data_11-Tb
_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          11-Tb
_chemical_formula_moiety          
 'C30 H37 Mo12 N6 O55 P9 Tb2, 3(H3 O), 10(H2 O), 3(C5 H6 N)'
_chemical_formula_sum              'C45 H84 Mo12 N9 O68 P9 Tb2'
_chemical_formula_weight           3587.06
_chemical_melting_point            ?
_chemical_oxdiff_formula           Tb2H13P9Mo12O55
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'
 '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'
 'Tb' 'Tb' -0.1723 4.1537
 '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                     20.2052(5)
_cell_length_b                     20.2052(5)
_cell_length_c                     31.2415(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       12754.3(7)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      10266
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        25.5520
_cell_measurement_theta_min        2.1940
_shelx_estimated_absorpt_T_max     0.953
_shelx_estimated_absorpt_T_min     0.888
_exptl_absorpt_coefficient_mu      2.429
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.27027
_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      1.868
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               6920
_exptl_crystal_recrystallization_method  ?
_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    0.0853
_diffrn_reflns_av_unetI/netI       0.0893
_diffrn_reflns_Laue_measured_fraction_full  0.990
_diffrn_reflns_Laue_measured_fraction_max  0.990
_diffrn_reflns_limit_h_max         24
_diffrn_reflns_limit_h_min         -20
_diffrn_reflns_limit_k_max         23
_diffrn_reflns_limit_k_min         -24
_diffrn_reflns_limit_l_max         29
_diffrn_reflns_limit_l_min         -37
_diffrn_reflns_number              47468
_diffrn_reflns_point_group_measured_fraction_full  0.990
_diffrn_reflns_point_group_measured_fraction_max  0.990
_diffrn_reflns_theta_full          25.025
_diffrn_reflns_theta_max           25.025
_diffrn_reflns_theta_min           1.648
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.01(10)
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.990
_diffrn_measured_fraction_theta_max  0.990
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -62.00 -37.00   0.50    8.00    --   -9.24 126.00  -2.00   50
  2  ω    -67.00 -41.00   0.50    8.00    --   -9.24 134.00 -97.00   52
  3  ω    -18.00  12.00   0.50    8.00    --   10.03 -99.00  60.00   60
  4  ω      1.00  76.00   0.50    8.00    --   10.03  57.00-150.00  150
  5  ω    -11.00  28.00   0.50    8.00    --   10.03 -99.00  30.00   78
;
_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        0.0262910000
_diffrn_orient_matrix_UB_12        0.0016327000
_diffrn_orient_matrix_UB_13        -0.0150315000
_diffrn_orient_matrix_UB_21        -0.0231965000
_diffrn_orient_matrix_UB_22        -0.0017970000
_diffrn_orient_matrix_UB_23        -0.0170107000
_diffrn_orient_matrix_UB_31        -0.0024430000
_diffrn_orient_matrix_UB_32        0.0349836000
_diffrn_orient_matrix_UB_33        -0.0001669000
_diffrn_oxdiff_ac3_digest_hkl      41d69881458ca04d73d65db90cf3f3430fcca8
_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                  6806
_reflns_number_total               11382
_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           1.923
_refine_diff_density_min           -0.802
_refine_diff_density_rms           0.165
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.056
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1269
_refine_ls_number_reflns           11382
_refine_ls_number_restraints       1648
_refine_ls_R_factor_all            0.1532
_refine_ls_R_factor_gt             0.0931
_refine_ls_restrained_S_all        0.994
_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)+(0.0899P)²+202.4614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2168
_refine_ls_wR_factor_ref           0.2446
_refine_special_details
;
 Refined as a 2-component twin.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.9305(13)
 0.0695(13)
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
 N9-C45 = N9-C41
 1.33 with sigma of 0.02
 N3-C1 = N3-C5
 1.33 with sigma of 0.02
 N6-C26 = N6-C30
 1.33 with sigma of 0.02
 N11-C51 = N11-C55
 1.33 with sigma of 0.02
 N7-C35 = N7-C31
 1.33 with sigma of 0.02
 N8-C40 = N8-C36
 1.33 with sigma of 0.02
 N4-C16 = N4-C1A
 1.33 with sigma of 0.02
 N10-C46 = N10-C50
 1.33 with sigma of 0.02
 N2-C10 = N2-C6
 1.33 with sigma of 0.02
 N12-C56 = N12-C60
 1.33 with sigma of 0.02
 O5-N1
 1.502 with sigma of 0.02
 N1-C15 = N1-C11
 1.33 with sigma of 0.02
 C56-C57 = C59-C60
 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
 C57-C58 = C58-C59
 1.37 with sigma of 0.02
 C10-C9 = C7-C6
 1.38 with sigma of 0.02
 C1-C2 = C4-C5
 1.38 with sigma of 0.02
 C51-C52 = C54-C55
 1.38 with sigma of 0.02
 C35-C34 = C32-C31
 1.38 with sigma of 0.02
 C16-C17 = C19-C1A
 1.38 with sigma of 0.02
 C26-C27 = C29-C30
 1.38 with sigma of 0.02
 C40-C39 = C37-C36
 1.38 with sigma of 0.02
 C46-C47 = C49-C50
 1.38 with sigma of 0.02
 C15-C14 = C12-C11
 1.38 with sigma of 0.02
 C2-C3 = C3-C4
 1.37 with sigma of 0.02
 C9-C8 = C8-C7
 1.37 with sigma of 0.02
 C47-C48 = C48-C49
 1.37 with sigma of 0.02
 C14-C13 = C13-C12
 1.37 with sigma of 0.02
 C52-C53 = C53-C54
 1.37 with sigma of 0.02
 C39-C38 = C38-C37
 1.37 with sigma of 0.02
 C34-C33 = C33-C32
 1.37 with sigma of 0.02
 C27-C28 = C28-C29
 1.37 with sigma of 0.02
 C17-C18 = C18-C19
 1.37 with sigma of 0.02
 O5-Mo6
 1.983 with sigma of 0.02
 O5-Mo4
 1.999 with sigma of 0.02
 N5-C25 = N5-C21
 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
 N3-C2
 2.4 with sigma of 0.04
 N6-C27
 2.4 with sigma of 0.04
 N9-C44
 2.4 with sigma of 0.04
 N7-C34
 2.4 with sigma of 0.04
 N8-C39
 2.4 with sigma of 0.04
 N4-C17
 2.4 with sigma of 0.04
 N10-C47
 2.4 with sigma of 0.04
 N2-C9
 2.4 with sigma of 0.04
 N12-C57
 2.4 with sigma of 0.04
 N11-C52
 2.4 with sigma of 0.04
 N9-C42
 2.39 with sigma of 0.04
 N2-C7
 2.39 with sigma of 0.04
 N4-C19
 2.39 with sigma of 0.04
 N11-C54
 2.39 with sigma of 0.04
 N7-C32
 2.39 with sigma of 0.04
 N8-C37
 2.39 with sigma of 0.04
 N3-C4
 2.39 with sigma of 0.04
 N10-C49
 2.39 with sigma of 0.04
 N1-C14
 2.4 with sigma of 0.04
 N12-C59
 2.39 with sigma of 0.04
 N6-C29
 2.39 with sigma of 0.04
 N1-C12
 2.39 with sigma of 0.04
 C45-C43
 2.36 with sigma of 0.04
 C56-C58
 2.36 with sigma of 0.04
 C57-C59
 2.35 with sigma of 0.04
 C44-C42
 2.35 with sigma of 0.04
 C58-C60
 2.37 with sigma of 0.04
 C43-C41
 2.37 with sigma of 0.04
 C1-C3
 2.36 with sigma of 0.04
 C10-C8
 2.36 with sigma of 0.04
 C15-C13
 2.36 with sigma of 0.04
 C51-C53
 2.36 with sigma of 0.04
 C35-C33
 2.36 with sigma of 0.04
 C26-C28
 2.36 with sigma of 0.04
 C46-C48
 2.36 with sigma of 0.04
 C40-C38
 2.36 with sigma of 0.04
 C16-C18
 2.36 with sigma of 0.04
 C9-C7
 2.35 with sigma of 0.04
 C2-C4
 2.35 with sigma of 0.04
 C27-C29
 2.35 with sigma of 0.04
 C39-C37
 2.35 with sigma of 0.04
 C34-C32
 2.35 with sigma of 0.04
 C3-C5
 2.37 with sigma of 0.04
 C8-C6
 2.37 with sigma of 0.04
 C52-C54
 2.35 with sigma of 0.04
 C14-C12
 2.35 with sigma of 0.04
 C47-C49
 2.35 with sigma of 0.04
 C17-C19
 2.35 with sigma of 0.04
 C18-C1A
 2.37 with sigma of 0.04
 C38-C36
 2.37 with sigma of 0.04
 C48-C50
 2.37 with sigma of 0.04
 C28-C30
 2.37 with sigma of 0.04
 C13-C11
 2.37 with sigma of 0.04
 C53-C55
 2.37 with sigma of 0.04
 C33-C31
 2.37 with sigma of 0.04
 N5-C24
 2.4 with sigma of 0.04
 N5-C22
 2.39 with sigma of 0.04
 C25-C23
 2.36 with sigma of 0.04
 C24-C22
 2.35 with sigma of 0.04
 C23-C21
 2.37 with sigma of 0.04
 N10-C49 \\sim N10-C47
 with sigma of 0.04
 N8-C37 \\sim N8-C39
 with sigma of 0.04
 N4-C19 \\sim N4-C17
 with sigma of 0.04
 N7-C32 \\sim N7-C34
 with sigma of 0.04
 N3-C4 \\sim N3-C2
 with sigma of 0.04
 N2-C7 \\sim N2-C9
 with sigma of 0.04
 N6-C29 \\sim N6-C27
 with sigma of 0.04
 N11-C54 \\sim N11-C52
 with sigma of 0.04
 N1-C12 \\sim N1-C14
 with sigma of 0.04
 N12-C59 \\sim N12-C57
 with sigma of 0.04
 N9-C42 \\sim N9-C44
 with sigma of 0.04
 C58-C60 \\sim C58-C56 \\sim C59-C57 \\sim C60-C56
 with sigma of 0.04
 C43-C41 \\sim C43-C45 \\sim C42-C44 \\sim C41-C45
 with sigma of 0.04
 C8-C6 \\sim C8-C10 \\sim C7-C9 \\sim C6-C10
 with sigma of 0.04
 C3-C5 \\sim C3-C1 \\sim C4-C2 \\sim C5-C1
 with sigma of 0.04
 C33-C31 \\sim C33-C35 \\sim C32-C34 \\sim C31-C35
 with sigma of 0.04
 C13-C11 \\sim C13-C15 \\sim C12-C14 \\sim C11-C15
 with sigma of 0.04
 C28-C30 \\sim C28-C26 \\sim C29-C27 \\sim C30-C26
 with sigma of 0.04
 C53-C55 \\sim C53-C51 \\sim C54-C52 \\sim C55-C51
 with sigma of 0.04
 C48-C50 \\sim C48-C46 \\sim C49-C47 \\sim C50-C46
 with sigma of 0.04
 C18-C1A \\sim C18-C16 \\sim C19-C17 \\sim C1A-C16
 with sigma of 0.04
 C38-C36 \\sim C38-C40 \\sim C37-C39 \\sim C36-C40
 with sigma of 0.04
 Mo4-O4 \\sim O4-Mo5
 with sigma of 0.02
 N5-C25 \\sim N5-C21
 with sigma of 0.02
 N5-C22 \\sim N5-C24
 with sigma of 0.04
 C25-C24 \\sim C24-C23 \\sim C23-C22 \\sim C22-C21
 with sigma of 0.02
 C23-C21 \\sim C23-C25 \\sim C22-C24 \\sim C21-C25
 with sigma of 0.04
4. Restrained planarity
 N3, C1, C2, C3, C4, C5
 with sigma of 0.1
 N6, C26, C27, C28, C29, C30
 with sigma of 0.1
 N2, C6, C7, C8, C9, C10
 with sigma of 0.1
 N7, C31, C32, C33, C34, C35
 with sigma of 0.1
 N11, C51, C52, C53, C54, C55
 with sigma of 0.1
 N4, C1A, C16, C17, C18, C19
 with sigma of 0.1
 N8, C36, C37, C38, C39, C40
 with sigma of 0.1
 N10, C46, C47, C48, C49, C50
 with sigma of 0.1
 N1, C11, C12, C13, C14, C15
 with sigma of 0.1
 N9, C41, C42, C43, C44, C45
 with sigma of 0.1
 N12, C56, C57, C58, C59, C60
 with sigma of 0.1
 N5, C21, C22, C23, C24, C25
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
N3 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5: 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
N4 \\sim C1A \\sim C16 \\sim C17 \\sim C18 \\sim C19: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N11 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
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
N8 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40: 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
N1 \\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
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
