19) 3_565 . . . ?
 O7 P1 O5 Mo1 -78.8(8) . . . . ?
 O7 P1 O5 Mo2 -30.6(11) . . . 2_665 ?
 O7 P1 O6 Gd1 18.7(5) . . . 10_557 ?
 O7 P1 O6 Mo3 158.5(6) . . . . ?
 O8 Mo3 O4 Mo1 162.7(8) . . . . ?
 O8 Mo3 O4 Mo2 100.6(19) . . . . ?
 O9 Mo3 O4 Mo1 -89.1(9) . . . . ?
 O9 Mo3 O4 Mo2 -151.2(19) . . . . ?
 O10 P1 O5 Mo2 -150(2) . . . 2_665 ?
 O10 P1 O6 Gd1 133.7(19) . . . 10_557 ?
 O10 P1 O6 Mo3 -86.6(19) . . . . ?
 O10 P1 O7 Gd1 -137.6(17) . . . 10_557 ?
 O10 P1 O7 Mo3 87.8(19) . . . 2_665 ?
 O11 Mo3 O4 Mo1 34.0(15) . . . . ?
 O11 Mo3 O4 Mo2 -28(2) . . . . ?
 O11 P2 O11 Mo3 179.9(3) 10_557 . . . ?
 O11 P2 O12 Gd1 -43.8(13) . . . 10_557 ?
 O11 P2 O12 Gd1 43.8(13) 10_557 . . . ?
 O11 P2 O12 Gd1 169.6(6) . . . . ?
 O11 P2 O12 Gd1 -169.6(6) 10_557 . . 10_557 ?
 O11 P3 O11 Mo3 -174.8(3) 10_557 . . . ?
 O11 P3 O12 Gd1 162.5(7) 10_557 . . 10_557 ?
 O11 P3 O12 Gd1 -35.5(15) 10_557 . . . ?
 O11 P3 O12 Gd1 35.5(15) . . . 10_557 ?
 O11 P3 O12 Gd1 -162.5(7) . . . . ?
 O12 P2 O11 Mo3 48.6(14) . . . . ?
 O12 P3 O11 Mo3 -42.3(17) . . . . ?
 N1 C1 C2 C3 5(3) . . . . ?
 N2 Mo2 O2 Mo2 -171(6) . . . 3_565 ?
 N2 C6 C7 C8 -1(7) . . . . ?
 C1 N1 C5 C4 1(2) . . . . ?
 C1 C2 C3 C4 -5(3) . . . . ?
 C2 C3 C4 C5 2(2) . . . . ?
 C3 C4 C5 N1 -1(2) . . . . ?
 C5 N1 C1 C2 -3(2) . . . . ?
 C6 N2 C10 C9 0(3) . . . . ?
 C6 C7 C8 C9 0(6) . . . . ?
 C7 C8 C9 C10 0(6) . . . . ?
 C8 C9 C10 N2 0(5) . . . . ?
 C10 N2 C6 C7 1(5) . . . . ?
 N3 C11 C12 C13 -1(3) . . . . ?
 C11 N3 C15 C14 2(5) . . . . ?
 C11 C12 C13 C14 4(5) . . . . ?
 C12 C13 C14 C15 -3(5) . . . . ?
 C13 C14 C15 N3 1(6) . . . . ?
 C15 N3 C11 C12 -1(3) . . . . ?
 N4 C16 C17 C18 0.1(7) . . . . ?
 C16 N4 C20 C19 0.4(16) . . . . ?
 C16 C17 C18 C19 -0.3(15) . . . . ?
 C17 C18 C19 C20 1(2) . . . . ?
 C18 C19 C20 N4 -1(2) . . . . ?
 C20 N4 C16 C17 -0.2(7) . . . . ?
 N5 C21 C22 C23 -2(3) . . . . ?
 C21 N5 C25 C24 0(8) . . . . ?
 C21 C22 C23 C24 6(7) . . . . ?
 C22 C23 C24 C25 -6(9) . . . . ?
 C23 C24 C25 N5 4(11) . . . . ?
 C25 N5 C21 C22 -1(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  1.775
_oxdiff_exptl_absorpt_empirical_full_min  0.530