N9 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O2 \\sim O5: 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
Uanis(N4) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C1A)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
Uanis(N7) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C31)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C32) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
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 0.1 and
sigma for terminal atoms of 0.2
Uanis(N11) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.03 and
sigma for terminal atoms of 0.06
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 0.06 and
sigma for terminal atoms of 0.12
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 0.05 and
sigma for terminal atoms of 0.1
Uanis(N9) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C45)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of 0.06 and
sigma for terminal atoms of 0.12
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 0.06 and
sigma for terminal atoms of 0.12
Uanis(O27) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O26) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O28) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O49) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O5) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O52) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O41) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O43) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O36) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O50) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O35) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O42) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O51) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O40) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O53) \\sim Ueq: with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(O47) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O45) \\sim Ueq: with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(O38) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O39) \\sim Ueq: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O44) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O37) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(O48) \\sim Ueq: with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(Mo5) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(Mo6) \\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 0.01 and
sigma for terminal atoms of 0.02
Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O16) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O14) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O22) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
6. Rigid body (RIGU) restrains
 N3, C1, C2, C3, C4, C5
 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
 N11, C51, C52, C53, C54, C55
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N4, C1A, C16, C17, C18, C19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N8, C36, C37, C38, C39, C40
 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
 N10, C46, C47, C48, C49, C50
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N1, C11, C12, C13, C14, C15
 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
 N9, C41, C42, C43, C44, C45
 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
7. Others
 1*[Sof(O27)]+1*[Sof(O28)]+1*[Sof(O26)]=1 with esd of 0.001
 1*[Sof(H3)]+1*[Sof(O28)]=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(Mo2)+Sof(Mo3)+Sof(O1)+Sof(O2)+Sof(O3)+Sof(N1)+Sof(N2)+Sof(N3)+
 Sof(C1)+Sof(H1A)+Sof(C2)+Sof(H2A)+Sof(C3)+Sof(H3A)+Sof(C4)+Sof(H4A)+Sof(C5)+
 Sof(H5A)+Sof(C6)+Sof(H6A)+Sof(C7)+Sof(H7A)+Sof(C8)+Sof(H8A)+Sof(C9)+Sof(H9)+
 Sof(C10)+Sof(H10)+Sof(C11)+Sof(H11)+Sof(C12)+Sof(H12)+Sof(C13)+Sof(H13)+
 Sof(C14)+Sof(H14)+Sof(C15)+Sof(H15)]+1*[Sof(Mo4)+Sof(Mo5)+Sof(Mo6)+Sof(O4)+
 Sof(O5)+Sof(O6)+Sof(N4)+Sof(N5)+Sof(N6)+Sof(C1A)+Sof(H1AA)+Sof(C16)+Sof(H16)+
 Sof(C17)+Sof(H17)+Sof(C18)+Sof(H18)+Sof(C19)+Sof(H19)+Sof(C21)+Sof(H21)+
 Sof(C22)+Sof(H22)+Sof(C23)+Sof(H23)+Sof(C24)+Sof(H24)+Sof(C25)+Sof(H25)+
 Sof(C26)+Sof(H26)+Sof(C27)+Sof(H27)+Sof(C28)+Sof(H28)+Sof(C29)+Sof(H29)+
 Sof(C30)+Sof(H30)]=1 with esd of 0.00001
 Sof(P5)=Sof(H5)=0.5*(1-FVAR(2))
 Sof(P6)=Sof(H6)=0.5*FVAR(2)
 Sof(P8)=Sof(H8)=0.5*(1-FVAR(3))
 Sof(P7)=Sof(H7)=0.5*FVAR(3)
 Sof(Mo1)=Sof(Mo2)=Sof(Mo3)=Sof(O1)=Sof(O2)=Sof(O3)=Sof(N1)=Sof(N2)=Sof(N3)=
 Sof(C1)=Sof(H1A)=Sof(C2)=Sof(H2A)=Sof(C3)=Sof(H3A)=Sof(C4)=Sof(H4A)=Sof(C5)=
 Sof(H5A)=Sof(C6)=Sof(H6A)=Sof(C7)=Sof(H7A)=Sof(C8)=Sof(H8A)=Sof(C9)=Sof(H9)=
 Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=Sof(C13)=Sof(H13)=
 Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=FVAR(9)
 Sof(Mo4)=Sof(Mo5)=Sof(Mo6)=Sof(O4)=Sof(O5)=Sof(O6)=Sof(N4)=Sof(N5)=Sof(N6)=
 Sof(C1A)=Sof(H1AA)=Sof(C16)=Sof(H16)=Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18)=
 Sof(C19)=Sof(H19)=Sof(C21)=Sof(H21)=Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=
 Sof(C24)=Sof(H24)=Sof(C25)=Sof(H25)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=
 Sof(C28)=Sof(H28)=Sof(C29)=Sof(H29)=Sof(C30)=Sof(H30)=FVAR(10)
 Fixed Sof: O35(0.75) H35A(0.75) H35B(0.75) H35C(0.75) O36(0.5) H36A(0.5)
 H36B(0.5) O37(0.375) H37A(0.375) H37B(0.375) O38(0.25) H38A(0.25) H38B(0.25)
 O39(0.25) H39A(0.25) H39B(0.25) O40(0.1875) H40A(0.1875) H40B(0.1875)
 O41(0.375) H41A(0.375) H41B(0.375) O48(0.25) H41C(0.25) H48A(0.25) O42(0.25)
 H42A(0.25) H42B(0.25) H42C(0.25) O43(0.25) H43A(0.25) H43B(0.25) O44(0.25)
 H44A(0.25) H44B(0.25) O45(0.125) H45A(0.125) H45B(0.125) O46(0.875)
 H46A(0.875) H46B(0.875) O47(0.1875) H47A(0.1875) H47B(0.1875) O49(0.25)
 H49A(0.25) H49B(0.25) O50(0.5) H50A(0.5) H50B(0.5) H50C(0.5) O51(0.25)
 H51A(0.25) H51B(0.25) O52(0.125) H52A(0.125) H52B(0.125) O53(0.5) H53A(0.5)
 H53B(0.5) N7(0.62752) H7B(0.62752) C31(0.62752) H31(0.62752) C32(0.62752)
 H32(0.62752) C33(0.62752) H33(0.62752) C34(0.62752) H34(0.62752) C35(0.62752)
 H35(0.62752) N8(0.208333) H8B(0.208333) C36(0.208333) H36(0.208333)
 C37(0.208333) H37(0.208333) C38(0.208333) H38(0.208333) C39(0.208333)
 H39(0.208333) C40(0.208333) H40(0.208333) N9(0.125) H9A(0.125) C41(0.125)
 H41(0.125) C42(0.125) H42(0.125) C43(0.125) H43(0.125) C44(0.125) H44(0.125)
 C45(0.125) H45(0.125) N10(0.25) H10A(0.25) C46(0.25) H46(0.25) C47(0.25)
 H47(0.25) C48(0.25) H48(0.25) C49(0.25) H49(0.25) C50(0.25) H50(0.25)
 N11(0.20581) H11A(0.20581) C51(0.20581) H51(0.20581) C52(0.20581) H52(0.20581)
 C53(0.20581) H53(0.20581) C54(0.20581) H54(0.20581) C55(0.20581) H55(0.20581)
 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)
8.a Riding coordinates:
 P1(H1), P2(H2), P3(H3), P4(H4), P5(H5), P6(H6), P7(H7), P8(H8), O35(H35A,H35B,
 H35C), O36(H36A,H36B), O37(H37A,H37B), O38(H38A,H38B), O39(H39A,H39B),
 O40(H40A,H40B), O41(H41A,H41B), O48(H41C,H48A), O42(H42A,H42B,H42C), O43(H43A,
 H43B), O44(H44A,H44B), O45(H45A,H45B), O46(H46A,H46B), O47(H47A,H47B),
 O49(H49A,H49B), O50(H50A,H50B,H50C), O51(H51A,H51B), O52(H52A,H52B), O53(H53A,
 H53B)
8.b Aromatic/amide H refined with riding coordinates:
 C1(H1A), C1A(H1AA), C2(H2A), C3(H3A), C4(H4A), C5(H5A), C6(H6A), C7(H7A),
 C8(H8A), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), N7(H7B), C31(H31),
  C32(H32), C33(H33), C34(H34), C35(H35), N8(H8B), C36(H36), C37(H37), C38(H38),
  C39(H39), C40(H40), N9(H9A), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45),
  N10(H10A), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), N11(H11A),
 C51(H51), C52(H52), C53(H53), C54(H54), C55(H55), N12(H12A), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60)
;
_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
 Tb1 Tb 0.77212(5) 0.72807(5) 0.55906(2) 0.0620(3) Uani 1 1 d . . . . .
 Mo1 Mo 0.80622(10) 0.66434(12) 0.68841(5) 0.0535(5) Uani 0.814(2) 1 d . . P C
 .
 Mo2 Mo 0.80176(11) 0.78952(10) 0.68792(5) 0.0600(6) Uani 0.814(2) 1 d . . P C
 .
 Mo3 Mo 0.69706(10) 0.72244(12) 0.68683(5) 0.0630(6) Uani 0.814(2) 1 d . . P C
 .
 Mo4 Mo 0.7293(7) 0.6595(6) 0.6892(3) 0.096(4) Uani 0.186(2) 1 d D . P C .
 Mo5 Mo 0.8363(7) 0.7170(6) 0.6905(3) 0.089(4) Uani 0.186(2) 1 d D U P C .
 Mo6 Mo 0.7296(7) 0.7817(5) 0.6899(3) 0.079(4) Uani 0.186(2) 1 d D U P C .
 Mo7 Mo 0.77556(11) 0.53912(8) 0.60408(5) 0.0707(5) Uani 1 1 d . . . . .
 Mo8 Mo 0.92842(9) 0.81947(9) 0.60511(5) 0.0676(5) Uani 1 1 d . . . . .
 Mo9 Mo 0.60453(10) 0.81346(12) 0.60426(5) 0.0845(7) Uani 1 1 d . . . . .
 P1 P 0.8999(2) 0.6547(3) 0.60510(13) 0.0577(12) Uani 1 1 d . . . . .
 H1 H 0.964103 0.636979 0.594019 0.069 Uiso 0.556(17) 1 d R U P . .
 P2 P 0.7653(3) 0.8695(3) 0.60277(16) 0.0780(16) Uani 1 1 d . . . . .
 H2 H 0.760277 0.934918 0.589361 0.094 Uiso 0.612(17) 1 d R U P . .
 P3 P 0.6500(3) 0.6505(3) 0.60095(16) 0.0818(17) Uani 1 1 d . . . . .
 H3 H 0.601167 0.609528 0.584195 0.098 Uiso 0.832(17) 1 d R U P . .
 P4 P 0.7532(4) 0.5738(3) 0.500000 0.0566(17) Uani 1 2 d S T P . .
 H4 H 0.684347 0.574005 0.500000 0.068 Uiso 1 2 d R U P . .
 P5 P 0.9124(12) 0.782(2) 0.500000 0.056(8) Uani 0.58(6) 2 d S T P A 2
 H5 H 0.947081 0.722551 0.500000 0.067 Uiso 0.58(6) 2 d R U P A 2
 P6 P 0.8925(15) 0.820(2) 0.500000 0.052(8) Uani 0.42(6) 2 d S T P A 1
 H6 H 0.860997 0.881017 0.500000 0.063 Uiso 0.42(6) 2 d R U P A 1
 P7 P 0.647(2) 0.818(3) 0.500000 0.069(14) Uani 0.51(8) 2 d S T P B 1
 H7 H 0.682301 0.877787 0.500000 0.083 Uiso 0.51(8) 2 d R U P B 1
 P8 P 0.6253(14) 0.780(3) 0.500000 0.056(8) Uani 0.49(8) 2 d S T P B 2
 H8 H 0.593044 0.719101 0.500000 0.068 Uiso 0.49(8) 2 d R U P B 2
 O1 O 0.8477(8) 0.7289(7) 0.7254(4) 0.063(4) Uani 0.814(2) 1 d . . P C .
 O2 O 0.7253(9) 0.7914(8) 0.7237(4) 0.079(5) Uani 0.814(2) 1 d . U P . .
 O3 O 0.7294(7) 0.6537(8) 0.7240(4) 0.062(4) Uani 0.814(2) 1 d . U P C .
 O4 O 0.8044(18) 0.646(3) 0.726(2) 0.062(17) Uani 0.186(2) 1 d D U P C .
 O5 O 0.6845(13) 0.7206(13) 0.7302(10) 0.099(18) Uani 0.186(2) 1 d D U P C .
 O6 O 0.820(5) 0.781(5) 0.729(3) 0.10(3) Uani 0.186(2) 1 d . U P . .
 O7 O 0.7691(6) 0.7262(6) 0.6412(3) 0.059(3) Uani 1 1 d . . . . .
 O8 O 0.7812(7) 0.5821(6) 0.6542(3) 0.073(4) Uani 1 1 d . . . . .
 O9 O 0.8951(6) 0.6546(6) 0.6536(3) 0.062(3) Uani 1 1 d . . . . .
 O10 O 0.8893(6) 0.8031(6) 0.6555(3) 0.068(3) Uani 1 1 d . . . . .
 O11 O 0.7697(7) 0.8680(6) 0.6517(4) 0.078(4) Uani 1 1 d . . . . .
 O12 O 0.6402(7) 0.7899(7) 0.6540(4) 0.085(4) Uani 1 1 d . . . . .
 O13 O 0.6449(6) 0.6520(7) 0.6494(3) 0.074(4) Uani 1 1 d . . . . .
 O14 O 0.8509(8) 0.6116(8) 0.5846(5) 0.100(5) Uani 1 1 d . U . . .
 O15 O 0.7176(7) 0.6286(6) 0.5835(3) 0.073(4) Uani 1 1 d . . . . .
 O16 O 0.6461(9) 0.7193(9) 0.5824(5) 0.107(5) Uani 1 1 d . U . . .
 O17 O 0.7091(7) 0.8290(10) 0.5843(4) 0.104(6) Uani 1 1 d . . . . .
 O18 O 0.8255(7) 0.8359(7) 0.5829(3) 0.081(4) Uani 1 1 d . . . . .
 O19 O 0.8854(6) 0.7219(6) 0.5851(3) 0.064(3) Uani 1 1 d . . . . .
 O20 O 0.8348(9) 0.4775(8) 0.6094(4) 0.099(5) Uani 1 1 d . . . . .
 O21 O 0.7034(8) 0.4978(8) 0.6079(4) 0.094(5) Uani 1 1 d . . . . .
 O22 O 0.5269(8) 0.7826(10) 0.6070(5) 0.109(5) Uani 1 1 d . U . . .
 O23 O 0.5955(10) 0.8915(9) 0.6102(5) 0.117(6) Uani 1 1 d . U . . .
 O24 O 0.9425(10) 0.9005(8) 0.6084(4) 0.109(6) Uani 1 1 d . . . . .
 O25 O 1.0023(8) 0.7834(9) 0.6110(4) 0.099(5) Uani 1 1 d . . . . .
 O26 O 0.9630(17) 0.6243(18) 0.5929(11) 0.095(11) Uani 0.444(17) 1 d . U P . .
 O27 O 0.7668(18) 0.9410(16) 0.5891(9) 0.072(10) Uani 0.388(17) 1 d . U P . .
 O28 O 0.596(4) 0.610(4) 0.584(2) 0.06(2) Uani 0.168(17) 1 d . U P . .
 O29 O 0.7756(7) 0.5334(5) 0.5380(3) 0.069(4) Uani 1 1 d . . . . .
 O30 O 0.9369(6) 0.8197(6) 0.5391(3) 0.065(3) Uani 1 1 d . . . . .
 O31 O 0.6022(7) 0.8221(8) 0.5383(4) 0.083(4) Uani 1 1 d . . . . .
 O32 O 0.7743(8) 0.6461(8) 0.500000 0.052(4) Uani 1 2 d S T P . .
 O33 O 0.8416(8) 0.7676(8) 0.500000 0.050(4) Uani 1 2 d S T P . .
 O34 O 0.7032(8) 0.7661(9) 0.500000 0.063(5) Uani 1 2 d S T P . .
 N1 N 0.6105(8) 0.7146(10) 0.7296(5) 0.079(5) Uani 0.814(2) 1 d D U P C -1
 N2 N 0.8381(8) 0.8676(8) 0.7324(5) 0.064(4) Uani 0.814(2) 1 d D U P C -1
 N3 N 0.8497(8) 0.5938(8) 0.7345(4) 0.061(4) Uani 0.814(2) 1 d D U P C -1
 N4 N 0.688(5) 0.583(4) 0.729(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 N5 N 0.934(3) 0.709(4) 0.7365(18) 0.071(13) Uani 0.186(2) 1 d D U P C -1
 N6 N 0.693(5) 0.862(4) 0.739(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 C1 C 0.8846(10) 0.5421(9) 0.7218(6) 0.093(7) Uani 0.814(2) 1 d D U P C -1
 H1A H 0.891305 0.535698 0.691944 0.111 Uiso 0.814(2) 1 calc R U P C -1
 C1A C 0.651(5) 0.534(5) 0.714(2) 0.11(2) Uani 0.186(2) 1 d D U P C -1
 H1AA H 0.631814 0.537405 0.686118 0.137 Uiso 0.186(2) 1 calc R U P C -1
 C2 C 0.9115(13) 0.4972(11) 0.7498(6) 0.109(8) Uani 0.814(2) 1 d D U P C -1
 H2A H 0.936891 0.460954 0.739495 0.131 Uiso 0.814(2) 1 calc R U P C -1
 C3 C 0.9014(13) 0.5054(12) 0.7922(6) 0.096(8) Uani 0.814(2) 1 d D U P C -1
 H3A H 0.918231 0.473894 0.811942 0.116 Uiso 0.814(2) 1 calc R U P C -1
 C4 C 0.8669(12) 0.5587(11) 0.8064(5) 0.081(6) Uani 0.814(2) 1 d D U P C -1
 H4A H 0.862410 0.566881 0.836179 0.097 Uiso 0.814(2) 1 calc R U P C -1
 C5 C 0.8385(11) 0.6010(10) 0.7766(5) 0.073(6) Uani 0.814(2) 1 d D U P C -1
 H5A H 0.810550 0.635780 0.786217 0.087 Uiso 0.814(2) 1 calc R U P C -1
 C6 C 0.8599(9) 0.9246(8) 0.7173(5) 0.068(5) Uani 0.814(2) 1 d D U P C -1
 H6A H 0.863811 0.929527 0.687197 0.081 Uiso 0.814(2) 1 calc R U P C -1
 C7 C 0.8771(12) 0.9769(9) 0.7429(6) 0.096(7) Uani 0.814(2) 1 d D U P C -1
 H7A H 0.891809 1.017570 0.730921 0.115 Uiso 0.814(2) 1 calc R U P C -1
 C8 C 0.8724(15) 0.9686(11) 0.7862(6) 0.110(8) Uani 0.814(2) 1 d D U P C -1
 H8A H 0.884583 1.003554 0.804962 0.131 Uiso 0.814(2) 1 calc R U P C -1
 C9 C 0.8505(13) 0.9112(11) 0.8021(5) 0.095(7) Uani 0.814(2) 1 d D U P C -1
 H9 H 0.847770 0.904876 0.832165 0.114 Uiso 0.814(2) 1 calc R U P C -1
 C10 C 0.8319(12) 0.8612(10) 0.7746(5) 0.081(6) Uani 0.814(2) 1 d D U P C -1
 H10 H 0.814360 0.821341 0.786076 0.097 Uiso 0.814(2) 1 calc R U P C -1
 C11 C 0.5494(9) 0.7132(10) 0.7142(6) 0.079(6) Uani 0.814(2) 1 d D U P C -1
 H11 H 0.542795 0.718249 0.684314 0.095 Uiso 0.814(2) 1 calc R U P C -1
 C12 C 0.4950(9) 0.7045(11) 0.7406(6) 0.083(6) Uani 0.814(2) 1 d D U P C -1
 H12 H 0.451774 0.703598 0.728597 0.099 Uiso 0.814(2) 1 calc R U P C -1
 C13 C 0.5030(9) 0.6973(14) 0.7831(6) 0.091(7) Uani 0.814(2) 1 d D U P C -1
 H13 H 0.465798 0.690806 0.801234 0.110 Uiso 0.814(2) 1 calc R U P C -1
 C14 C 0.5656(10) 0.6994(15) 0.7998(5) 0.101(8) Uani 0.814(2) 1 d D U P C -1
 H14 H 0.572666 0.694909 0.829744 0.121 Uiso 0.814(2) 1 calc R U P C -1
 C15 C 0.6179(10) 0.7083(14) 0.7724(5) 0.092(7) Uani 0.814(2) 1 d D U P C -1
 H15 H 0.661361 0.710016 0.783973 0.111 Uiso 0.814(2) 1 calc R U P C -1
 C16 C 0.715(4) 0.580(4) 0.768(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H16 H 0.741647 0.615293 0.778669 0.142 Uiso 0.186(2) 1 calc R U P C -1
 C17 C 0.705(5) 0.525(5) 0.793(2) 0.13(2) Uani 0.186(2) 1 d D U P C -1
 H17 H 0.725177 0.521196 0.820852 0.150 Uiso 0.186(2) 1 calc R U P C -1
 C18 C 0.666(6) 0.475(4) 0.778(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H18 H 0.657053 0.437428 0.795904 0.150 Uiso 0.186(2) 1 calc R U P C -1
 C19 C 0.639(5) 0.479(4) 0.738(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H19 H 0.612532 0.443542 0.727726 0.143 Uiso 0.186(2) 1 calc R U P C -1
 C21 C 0.996(3) 0.697(4) 0.7225(17) 0.068(13) Uani 0.186(2) 1 d D U P C -1
 H21 H 1.005060 0.696050 0.692640 0.081 Uiso 0.186(2) 1 calc R U P C -1
 C22 C 1.047(3) 0.685(4) 0.751(2) 0.067(13) Uani 0.186(2) 1 d D U P C -1
 H22 H 1.090594 0.676871 0.740852 0.081 Uiso 0.186(2) 1 calc R U P C -1
 C23 C 1.034(3) 0.684(5) 0.794(2) 0.068(13) Uani 0.186(2) 1 d D U P C -1
 H23 H 1.067519 0.673883 0.813699 0.082 Uiso 0.186(2) 1 calc R U P C -1
 C24 C 0.971(3) 0.699(4) 0.8083(16) 0.069(13) Uani 0.186(2) 1 d D U P C -1
 H24 H 0.962059 0.701184 0.838105 0.083 Uiso 0.186(2) 1 calc R U P C -1
 C25 C 0.922(3) 0.711(4) 0.779(2) 0.071(13) Uani 0.186(2) 1 d D U P C -1
 H25 H 0.878367 0.720155 0.788502 0.085 Uiso 0.186(2) 1 calc R U P C -1
 C26 C 0.683(6) 0.924(5) 0.725(2) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H26 H 0.685362 0.932779 0.694700 0.145 Uiso 0.186(2) 1 calc R U P C -1
 C27 C 0.670(6) 0.975(3) 0.753(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H27 H 0.664151 1.018936 0.742494 0.148 Uiso 0.186(2) 1 calc R U P C -1
 C28 C 0.667(7) 0.962(4) 0.795(3) 0.12(2) Uani 0.186(2) 1 d D U P C -1
 H28 H 0.656866 0.996153 0.814998 0.148 Uiso 0.186(2) 1 calc R U P C -1
 C29 C 0.678(6) 0.899(5) 0.810(2) 0.13(2) Uani 0.186(2) 1 d D U P C -1
 H29 H 0.677782 0.890224 0.840042 0.154 Uiso 0.186(2) 1 calc R U P C -1
 C30 C 0.689(6) 0.849(4) 0.781(3) 0.13(2) Uani 0.186(2) 1 d D U P C -1
 H30 H 0.693253 0.804435 0.790639 0.154 Uiso 0.186(2) 1 calc R U P C -1
 O35 O 0.7579(16) 0.7153(17) 0.8525(8) 0.186(13) Uani 0.75 1 d . U P . .
 H35A H 0.739018 0.677073 0.856580 0.279 Uiso 0.75 1 d R U P . .
 H35B H 0.800518 0.719732 0.854460 0.279 Uiso 0.75 1 d R U P . .
 H35C H 0.734018 0.749792 0.858120 0.279 Uiso 0.75 1 d R U P . .
 O36 O 0.688(2) 0.576(2) 0.8673(14) 0.156(16) Uani 0.5 1 d . U P . .
 H36A H 0.698819 0.618149 0.867192 0.234 Uiso 0.5 1 d R U P . .
 H36B H 0.703902 0.558554 0.890571 0.234 Uiso 0.5 1 d R U P . .
 O37 O 0.664(3) 0.815(3) 0.8654(19) 0.17(2) Uani 0.375 1 d . U P . .
 H37A H 0.692662 0.783721 0.861720 0.254 Uiso 0.375 1 d R U P . .
 H37B H 0.628192 0.795520 0.873700 0.254 Uiso 0.375 1 d R U P . .
 O38 O 0.892(5) 0.729(5) 0.867(3) 0.17(4) Uani 0.25 1 d . U P . .
 H38A H 0.913060 0.765978 0.869801 0.261 Uiso 0.25 1 d R U P . .
 H38B H 0.922769 0.698629 0.868582 0.261 Uiso 0.25 1 d R U P . .
 O39 O 0.798(6) 0.853(6) 0.913(4) 0.23(5) Uani 0.25 1 d . U P . .
 H39A H 0.803618 0.843333 0.939691 0.348 Uiso 0.25 1 d R U P . .
 H39B H 0.799568 0.895873 0.911831 0.348 Uiso 0.25 1 d R U P . .
 O40 O 0.534(7) 0.800(7) 0.740(5) 0.20(6) Uani 0.1875 1 d . U P . .
 H40A H 0.496256 0.813540 0.750119 0.304 Uiso 0.1875 1 d R U P . .
 H40B H 0.533585 0.812340 0.713290 0.304 Uiso 0.1875 1 d R U P . .
 O41 O 0.518(4) 0.551(3) 0.669(2) 0.17(2) Uani 0.375 1 d . U P . .
 H41A H 0.505071 0.541519 0.694743 0.255 Uiso 0.375 1 d R U P . .
 H41B H 0.545151 0.584369 0.672372 0.255 Uiso 0.375 1 d R U P . .
 O48 O 0.531(4) 0.491(7) 0.637(3) 0.18(4) Uani 0.25 1 d . U P . .
 H41C H 0.517398 0.524581 0.650915 0.267 Uiso 0.25 1 d R U P . .
 H48A H 0.570692 0.474322 0.641294 0.267 Uiso 0.25 1 d R U P . .
 O42 O 0.563(4) 0.427(5) 0.616(3) 0.16(3) Uani 0.25 1 d . U P . .
 H42A H 0.532845 0.430419 0.636048 0.245 Uiso 0.25 1 d R U P . .
 H42B H 0.565735 0.466869 0.605528 0.245 Uiso 0.25 1 d R U P . .
 H42C H 0.603615 0.443449 0.617219 0.245 Uiso 0.25 1 d R U P . .
 O43 O 0.449(5) 0.747(5) 0.527(3) 0.19(4) Uani 0.25 1 d . U P . .
 H43A H 0.407523 0.733968 0.528044 0.284 Uiso 0.25 1 d R U P . .
 H43B H 0.461373 0.750948 0.500041 0.284 Uiso 0.5 2 d R U P . .
 O44 O 0.634(5) 1.036(4) 0.601(3) 0.17(3) Uani 0.25 1 d . U P . .
 H44A H 0.652920 0.997277 0.602026 0.253 Uiso 0.25 1 d R U P . .
 H44B H 0.610330 1.037197 0.624696 0.253 Uiso 0.25 1 d R U P . .
 O45 O 0.547(8) 0.612(8) 0.500000 0.20(6) Uani 0.25 2 d S TU P . .
 H45A H 0.507396 0.626683 0.504730 0.302 Uiso 0.125 1 d R U P . .
 H45B H 0.567036 0.604973 0.524300 0.302 Uiso 0.125 1 d R U P . .
 O46 O 1.0416(13) 0.5525(15) 0.6419(8) 0.187(12) Uani 0.875 1 d . . P . .
 H46A H 1.079586 0.542312 0.630325 0.280 Uiso 0.875 1 d R U P . .
 H46B H 1.021074 0.515041 0.645381 0.280 Uiso 0.875 1 d R U P . .
 O47 O 0.707(4) 0.941(4) 0.500000 0.15(3) Uani 0.375 2 d S TU P . .
 H47A H 0.721206 0.941432 0.526250 0.221 Uiso 0.1875 1 d R U P . .
 H47B H 0.742468 0.942453 0.484420 0.221 Uiso 0.1875 1 d R U P . .
 O49 O 0.477(6) 0.640(6) 0.540(4) 0.24(5) Uani 0.25 1 d . U P . .
 H49A H 0.446136 0.610418 0.543818 0.353 Uiso 0.25 1 d R U P . .
 H49B H 0.461076 0.655058 0.515638 0.353 Uiso 0.25 1 d R U P . .
 O50 O 0.947(2) 1.023(2) 0.6384(13) 0.176(19) Uani 0.5 1 d . U P . .
 H50A H 0.986804 1.005889 0.638370 0.265 Uiso 0.5 1 d R U P . .
 H50B H 0.922133 0.991989 0.627880 0.265 Uiso 0.5 1 d R U P . .
 H50C H 0.982904 1.040849 0.627430 0.265 Uiso 0.5 1 d R U P . .
 O51 O 0.530(5) 1.024(5) 0.618(3) 0.19(4) Uani 0.25 1 d . U P . .
 H51A H 0.541524 1.002542 0.641520 0.291 Uiso 0.25 1 d R U P . .
 H51B H 0.489554 1.020712 0.627779 0.291 Uiso 0.25 1 d R U P . .
 O52 O 0.421(6) 0.808(7) 0.532(4) 0.10(4) Uani 0.125 1 d . U P . .
 H52A H 0.421438 0.808479 0.499981 0.156 Uiso 0.25 2 d R U P . .
 H52B H 0.404338 0.846490 0.538801 0.156 Uiso 0.125 1 d R U P . .
 O53 O 0.822(3) 1.046(2) 0.6283(16) 0.21(2) Uani 0.5 1 d . U P . .
 H53A H 0.863851 1.038316 0.632395 0.311 Uiso 0.5 1 d R U P . .
 H53B H 0.808911 1.015237 0.611076 0.311 Uiso 0.5 1 d R U P . .
 N7 N 0.704(2) 1.0122(18) 0.7737(13) 0.152(11) Uani 0.6275 1 d D U P D -1
 H7B H 0.718395 1.041820 0.791997 0.183 Uiso 0.6275 1 calc R U P D -1
 C31 C 0.7056(19) 1.0274(17) 0.7322(14) 0.148(12) Uani 0.6275 1 d D U P D -1
 H31 H 0.721321 1.069267 0.722762 0.178 Uiso 0.6275 1 calc R U P D -1
 C32 C 0.684(2) 0.980(2) 0.7031(11) 0.151(12) Uani 0.6275 1 d D U P D -1
 H32 H 0.685217 0.988079 0.673149 0.181 Uiso 0.6275 1 calc R U P D -1
 C33 C 0.661(2) 0.9208(19) 0.7183(13) 0.139(12) Uani 0.6275 1 d D U P D -1
 H33 H 0.644118 0.889081 0.698654 0.167 Uiso 0.6275 1 calc R U P D -1
 C34 C 0.662(2) 0.9061(16) 0.7610(14) 0.148(12) Uani 0.6275 1 d D U P D -1
 H34 H 0.649226 0.863378 0.770891 0.178 Uiso 0.6275 1 calc R U P D -1
 C35 C 0.681(3) 0.955(2) 0.7896(11) 0.149(12) Uani 0.6275 1 d D U P D -1
 H35 H 0.677527 0.948488 0.819605 0.179 Uiso 0.6275 1 calc R U P D -1
 N8 N 1.126(3) 0.612(3) 0.5284(15) 0.075(15) Uani 0.2083 1 d D U P E -1
 H8B H 1.144495 0.584661 0.546593 0.090 Uiso 0.2083 1 calc R U P E -1
 C36 C 1.145(3) 0.613(3) 0.4875(15) 0.069(15) Uani 0.2083 1 d D U P E -1
 H36 H 1.178899 0.583515 0.478204 0.083 Uiso 0.2083 1 calc R U P E -1
 C37 C 1.116(3) 0.656(3) 0.4587(13) 0.066(15) Uani 0.2083 1 d D U P E -1
 H37 H 1.129877 0.655793 0.429540 0.080 Uiso 0.2083 1 calc R U P E -1
 C38 C 1.068(3) 0.698(3) 0.4725(17) 0.067(15) Uani 0.2083 1 d D U P E -1
 H38 H 1.048888 0.728367 0.453060 0.081 Uiso 0.2083 1 calc R U P E -1
 C39 C 1.048(3) 0.697(3) 0.5142(18) 0.078(16) Uani 0.2083 1 d D U P E -1
 H39 H 1.014103 0.725573 0.523940 0.094 Uiso 0.2083 1 calc R U P E -1
 C40 C 1.078(3) 0.653(3) 0.5418(15) 0.077(16) Uani 0.2083 1 d D U P E -1
 H40 H 1.064674 0.651722 0.570975 0.093 Uiso 0.2083 1 calc R U P E -1
 N9 N 0.685(4) 0.400(3) 0.473(2) 0.063(18) Uani 0.125 1 d D U P F -1
 H9A H 0.676559 0.430616 0.453612 0.076 Uiso 0.125 1 calc R U P F -1
 C41 C 0.667(4) 0.410(3) 0.514(2) 0.059(19) Uani 0.125 1 d D U P F -1
 H41 H 0.645538 0.449930 0.521736 0.071 Uiso 0.125 1 calc R U P F -1
 C42 C 0.680(5) 0.362(4) 0.544(2) 0.060(19) Uani 0.125 1 d D U P F -1
 H42 H 0.667969 0.369165 0.573279 0.073 Uiso 0.125 1 calc R U P F -1
 C43 C 0.709(5) 0.304(4) 0.532(2) 0.066(19) Uani 0.125 1 d D U P F -1
 H43 H 0.715614 0.270271 0.552449 0.079 Uiso 0.125 1 calc R U P F -1
 C44 C 0.729(4) 0.295(3) 0.491(2) 0.060(19) Uani 0.125 1 d D U P F -1
 H44 H 0.751961 0.255831 0.482694 0.072 Uiso 0.125 1 calc R U P F -1
 C45 C 0.716(5) 0.344(4) 0.461(2) 0.065(19) Uani 0.125 1 d D U P F -1
 H45 H 0.728750 0.338426 0.432185 0.078 Uiso 0.125 1 calc R U P F -1
 N10 N 0.939(2) 1.083(2) 0.514(2) 0.105(16) Uani 0.25 1 d D U P G -1
 H10A H 0.959213 1.120736 0.519743 0.126 Uiso 0.25 1 calc R U P G -1
 C46 C 0.941(3) 1.058(3) 0.4742(19) 0.101(16) Uani 0.25 1 d D U P G -1
 H46 H 0.965068 1.081260 0.452637 0.122 Uiso 0.25 1 calc R U P G -1
 C47 C 0.909(3) 1.000(3) 0.464(2) 0.104(17) Uani 0.25 1 d D U P G -1
 H47 H 0.910933 0.982581 0.435969 0.125 Uiso 0.25 1 calc R U P G -1
 C48 C 0.874(3) 0.969(3) 0.495(2) 0.109(17) Uani 0.25 1 d D U P G -1
 H48 H 0.850488 0.929515 0.488705 0.131 Uiso 0.25 1 calc R U P G -1
 C49 C 0.873(4) 0.993(3) 0.536(2) 0.112(17) Uani 0.25 1 d D U P G -1
 H49 H 0.848479 0.970704 0.557736 0.134 Uiso 0.25 1 calc R U P G -1
 C50 C 0.907(4) 1.050(3) 0.5451(19) 0.111(17) Uani 0.25 1 d D U P G -1
 H50 H 0.907697 1.066840 0.573591 0.133 Uiso 0.25 1 calc R U P G -1
 N11 N 1.012(3) 0.486(4) 0.5409(17) 0.082(16) Uani 0.2058 1 d D U P H -1
 H11A H 1.011367 0.465190 0.565505 0.099 Uiso 0.2058 1 calc R U P H -1
 C51 C 1.067(3) 0.483(4) 0.517(2) 0.083(17) Uani 0.2058 1 d D U P H -1
 H51 H 1.104744 0.458953 0.526746 0.099 Uiso 0.2058 1 calc R U P H -1
 C52 C 1.068(3) 0.513(4) 0.477(2) 0.090(17) Uani 0.2058 1 d D U P H -1
 H52 H 1.106534 0.511249 0.459469 0.108 Uiso 0.2058 1 calc R U P H -1
 C53 C 1.013(4) 0.546(4) 0.464(2) 0.085(17) Uani 0.2058 1 d D U P H -1
 H53 H 1.013765 0.568850 0.437057 0.101 Uiso 0.2058 1 calc R U P H -1
 C54 C 0.957(3) 0.548(4) 0.4881(19) 0.079(16) Uani 0.2058 1 d D U P H -1
 H54 H 0.917485 0.567514 0.477338 0.095 Uiso 0.2058 1 calc R U P H -1
 C55 C 0.959(3) 0.521(4) 0.5289(19) 0.076(16) Uani 0.2058 1 d D U P H -1
 H55 H 0.923042 0.527598 0.548120 0.092 Uiso 0.2058 1 calc R U P H -1
 N12 N 0.587(4) 0.986(7) 0.517(4) 0.06(3) Uani 0.0833 1 d D U P I -1
 H12A H 0.630112 0.986057 0.520103 0.078 Uiso 0.0833 1 calc R U P I -1
 C56 C 0.558(6) 0.955(7) 0.484(3) 0.06(3) Uani 0.0833 1 d D U P I -1
 H56 H 0.585680 0.933510 0.463473 0.075 Uiso 0.0833 1 calc R U P I -1
 C57 C 0.491(6) 0.953(7) 0.479(3) 0.06(3) Uani 0.0833 1 d D U P I -1
 H57 H 0.470907 0.931579 0.455521 0.078 Uiso 0.0833 1 calc R U P I -1
 C58 C 0.452(4) 0.983(7) 0.510(4) 0.07(3) Uani 0.0833 1 d D U P I -1
 H58 H 0.405504 0.980420 0.507742 0.079 Uiso 0.0833 1 calc R U P I -1
 C59 C 0.481(5) 1.016(7) 0.543(4) 0.06(3) Uani 0.0833 1 d D U P I -1
 H59 H 0.454090 1.038190 0.563412 0.078 Uiso 0.0833 1 calc R U P I -1
 C60 C 0.549(5) 1.016(7) 0.547(3) 0.07(3) Uani 0.0833 1 d D U P I -1
 H60 H 0.569095 1.038563 0.570129 0.079 Uiso 0.0833 1 calc R U P I -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
 Tb1 Tb1 3.6902(15) 6_556 ?
 Tb1 P1 3.306(5) . ?
 Tb1 P2 3.170(6) . ?
 Tb1 O7 2.567(10) . ?
 Tb1 O15 2.415(13) . ?
 Tb1 O16 2.654(18) . ?
 Tb1 O17 2.531(17) . ?
 Tb1 O18 2.543(15) . ?
 Tb1 O19 2.432(12) . ?
 Tb1 O32 2.480(11) . ?
 Tb1 O33 2.452(10) . ?
 Tb1 O34 2.436(11) . ?
 Mo1 Mo2 2.531(3) . ?
 Mo1 Mo3 2.499(3) . ?
 Mo1 O1 1.934(15) . ?
 Mo1 O3 1.921(14) . ?
 Mo1 O7 2.074(11) . ?
 Mo1 O8 2.039(13) . ?
 Mo1 O9 2.109(12) . ?
 Mo1 N3 2.209(15) . ?
 Mo2 Mo3 2.513(3) . ?
 Mo2 O1 1.932(14) . ?
 Mo2 O2 1.906(16) . ?
 Mo2 O7 2.051(11) . ?
 Mo2 O10 2.056(12) . ?
 Mo2 O11 2.053(13) . ?
 Mo2 N2 2.228(16) . ?
 Mo3 O2 1.896(16) . ?
 Mo3 O3 1.924(15) . ?
 Mo3 O7 2.038(11) . ?
 Mo3 O12 2.057(13) . ?
 Mo3 O13 2.121(13) . ?
 Mo3 N1 2.208(16) . ?
 Mo4 Mo5 2.45(2) . ?
 Mo4 Mo6 2.469(15) . ?
 Mo4 O4 1.92(5) . ?
 Mo4 O5 2.00(2) . ?
 Mo4 O7 2.170(16) . ?
 Mo4 O8 2.176(16) . ?
 Mo4 O13 2.116(18) . ?
 Mo4 N4 2.15(7) . ?
 Mo5 Mo6 2.521(16) . ?
 Mo5 O4 1.92(5) . ?
 Mo5 O6 1.79(10) . ?
 Mo5 O7 2.062(16) . ?
 Mo5 O9 2.081(15) . ?
 Mo5 O10 2.316(18) . ?
 Mo5 N5 2.45(5) . ?
 Mo6 O5 1.98(2) . ?
 Mo6 O6 2.19(9) . ?
 Mo6 O7 2.053(13) . ?
 Mo6 O11 2.263(17) . ?
 Mo6 O12 2.134(19) . ?
 Mo6 N6 2.35(6) . ?
 Mo7 O8 1.794(11) . ?
 Mo7 O14 2.198(15) . ?
 Mo7 O15 2.249(13) . ?
 Mo7 O20 1.735(15) . ?
 Mo7 O21 1.685(16) . ?
 Mo7 O29 2.069(11) . ?
 Mo8 O10 1.793(12) . ?
 Mo8 O18 2.217(15) . ?
 Mo8 O19 2.243(12) . ?
 Mo8 O24 1.664(16) . ?
 Mo8 O25 1.671(17) . ?
 Mo8 O30 2.069(10) . ?
 Mo9 O12 1.777(13) . ?
 Mo9 O16 2.189(16) . ?
 Mo9 O17 2.225(14) . ?
 Mo9 O22 1.691(17) . ?
 Mo9 O23 1.599(19) . ?
 Mo9 O31 2.070(11) . ?
 P1 H1 1.3903 . ?
 P1 O9 1.519(11) . ?
 P1 O14 1.466(16) . ?
 P1 O19 1.523(13) . ?
 P1 O26 1.47(3) . ?
 P2 H2 1.3906 . ?
 P2 O11 1.531(12) . ?
 P2 O17 1.513(16) . ?
 P2 O18 1.524(15) . ?
 P2 O27 1.51(3) . ?
 P3 H3 1.3904 . ?
 P3 O13 1.519(12) . ?
 P3 O15 1.536(14) . ?
 P3 O16 1.508(18) . ?
 P3 O28 1.46(7) . ?
 P4 H4 1.3909 . ?
 P4 O29 1.508(12) . ?
 P4 O29 1.508(12) 6_556 ?
 P4 O32 1.522(17) . ?
 P5 H5 1.3892 . ?
 P5 O30 1.524(18) . ?
 P5 O30 1.524(18) 6_556 ?
 P5 O33 1.46(2) . ?
 P6 H6 1.3879 . ?
 P6 O30 1.52(2) . ?
 P6 O30 1.52(2) 6_556 ?
 P6 O33 1.48(3) . ?
 P7 H7 1.3902 . ?
 P7 O31 1.51(3) 6_556 ?
 P7 O31 1.51(3) . ?
 P7 O34 1.55(3) . ?
 P8 H8 1.3902 . ?
 P8 O31 1.54(3) 6_556 ?
 P8 O31 1.54(3) . ?
 P8 O34 1.60(3) . ?
 O26 H1 0.2601 . ?
 O27 H2 0.1808 . ?
 O28 H3 0.0986 . ?
 N1 C11 1.324(16) . ?
 N1 C15 1.349(16) . ?
 N2 C6 1.320(16) . ?
 N2 C10 1.330(16) . ?
 N3 C1 1.323(16) . ?
 N3 C5 1.341(15) . ?
 N4 C1A 1.341(19) . ?
 N4 C16 1.341(19) . ?
 N5 C21 1.348(15) . ?
 N5 C25 1.346(15) . ?
 N6 C26 1.343(19) . ?
 N6 C30 1.345(19) . ?
 C1 H1A 0.9500 . ?
 C1 C2 1.372(16) . ?
 C1A H1AA 0.9500 . ?
 C1A C19 1.378(19) . ?
 C2 H2A 0.9500 . ?
 C2 C3 1.350(17) . ?
 C3 H3A 0.9500 . ?
 C3 C4 1.357(17) . ?
 C4 H4A 0.9500 . ?
 C4 C5 1.388(16) . ?
 C5 H5A 0.9500 . ?
 C6 H6A 0.9500 . ?
 C6 C7 1.370(16) . ?
 C7 H7A 0.9500 . ?
 C7 C8 1.367(17) . ?
 C8 H8A 0.9500 . ?
 C8 C9 1.338(17) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.376(16) . ?
 C10 H10 0.9500 . ?
 C11 H11 0.9500 . ?
 C11 C12 1.385(16) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.346(16) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.369(17) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.374(16) . ?
 C15 H15 0.9500 . ?
 C16 H16 0.9500 . ?
 C16 C17 1.381(19) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.363(19) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.362(19) . ?
 C19 H19 0.9500 . ?
 C21 H21 0.9500 . ?
 C21 C22 1.375(13) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.369(13) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.372(13) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.375(13) . ?
 C25 H25 0.9500 . ?
 C26 H26 0.9500 . ?
 C26 C27 1.382(19) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.362(19) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.363(19) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.387(19) . ?
 C30 H30 0.9500 . ?
 O35 H35A 0.8701 . ?
 O35 H35B 0.8688 . ?
 O35 H35C 0.8658 . ?
 O36 H36A 0.8696 . ?
 O36 H36B 0.8701 . ?
 O37 H37A 0.8707 . ?
 O37 H37B 0.8696 . ?
 O38 H38A 0.8698 . ?
 O38 H38B 0.8697 . ?
 O39 H39A 0.8691 . ?
 O39 H39B 0.8701 . ?
 O40 H40A 0.8700 . ?
 O40 H40B 0.8701 . ?
 O41 H41A 0.8706 . ?
 O41 H41B 0.8706 . ?
 O41 O48 1.64(11) 2_665 ?
 O41 H41C 0.7768 . ?
 O48 H41C 1.12(19) 2_665 ?
 O48 H41C 0.8556 . ?
 O48 H48A 0.8700 . ?
 O48 H42A 1.2178 . ?
 O48 H42B 1.3021 . ?
 O42 H48A 1.2443 . ?
 O42 H42A 0.8700 . ?
 O42 H42B 0.8699 . ?
 O42 H42C 0.8878 . ?
 O43 H43A 0.8698 . ?
 O43 H43B 0.8966 . ?
 O44 H44A 0.8698 . ?
 O44 H44B 0.8702 . ?
 O45 H45A 0.8697 . ?
 O45 H45A 0.8697 6_556 ?
 O45 H45B 0.8702 6_556 ?
 O45 H45B 0.8702 . ?
 O46 H46A 0.8734 . ?
 O46 H46B 0.8699 . ?
 O47 H7 1.3657 . ?
 O47 H47A 0.8701 . ?
 O47 H47A 0.8701 6_556 ?
 O47 H47B 0.8699 . ?
 O47 H47B 0.8699 6_556 ?
 O49 H45A 1.2914 . ?
 O49 H49A 0.8699 . ?
 O49 H49B 0.8732 . ?
 O50 H50A 0.8693 . ?
 O50 H50A 1.45(9) 2_775 ?
 O50 H50B 0.8705 . ?
 O50 H50C 0.8744 . ?
 O51 H51A 0.8828 . ?
 O51 H51B 1.04(18) 2_675 ?
 O51 H51B 0.8699 . ?
 O52 H52A 0.9953 . ?
 O52 H52B 0.8698 . ?
 O53 H53A 0.8701 . ?
 O53 H53B 0.8695 . ?
 N7 H7B 0.8800 . ?
 N7 C31 1.334(18) . ?
 N7 C35 1.335(19) . ?
 C31 H31 0.9500 . ?
 C31 C32 1.397(18) . ?
 C32 H32 0.9500 . ?
 C32 C33 1.362(18) . ?
 C33 H33 0.9500 . ?
 C33 C34 1.368(18) . ?
 C34 H34 0.9500 . ?
 C34 C35 1.390(19) . ?
 C35 H35 0.9500 . ?
 N8 H8B 0.8800 . ?
 N8 C36 1.337(19) . ?
 N8 C40 1.334(19) . ?
 C36 H36 0.9500 . ?
 C36 C37 1.377(19) . ?
 C37 H37 0.9500 . ?
 C37 C38 1.363(19) . ?
 C38 H38 0.9500 . ?
 C38 C39 1.366(19) . ?
 C39 H39 0.9500 . ?
 C39 C40 1.378(19) . ?
 C40 H40 0.9500 . ?
 N9 H9A 0.8800 . ?
 N9 C41 1.342(19) . ?
 N9 C45 1.338(19) . ?
 C41 H41 0.9500 . ?
 C41 C42 1.381(19) . ?
 C42 H42 0.9500 . ?
 C42 C43 1.362(19) . ?
 C43 H43 0.9500 . ?
 C43 C44 1.361(19) . ?
 C44 H44 0.9500 . ?
 C44 C45 1.387(19) . ?
 C45 H45 0.9500 . ?
 N10 H10A 0.8800 . ?
 N10 C46 1.339(19) . ?
 N10 C50 1.346(19) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.380(19) . ?
 C47 H47 0.9500 . ?
 C47 C48 1.360(19) . ?
 C48 H48 0.9500 . ?
 C48 C49 1.361(19) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.380(19) . ?
 C50 H50 0.9500 . ?
 N11 H11A 0.8800 . ?
 N11 C51 1.341(19) . ?
 N11 C55 1.343(19) . ?
 C51 H51 0.9500 . ?
 C51 C52 1.388(19) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.365(19) . ?
 C53 H53 0.9500 . ?
 C53 C54 1.365(19) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.386(19) . ?
 C55 H55 0.9500 . ?
 N12 H12A 0.8800 . ?
 N12 C56 1.343(19) . ?
 N12 C60 1.343(19) . ?
 C56 H56 0.9500 . ?
 C56 C57 1.380(19) . ?
 C57 H57 0.9500 . ?
 C57 C58 1.363(19) . ?
 C58 H58 0.9500 . ?
 C58 C59 1.361(19) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.381(19) . ?
 C60 H60 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 Tb1 Tb1 115.79(7) . 6_556 ?
 P2 Tb1 Tb1 115.52(9) . 6_556 ?
 P2 Tb1 P1 104.50(14) . . ?
 O7 Tb1 Tb1 178.4(3) . 6_556 ?
 O7 Tb1 P1 65.0(3) . . ?
 O7 Tb1 P2 65.3(3) . . ?
 O7 Tb1 O16 72.6(4) . . ?
 O15 Tb1 Tb1 108.4(3) . 6_556 ?
 O15 Tb1 P1 81.1(3) . . ?
 O15 Tb1 P2 126.5(3) . . ?
 O15 Tb1 O7 70.2(4) . . ?
 O15 Tb1 O16 54.6(5) . . ?
 O15 Tb1 O17 110.0(5) . . ?
 O15 Tb1 O18 144.5(4) . . ?
 O15 Tb1 O19 106.3(4) . . ?
 O15 Tb1 O32 71.8(4) . . ?
 O15 Tb1 O33 140.3(4) . . ?
 O15 Tb1 O34 103.9(5) . . ?
 O16 Tb1 Tb1 105.9(3) . 6_556 ?
 O16 Tb1 P1 126.8(4) . . ?
 O16 Tb1 P2 84.3(4) . . ?
 O17 Tb1 Tb1 108.2(3) . 6_556 ?
 O17 Tb1 P1 128.2(3) . . ?
 O17 Tb1 P2 28.0(3) . . ?
 O17 Tb1 O7 71.8(4) . . ?
 O17 Tb1 O16 59.0(5) . . ?
 O17 Tb1 O18 55.3(5) . . ?
 O18 Tb1 Tb1 107.0(3) . 6_556 ?
 O18 Tb1 P1 85.7(3) . . ?
 O18 Tb1 P2 28.3(3) . . ?
 O18 Tb1 O7 74.3(4) . . ?
 O18 Tb1 O16 112.6(5) . . ?
 O19 Tb1 Tb1 109.5(3) . 6_556 ?
 O19 Tb1 P1 25.4(3) . . ?
 O19 Tb1 P2 86.7(3) . . ?
 O19 Tb1 O7 71.8(4) . . ?
 O19 Tb1 O16 143.9(4) . . ?
 O19 Tb1 O17 114.2(4) . . ?
 O19 Tb1 O18 63.0(4) . . ?
 O19 Tb1 O32 101.4(4) . . ?
 O19 Tb1 O33 74.3(4) . . ?
 O19 Tb1 O34 143.8(4) . . ?
 O32 Tb1 Tb1 41.9(3) . 6_556 ?
 O32 Tb1 P1 90.6(3) . . ?
 O32 Tb1 P2 157.4(3) . . ?
 O32 Tb1 O7 137.2(4) . . ?
 O32 Tb1 O16 100.2(5) . . ?
 O32 Tb1 O17 141.2(4) . . ?
 O32 Tb1 O18 141.5(4) . . ?
 O33 Tb1 Tb1 41.2(3) . 6_556 ?
 O33 Tb1 P1 91.5(3) . . ?
 O33 Tb1 P2 93.2(3) . . ?
 O33 Tb1 O7 140.4(4) . . ?
 O33 Tb1 O16 141.0(5) . . ?
 O33 Tb1 O17 105.1(5) . . ?
 O33 Tb1 O18 72.5(4) . . ?
 O33 Tb1 O32 69.4(4) . . ?
 O34 Tb1 Tb1 40.8(3) . 6_556 ?
 O34 Tb1 P1 156.5(3) . . ?
 O34 Tb1 P2 91.0(4) . . ?
 O34 Tb1 O7 138.4(4) . . ?
 O34 Tb1 O16 71.4(5) . . ?
 O34 Tb1 O17 72.2(4) . . ?
 O34 Tb1 O18 101.2(5) . . ?
 O34 Tb1 O32 69.9(5) . . ?
 O34 Tb1 O33 69.8(4) . . ?
 Mo3 Mo1 Mo2 59.94(9) . . ?
 O1 Mo1 Mo2 49.1(4) . . ?
 O1 Mo1 Mo3 94.4(5) . . ?
 O1 Mo1 O7 100.1(5) . . ?
 O1 Mo1 O8 166.0(6) . . ?
 O1 Mo1 O9 90.1(6) . . ?
 O1 Mo1 N3 82.7(6) . . ?
 O3 Mo1 Mo2 95.0(5) . . ?
 O3 Mo1 Mo3 49.5(4) . . ?
 O3 Mo1 O1 94.6(6) . . ?
 O3 Mo1 O7 100.7(6) . . ?
 O3 Mo1 O8 90.7(6) . . ?
 O3 Mo1 O9 167.4(6) . . ?
 O3 Mo1 N3 82.6(6) . . ?
 O7 Mo1 Mo2 51.7(3) . . ?
 O7 Mo1 Mo3 51.9(3) . . ?
 O7 Mo1 O9 89.9(4) . . ?
 O7 Mo1 N3 175.4(5) . . ?
 O8 Mo1 Mo2 143.3(3) . . ?
 O8 Mo1 Mo3 98.8(4) . . ?
 O8 Mo1 O7 91.6(4) . . ?
 O8 Mo1 O9 82.2(5) . . ?
 O8 Mo1 N3 85.1(5) . . ?
 O9 Mo1 Mo2 96.9(3) . . ?
 O9 Mo1 Mo3 141.8(3) . . ?
 O9 Mo1 N3 86.4(5) . . ?
 N3 Mo1 Mo2 131.5(4) . . ?
 N3 Mo1 Mo3 131.8(4) . . ?
 Mo3 Mo2 Mo1 59.40(8) . . ?
 O1 Mo2 Mo1 49.2(5) . . ?
 O1 Mo2 Mo3 94.1(5) . . ?
 O1 Mo2 O7 101.0(5) . . ?
 O1 Mo2 O10 88.3(6) . . ?
 O1 Mo2 O11 167.2(6) . . ?
 O1 Mo2 N2 85.0(6) . . ?
 O2 Mo2 Mo1 92.6(5) . . ?
 O2 Mo2 Mo3 48.5(5) . . ?
 O2 Mo2 O1 92.7(7) . . ?
 O2 Mo2 O7 99.7(6) . . ?
 O2 Mo2 O10 169.3(6) . . ?
 O2 Mo2 O11 92.9(6) . . ?
 O2 Mo2 N2 83.5(6) . . ?
 O7 Mo2 Mo1 52.6(3) . . ?
 O7 Mo2 Mo3 51.9(3) . . ?
 O7 Mo2 O10 90.6(4) . . ?
 O7 Mo2 O11 89.3(5) . . ?
 O7 Mo2 N2 173.0(5) . . ?
 O10 Mo2 Mo1 96.1(4) . . ?
 O10 Mo2 Mo3 142.1(3) . . ?
 O10 Mo2 N2 86.0(5) . . ?
 O11 Mo2 Mo1 141.8(4) . . ?
 O11 Mo2 Mo3 98.2(4) . . ?
 O11 Mo2 O10 84.1(5) . . ?
 O11 Mo2 N2 84.3(5) . . ?
 N2 Mo2 Mo1 133.8(4) . . ?
 N2 Mo2 Mo3 131.9(4) . . ?
 Mo1 Mo3 Mo2 60.66(9) . . ?
 O2 Mo3 Mo1 93.9(5) . . ?
 O2 Mo3 Mo2 48.8(5) . . ?
 O2 Mo3 O3 93.6(6) . . ?
 O2 Mo3 O7 100.5(6) . . ?
 O2 Mo3 O12 89.1(7) . . ?
 O2 Mo3 O13 167.7(6) . . ?
 O2 Mo3 N1 85.6(7) . . ?
 O3 Mo3 Mo1 49.4(4) . . ?
 O3 Mo3 Mo2 95.5(4) . . ?
 O3 Mo3 O7 101.9(5) . . ?
 O3 Mo3 O12 165.7(6) . . ?
 O3 Mo3 O13 91.0(6) . . ?
 O3 Mo3 N1 81.5(6) . . ?
 O7 Mo3 Mo1 53.2(3) . . ?
 O7 Mo3 Mo2 52.3(3) . . ?
 O7 Mo3 O12 91.4(5) . . ?
 O7 Mo3 O13 89.7(5) . . ?
 O7 Mo3 N1 172.7(5) . . ?
 O12 Mo3 Mo1 144.5(4) . . ?
 O12 Mo3 Mo2 96.9(5) . . ?
 O12 Mo3 O13 83.8(6) . . ?
 O12 Mo3 N1 84.7(6) . . ?
 O13 Mo3 Mo1 97.7(4) . . ?
 O13 Mo3 Mo2 142.0(3) . . ?
 O13 Mo3 N1 83.8(6) . . ?
 N1 Mo3 Mo1 130.8(5) . . ?
 N1 Mo3 Mo2 134.2(5) . . ?
 Mo5 Mo4 Mo6 61.6(5) . . ?
 O4 Mo4 Mo5 50.4(13) . . ?
 O4 Mo4 Mo6 98.1(17) . . ?
 O4 Mo4 O5 94(2) . . ?
 O4 Mo4 O7 102.0(15) . . ?
 O4 Mo4 O8 79(2) . . ?
 O4 Mo4 O13 167.4(17) . . ?
 O4 Mo4 N4 82(3) . . ?
 O5 Mo4 Mo5 95.5(9) . . ?
 O5 Mo4 Mo6 51.4(7) . . ?
 O5 Mo4 O7 103.2(9) . . ?
 O5 Mo4 O8 170.0(11) . . ?
 O5 Mo4 O13 93.1(12) . . ?
 O5 Mo4 N4 84(3) . . ?
 O7 Mo4 Mo5 52.5(5) . . ?
 O7 Mo4 Mo6 52.0(4) . . ?
 O7 Mo4 O8 85.5(6) . . ?
 O8 Mo4 Mo5 85.7(6) . . ?
 O8 Mo4 Mo6 136.2(7) . . ?
 O13 Mo4 Mo5 138.9(6) . . ?
 O13 Mo4 Mo6 94.5(7) . . ?
 O13 Mo4 O7 86.4(6) . . ?
 O13 Mo4 O8 92.4(7) . . ?
 O13 Mo4 N4 89(3) . . ?
 N4 Mo4 Mo5 132(3) . . ?
 N4 Mo4 Mo6 135(2) . . ?
 N4 Mo4 O7 172(3) . . ?
 N4 Mo4 O8 88(2) . . ?
 Mo4 Mo5 Mo6 59.5(5) . . ?
 Mo4 Mo5 N5 133.7(17) . . ?
 O4 Mo5 Mo4 50.2(13) . . ?
 O4 Mo5 Mo6 96.2(17) . . ?
 O4 Mo5 O7 105.8(15) . . ?
 O4 Mo5 O9 93(2) . . ?
 O4 Mo5 O10 170.8(15) . . ?
 O4 Mo5 N5 84(2) . . ?
 O6 Mo5 Mo4 101(3) . . ?
 O6 Mo5 Mo6 58(3) . . ?
 O6 Mo5 O4 96(4) . . ?
 O6 Mo5 O7 108(3) . . ?
 O6 Mo5 O9 156(3) . . ?
 O6 Mo5 O10 82(3) . . ?
 O6 Mo5 N5 79(3) . . ?
 O7 Mo5 Mo4 56.6(6) . . ?
 O7 Mo5 Mo6 52.1(5) . . ?
 O7 Mo5 O9 91.0(6) . . ?
 O7 Mo5 O10 83.4(5) . . ?
 O7 Mo5 N5 167.3(16) . . ?
 O9 Mo5 Mo4 101.9(7) . . ?
 O9 Mo5 Mo6 143.0(6) . . ?
 O9 Mo5 O10 86.0(6) . . ?
 O9 Mo5 N5 79.9(16) . . ?
 O10 Mo5 Mo4 139.0(6) . . ?
 O10 Mo5 Mo6 90.1(5) . . ?
 O10 Mo5 N5 87.2(17) . . ?
 N5 Mo5 Mo6 136.7(16) . . ?
 Mo4 Mo6 Mo5 58.9(5) . . ?
 O5 Mo6 Mo4 51.9(7) . . ?
 O5 Mo6 Mo5 93.8(9) . . ?
 O5 Mo6 O6 91(3) . . ?
 O5 Mo6 O7 108.0(9) . . ?
 O5 Mo6 O11 168.0(9) . . ?
 O5 Mo6 O12 89.6(12) . . ?
 O5 Mo6 N6 83(3) . . ?
 O6 Mo6 Mo4 90(3) . . ?
 O6 Mo6 Mo5 44(3) . . ?
 O6 Mo6 O11 90(3) . . ?
 O6 Mo6 N6 85(4) . . ?
 O7 Mo6 Mo4 56.4(5) . . ?
 O7 Mo6 Mo5 52.4(4) . . ?
 O7 Mo6 O6 95(3) . . ?
 O7 Mo6 O11 83.7(5) . . ?
 O7 Mo6 O12 88.9(6) . . ?
 O7 Mo6 N6 169(3) . . ?
 O11 Mo6 Mo4 140.0(6) . . ?
 O11 Mo6 Mo5 95.6(6) . . ?
 O11 Mo6 N6 86(2) . . ?
 O12 Mo6 Mo4 94.1(7) . . ?
 O12 Mo6 Mo5 140.1(6) . . ?
 O12 Mo6 O6 176(3) . . ?
 O12 Mo6 O11 88.0(6) . . ?
 O12 Mo6 N6 91(3) . . ?
 N6 Mo6 Mo4 134(2) . . ?
 N6 Mo6 Mo5 129(3) . . ?
 O8 Mo7 O14 82.8(6) . . ?
 O8 Mo7 O15 83.9(5) . . ?
 O8 Mo7 O29 153.9(5) . . ?
 O14 Mo7 O15 75.3(6) . . ?
 O20 Mo7 O8 102.7(6) . . ?
 O20 Mo7 O14 91.5(7) . . ?
 O20 Mo7 O15 164.5(6) . . ?
 O20 Mo7 O29 93.2(6) . . ?
 O21 Mo7 O8 103.4(6) . . ?
 O21 Mo7 O14 161.7(7) . . ?
 O21 Mo7 O15 88.2(7) . . ?
 O21 Mo7 O20 103.6(8) . . ?
 O21 Mo7 O29 92.5(6) . . ?
 O29 Mo7 O14 76.2(5) . . ?
 O29 Mo7 O15 76.0(4) . . ?
 O10 Mo8 O18 83.6(5) . . ?
 O10 Mo8 O19 85.0(5) . . ?
 O10 Mo8 O30 155.8(5) . . ?
 O18 Mo8 O19 71.4(5) . . ?
 O24 Mo8 O10 101.7(7) . . ?
 O24 Mo8 O18 91.8(8) . . ?
 O24 Mo8 O19 161.3(7) . . ?
 O24 Mo8 O25 105.6(9) . . ?
 O24 Mo8 O30 92.5(6) . . ?
 O25 Mo8 O10 102.5(6) . . ?
 O25 Mo8 O18 159.6(7) . . ?
 O25 Mo8 O19 89.6(7) . . ?
 O25 Mo8 O30 92.1(6) . . ?
 O30 Mo8 O18 76.4(5) . . ?
 O30 Mo8 O19 75.9(4) . . ?
 O12 Mo9 O16 83.4(6) . . ?
 O12 Mo9 O17 84.1(6) . . ?
 O12 Mo9 O31 154.5(5) . . ?
 O16 Mo9 O17 70.8(7) . . ?
 O22 Mo9 O12 103.4(7) . . ?
 O22 Mo9 O16 92.9(8) . . ?
 O22 Mo9 O17 161.4(7) . . ?
 O22 Mo9 O31 93.5(7) . . ?
 O23 Mo9 O12 102.0(7) . . ?
 O23 Mo9 O16 159.7(9) . . ?
 O23 Mo9 O17 90.1(9) . . ?
 O23 Mo9 O22 104.6(10) . . ?
 O23 Mo9 O31 91.8(7) . . ?
 O31 Mo9 O16 76.8(5) . . ?
 O31 Mo9 O17 74.4(5) . . ?
 Tb1 P1 H1 137.4 . . ?
 O9 P1 Tb1 112.7(5) . . ?
 O9 P1 H1 107.9 . . ?
 O9 P1 O19 113.6(7) . . ?
 O14 P1 Tb1 63.2(7) . . ?
 O14 P1 H1 111.6 . . ?
 O14 P1 O9 113.0(8) . . ?
 O14 P1 O19 102.8(8) . . ?
 O19 P1 Tb1 43.3(5) . . ?
 O19 P1 H1 107.9 . . ?
 O26 P1 Tb1 139.0(13) . . ?
 O26 P1 H1 10.0 . . ?
 O26 P1 O9 108.2(14) . . ?
 O26 P1 O14 102.9(17) . . ?
 O26 P1 O19 115.8(15) . . ?
 Tb1 P2 H2 136.9 . . ?
 O11 P2 Tb1 114.2(6) . . ?
 O11 P2 H2 108.9 . . ?
 O17 P2 Tb1 51.8(7) . . ?
 O17 P2 H2 110.1 . . ?
 O17 P2 O11 114.3(9) . . ?
 O17 P2 O18 101.7(9) . . ?
 O18 P2 Tb1 52.3(6) . . ?
 O18 P2 H2 111.1 . . ?
 O18 P2 O11 110.6(8) . . ?
 O27 P2 Tb1 137.9(11) . . ?
 O27 P2 H2 5.5 . . ?
 O27 P2 O11 107.5(13) . . ?
 O27 P2 O17 115.2(15) . . ?
 O27 P2 O18 107.2(14) . . ?
 O13 P3 H3 109.8 . . ?
 O13 P3 O15 114.9(8) . . ?
 O15 P3 H3 109.0 . . ?
 O16 P3 H3 111.5 . . ?
 O16 P3 O13 111.2(9) . . ?
 O16 P3 O15 100.1(9) . . ?
 O28 P3 H3 2.9 . . ?
 O28 P3 O13 109(3) . . ?
 O28 P3 O15 112(3) . . ?
 O28 P3 O16 110(3) . . ?
 O29 P4 H4 107.5 6_556 . ?
 O29 P4 H4 107.5 . . ?
 O29 P4 O29 103.7(10) . 6_556 ?
 O29 P4 O32 115.8(6) 6_556 . ?
 O29 P4 O32 115.8(6) . . ?
 O32 P4 H4 106.1 . . ?
 O30 P5 H5 105.6 . . ?
 O30 P5 H5 105.6 6_556 . ?
 O30 P5 O30 106.6(17) . 6_556 ?
 O33 P5 H5 108.9 . . ?
 O33 P5 O30 114.7(17) . . ?
 O33 P5 O30 114.7(17) . 6_556 ?
 O30 P6 H6 105.9 6_556 . ?
 O30 P6 H6 105.9 . . ?
 O30 P6 O30 107(2) . 6_556 ?
 O33 P6 H6 108.5 . . ?
 O33 P6 O30 114.2(19) . 6_556 ?
 O33 P6 O30 114.2(19) . . ?
 O31 P7 H7 105.4 . . ?
 O31 P7 H7 105.4 6_556 . ?
 O31 P7 O31 105(3) 6_556 . ?
 O31 P7 O34 118(2) 6_556 . ?
 O31 P7 O34 118(2) . . ?
 O34 P7 H7 102.8 . . ?
 O31 P8 H8 110.3 . . ?
 O31 P8 H8 110.3 6_556 . ?
 O31 P8 O31 102(2) . 6_556 ?
 O31 P8 O34 113(2) 6_556 . ?
 O31 P8 O34 113(2) . . ?
 O34 P8 H8 108.0 . . ?
 Mo2 O1 Mo1 81.8(6) . . ?
 Mo3 O2 Mo2 82.7(5) . . ?
 Mo1 O3 Mo3 81.1(6) . . ?
 Mo4 O4 Mo5 79(2) . . ?
 Mo6 O5 Mo4 76.6(8) . . ?
 Mo5 O6 Mo6 78(3) . . ?
 Mo1 O7 Tb1 135.3(5) . . ?
 Mo1 O7 Mo4 43.0(4) . . ?
 Mo2 O7 Tb1 134.0(5) . . ?
 Mo2 O7 Mo1 75.7(4) . . ?
 Mo2 O7 Mo4 90.8(5) . . ?
 Mo2 O7 Mo5 46.5(4) . . ?
 Mo2 O7 Mo6 41.9(4) . . ?
 Mo3 O7 Tb1 135.8(5) . . ?
 Mo3 O7 Mo1 74.8(4) . . ?
 Mo3 O7 Mo2 75.8(3) . . ?
 Mo3 O7 Mo4 39.6(4) . . ?
 Mo3 O7 Mo5 86.8(5) . . ?
 Mo3 O7 Mo6 39.1(4) . . ?
 Mo4 O7 Tb1 135.2(6) . . ?
 Mo5 O7 Tb1 137.1(6) . . ?
 Mo5 O7 Mo1 34.5(4) . . ?
 Mo5 O7 Mo4 70.8(6) . . ?
 Mo6 O7 Tb1 138.0(6) . . ?
 Mo6 O7 Mo1 86.7(4) . . ?
 Mo6 O7 Mo4 71.5(5) . . ?
 Mo6 O7 Mo5 75.6(5) . . ?
 Mo1 O8 Mo4 43.2(5) . . ?
 Mo7 O8 Mo1 150.2(7) . . ?
 Mo7 O8 Mo4 139.1(8) . . ?
 Mo5 O9 Mo1 34.1(4) . . ?
 P1 O9 Mo1 124.6(7) . . ?
 P1 O9 Mo5 126.0(7) . . ?
 Mo2 O10 Mo5 43.1(4) . . ?
 Mo8 O10 Mo2 146.8(7) . . ?
 Mo8 O10 Mo5 139.1(7) . . ?
 Mo2 O11 Mo6 39.4(4) . . ?
 P2 O11 Mo2 125.7(7) . . ?
 P2 O11 Mo6 121.4(8) . . ?
 Mo3 O12 Mo6 38.1(4) . . ?
 Mo9 O12 Mo3 147.2(7) . . ?
 Mo9 O12 Mo6 145.5(8) . . ?
 Mo4 O13 Mo3 39.5(4) . . ?
 P3 O13 Mo3 121.9(8) . . ?
 P3 O13 Mo4 122.1(8) . . ?
 P1 O14 Mo7 138.0(9) . . ?
 Mo7 O15 Tb1 121.5(6) . . ?
 P3 O15 Tb1 106.2(7) . . ?
 P3 O15 Mo7 126.3(7) . . ?
 Mo9 O16 Tb1 113.3(8) . . ?
 P3 O16 Tb1 96.7(8) . . ?
 P3 O16 Mo9 134.5(9) . . ?
 Mo9 O17 Tb1 116.8(8) . . ?
 P2 O17 Tb1 100.2(7) . . ?
 P2 O17 Mo9 133.1(9) . . ?
 Mo8 O18 Tb1 111.2(6) . . ?
 P2 O18 Tb1 99.3(8) . . ?
 P2 O18 Mo8 133.4(7) . . ?
 Mo8 O19 Tb1 114.4(5) . . ?
 P1 O19 Tb1 111.3(7) . . ?
 P1 O19 Mo8 126.4(7) . . ?
 P1 O26 H1 68.2 . . ?
 P2 O27 H2 47.3 . . ?
 P3 O28 H3 45.5 . . ?
 P4 O29 Mo7 139.0(8) . . ?
 P5 O30 Mo8 140.4(9) . . ?
 P6 O30 Mo8 139.0(12) . . ?
 P7 O31 Mo9 140.6(12) . . ?
 P8 O31 Mo9 136.0(14) . . ?
 Tb1 O32 Tb1 96.2(5) 6_556 . ?
 P4 O32 Tb1 129.5(4) . . ?
 P4 O32 Tb1 129.5(4) . 6_556 ?
 Tb1 O33 Tb1 97.6(6) 6_556 . ?
 P5 O33 Tb1 128.7(6) . . ?
 P6 O33 Tb1 129.3(6) . . ?
 P6 O33 Tb1 129.3(6) . 6_556 ?
 Tb1 O34 Tb1 98.5(6) . 6_556 ?
 P7 O34 Tb1 129.2(7) . . ?
 P7 O34 Tb1 129.2(7) . 6_556 ?
 P8 O34 Tb1 128.1(6) . . ?
 C11 N1 Mo3 121.3(12) . . ?
 C11 N1 C15 117.5(16) . . ?
 C15 N1 Mo3 121.2(13) . . ?
 C6 N2 Mo2 120.3(11) . . ?
 C6 N2 C10 118.1(16) . . ?
 C10 N2 Mo2 121.3(13) . . ?
 C1 N3 Mo1 121.7(11) . . ?
 C1 N3 C5 118.1(15) . . ?
 C5 N3 Mo1 120.1(12) . . ?
 C1A N4 Mo4 123(6) . . ?
 C1A N4 C16 121(3) . . ?
 C16 N4 Mo4 114(6) . . ?
 C21 N5 Mo5 125(3) . . ?
 C25 N5 Mo5 115(3) . . ?
 C25 N5 C21 120(3) . . ?
 C26 N6 Mo6 118(5) . . ?
 C26 N6 C30 120(3) . . ?
 C30 N6 Mo6 121(5) . . ?
 N3 C1 H1A 118.6 . . ?
 N3 C1 C2 122.7(15) . . ?
 C2 C1 H1A 118.6 . . ?
 N4 C1A H1AA 119.9 . . ?
 N4 C1A C19 120(2) . . ?
 C19 C1A H1AA 119.9 . . ?
 C1 C2 H2A 120.5 . . ?
 C3 C2 C1 119.0(15) . . ?
 C3 C2 H2A 120.5 . . ?
 C2 C3 H3A 120.1 . . ?
 C2 C3 C4 119.7(14) . . ?
 C4 C3 H3A 120.1 . . ?
 C3 C4 H4A 120.6 . . ?
 C3 C4 C5 118.8(14) . . ?
 C5 C4 H4A 120.6 . . ?
 N3 C5 C4 121.3(15) . . ?
 N3 C5 H5A 119.3 . . ?
 C4 C5 H5A 119.3 . . ?
 N2 C6 H6A 118.3 . . ?
 N2 C6 C7 123.3(15) . . ?
 C7 C6 H6A 118.3 . . ?
 C6 C7 H7A 121.2 . . ?
 C8 C7 C6 117.7(15) . . ?
 C8 C7 H7A 121.2 . . ?
 C7 C8 H8A 120.1 . . ?
 C9 C8 C7 119.8(15) . . ?
 C9 C8 H8A 120.1 . . ?
 C8 C9 H9 120.1 . . ?
 C8 C9 C10 119.7(15) . . ?
 C10 C9 H9 120.1 . . ?
 N2 C10 C9 121.4(16) . . ?
 N2 C10 H10 119.3 . . ?
 C9 C10 H10 119.3 . . ?
 N1 C11 H11 119.1 . . ?
 N1 C11 C12 121.8(15) . . ?
 C12 C11 H11 119.1 . . ?
 C11 C12 H12 119.8 . . ?
 C13 C12 C11 120.3(15) . . ?
 C13 C12 H12 119.9 . . ?
 C12 C13 H13 120.5 . . ?
 C12 C13 C14 119.0(14) . . ?
 C14 C13 H13 120.5 . . ?
 C13 C14 H14 120.7 . . ?
 C13 C14 C15 118.5(14) . . ?
 C15 C14 H14 120.7 . . ?
 N1 C15 C14 123.0(16) . . ?
 N1 C15 H15 118.5 . . ?
 C14 C15 H15 118.5 . . ?
 N4 C16 H16 119.9 . . ?
 N4 C16 C17 120(2) . . ?
 C17 C16 H16 119.9 . . ?
 C16 C17 H17 120.5 . . ?
 C18 C17 C16 119.1(18) . . ?
 C18 C17 H17 120.5 . . ?
 C17 C18 H18 119.8 . . ?
 C19 C18 C17 120.4(18) . . ?
 C19 C18 H18 119.8 . . ?
 C1A C19 H19 120.4 . . ?
 C18 C19 C1A 119.2(18) . . ?
 C18 C19 H19 120.4 . . ?
 N5 C21 H21 119.6 . . ?
 N5 C21 C22 121(2) . . ?
 C22 C21 H21 119.6 . . ?
 C21 C22 H22 120.5 . . ?
 C23 C22 C21 119.1(16) . . ?
 C23 C22 H22 120.5 . . ?
 C22 C23 H23 119.9 . . ?
 C22 C23 C24 120.2(16) . . ?
 C24 C23 H23 119.9 . . ?
 C23 C24 H24 120.6 . . ?
 C23 C24 C25 118.7(16) . . ?
 C25 C24 H24 120.6 . . ?
 N5 C25 C24 121(2) . . ?
 N5 C25 H25 119.4 . . ?
 C24 C25 H25 119.4 . . ?
 N6 C26 H26 119.6 . . ?
 N6 C26 C27 121(2) . . ?
 C27 C26 H26 119.6 . . ?
 C26 C27 H27 120.5 . . ?
 C28 C27 C26 118.9(18) . . ?
 C28 C27 H27 120.5 . . ?
 C27 C28 H28 119.7 . . ?
 C27 C28 C29 120.6(18) . . ?
 C29 C28 H28 119.7 . . ?
 C28 C29 H29 120.6 . . ?
 C28 C29 C30 118.8(18) . . ?
 C30 C29 H29 120.6 . . ?
 N6 C30 C29 121(2) . . ?
 N6 C30 H30 119.7 . . ?
 C29 C30 H30 119.7 . . ?
 H35A O35 H35B 121.0 . . ?
 H35A O35 H35C 116.2 . . ?
 H35B O35 H35C 117.0 . . ?
 H36A O36 H36B 108.5 . . ?
 H37A O37 H37B 104.5 . . ?
 H38A O38 H38B 104.5 . . ?
 H39A O39 H39B 104.5 . . ?
 H40A O40 H40B 104.5 . . ?
 H41A O41 H41B 104.4 . . ?
 H41A O41 H41C 120.8 . . ?
 H41B O41 H41C 129.6 . . ?
 O48 O41 H41A 104.8 2_665 . ?
 O48 O41 H41B 148.2 2_665 . ?
 O48 O41 H41C 36.3 2_665 . ?
 H41C O48 H41C 74.9 . 2_665 ?
 H41C O48 H48A 122.1 . . ?
 H41C O48 H42A 145.5 . . ?
 H41C O48 H42B 148.4 . . ?
 H48A O48 H41C 130.2 . 2_665 ?
 H48A O48 H42A 66.6 . . ?
 H48A O48 H42B 58.9 . . ?
 H42A O48 H41C 76.0 . 2_665 ?
 H42A O48 H42B 66.1 . . ?
 H42B O48 H41C 131.3 . 2_665 ?
 H48A O42 H42A 65.2 . . ?
 H48A O42 H42B 61.8 . . ?
 H48A O42 H42C 64.8 . . ?
 H42A O42 H42B 104.5 . . ?
 H42A O42 H42C 126.3 . . ?
 H42B O42 H42C 67.1 . . ?
 H43A O43 H43B 109.0 . . ?
 H44A O44 H44B 104.5 . . ?
 H45A O45 H45A 19.6 . 6_556 ?
 H45A O45 H45B 129.0 . 6_556 ?
 H45A O45 H45B 109.5 6_556 6_556 ?
 H45A O45 H45B 109.5 . . ?
 H45B O45 H45A 129.0 . 6_556 ?
 H45B O45 H45B 121.5 . 6_556 ?
 H46A O46 H46B 105.4 . . ?
 H7 O47 H47A 97.8 . . ?
 H7 O47 H47A 97.8 . 6_556 ?
 H7 O47 H47B 109.7 . 6_556 ?
 H7 O47 H47B 109.7 . . ?
 H47A O47 H47A 140.9 . 6_556 ?
 H47A O47 H47B 104.5 . . ?
 H47A O47 H47B 36.4 . 6_556 ?
 H47A O47 H47B 104.5 6_556 6_556 ?
 H47B O47 H47A 36.4 . 6_556 ?
 H47B O47 H47B 68.0 . 6_556 ?
 H45A O49 H49A 108.3 . . ?
 H45A O49 H49B 60.5 . . ?
 H49A O49 H49B 96.1 . . ?
 H50A O50 H50A 0.3 . 2_775 ?
 H50A O50 H50B 104.6 . . ?
 H50A O50 H50C 53.8 . . ?
 H50B O50 H50A 104.3 . 2_775 ?
 H50B O50 H50C 129.1 . . ?
 H50C O50 H50A 54.0 . 2_775 ?
 H51A O51 H51B 85.7 . . ?
 H51A O51 H51B 54.8 . 2_675 ?
 H51B O51 H51B 58.1 . 2_675 ?
 H52A O52 H52B 104.5 . . ?
 H53A O53 H38A 152.8 . 7_577 ?
 H53A O53 H53B 104.6 . . ?
 H53B O53 H38A 101.7 . 7_577 ?
 C31 N7 H7B 117.6 . . ?
 C31 N7 C35 125(3) . . ?
 C35 N7 H7B 117.6 . . ?
 N7 C31 H31 121.2 . . ?
 N7 C31 C32 118(2) . . ?
 C32 C31 H31 121.2 . . ?
 C31 C32 H32 120.6 . . ?
 C33 C32 C31 118.8(17) . . ?
 C33 C32 H32 120.6 . . ?
 C32 C33 H33 119.1 . . ?
 C32 C33 C34 121.8(17) . . ?
 C34 C33 H33 119.1 . . ?
 C33 C34 H34 120.8 . . ?
 C33 C34 C35 118.3(17) . . ?
 C35 C34 H34 120.8 . . ?
 N7 C35 C34 118(2) . . ?
 N7 C35 H35 120.9 . . ?
 C34 C35 H35 120.9 . . ?
 C36 N8 H8B 119.8 . . ?
 C40 N8 H8B 119.8 . . ?
 C40 N8 C36 120(3) . . ?
 N8 C36 H36 119.7 . . ?
 N8 C36 C37 121(2) . . ?
 C37 C36 H36 119.7 . . ?
 C36 C37 H37 120.5 . . ?
 C38 C37 C36 119.1(17) . . ?
 C38 C37 H37 120.5 . . ?
 C37 C38 H38 119.8 . . ?
 C37 C38 C39 120.4(18) . . ?
 C39 C38 H38 119.8 . . ?
 C38 C39 H39 120.8 . . ?
 C38 C39 C40 118.5(17) . . ?
 C40 C39 H39 120.8 . . ?
 N8 C40 C39 121(2) . . ?
 N8 C40 H40 119.4 . . ?
 C39 C40 H40 119.4 . . ?
 C41 N9 H9A 119.6 . . ?
 C45 N9 H9A 119.6 . . ?
 C45 N9 C41 121(3) . . ?
 N9 C41 H41 120.0 . . ?
 N9 C41 C42 120(2) . . ?
 C42 C41 H41 120.0 . . ?
 C41 C42 H42 120.4 . . ?
 C43 C42 C41 119.2(18) . . ?
 C43 C42 H42 120.4 . . ?
 C42 C43 H43 119.5 . . ?
 C44 C43 C42 120.9(18) . . ?
 C44 C43 H43 119.5 . . ?
 C43 C44 H44 120.9 . . ?
 C43 C44 C45 118.2(17) . . ?
 C45 C44 H44 120.9 . . ?
 N9 C45 C44 121(2) . . ?
 N9 C45 H45 119.6 . . ?
 C44 C45 H45 119.6 . . ?
 C46 N10 H10A 120.0 . . ?
 C46 N10 C50 120(3) . . ?
 C50 N10 H10A 120.0 . . ?
 N10 C46 H46 119.5 . . ?
 N10 C46 C47 121(2) . . ?
 C47 C46 H46 119.5 . . ?
 C46 C47 H47 120.8 . . ?
 C48 C47 C46 118.5(17) . . ?
 C48 C47 H47 120.8 . . ?
 C47 C48 H48 119.5 . . ?
 C47 C48 C49 120.9(18) . . ?
 C49 C48 H48 119.5 . . ?
 C48 C49 H49 120.6 . . ?
 C48 C49 C50 118.9(17) . . ?
 C50 C49 H49 120.6 . . ?
 N10 C50 C49 120(2) . . ?
 N10 C50 H50 119.8 . . ?
 C49 C50 H50 119.8 . . ?
 C51 N11 H11A 118.8 . . ?
 C51 N11 C55 122(3) . . ?
 C55 N11 H11A 118.8 . . ?
 N11 C51 H51 120.3 . . ?
 N11 C51 C52 119(2) . . ?
 C52 C51 H51 120.3 . . ?
 C51 C52 H52 120.7 . . ?
 C53 C52 C51 118.6(17) . . ?
 C53 C52 H52 120.7 . . ?
 C52 C53 H53 119.3 . . ?
 C52 C53 C54 121.4(18) . . ?
 C54 C53 H53 119.3 . . ?
 C53 C54 H54 120.7 . . ?
 C53 C54 C55 118.6(18) . . ?
 C55 C54 H54 120.7 . . ?
 N11 C55 C54 119(2) . . ?
 N11 C55 H55 120.5 . . ?
 C54 C55 H55 120.5 . . ?
 C56 N12 H12A 120.0 . . ?
 C56 N12 C60 120(3) . . ?
 C60 N12 H12A 120.0 . . ?
 N12 C56 H56 119.4 . . ?
 N12 C56 C57 121(2) . . ?
 C57 C56 H56 119.4 . . ?
 C56 C57 H57 120.7 . . ?
 C58 C57 C56 118.5(18) . . ?
 C58 C57 H57 120.7 . . ?
 C57 C58 H58 119.7 . . ?
 C59 C58 C57 120.5(18) . . ?
 C59 C58 H58 119.7 . . ?
 C58 C59 H59 120.4 . . ?
 C58 C59 C60 119.3(18) . . ?
 C60 C59 H59 120.4 . . ?
 N12 C60 C59 120(2) . . ?
 N12 C60 H60 119.8 . . ?
 C59 C60 H60 119.8 . . ?

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
 Tb1 P1 O9 Mo1 22.4(10) . . . . ?
 Tb1 P1 O9 Mo5 -19.6(12) . . . . ?
 Tb1 P1 O14 Mo7 -110.9(16) . . . . ?
 Tb1 P1 O19 Mo8 147.1(11) . . . . ?
 Tb1 P2 O11 Mo2 16.1(13) . . . . ?
 Tb1 P2 O11 Mo6 -31.3(11) . . . . ?
 Tb1 P2 O17 Mo9 142.7(17) . . . . ?
 Tb1 P2 O18 Mo8 -131.3(13) . . . . ?
 Mo1 Mo3 O2 Mo2 44.6(5) . . . . ?
 Mo1 N3 C1 C2 -179.3(15) . . . . ?
 Mo1 N3 C5 C4 -177.9(18) . . . . ?
 Mo2 N2 C6 C7 173.7(14) . . . . ?
 Mo2 N2 C10 C9 -175.8(19) . . . . ?
 Mo3 N1 C11 C12 176.3(15) . . . . ?
 Mo3 N1 C15 C14 -176(2) . . . . ?
 Mo4 Mo5 O6 Mo6 -43(2) . . . . ?
 Mo4 N4 C1A C19 164(7) . . . . ?
 Mo4 N4 C16 C17 -165(7) . . . . ?
 Mo5 N5 C21 C22 -172(5) . . . . ?
 Mo5 N5 C25 C24 172(6) . . . . ?
 Mo6 N6 C26 C27 -171(7) . . . . ?
 Mo6 N6 C30 C29 169(8) . . . . ?
 O3 Mo3 O2 Mo2 94.1(6) . . . . ?
 O4 Mo5 O6 Mo6 -94(2) . . . . ?
 O7 Mo3 O2 Mo2 -8.7(6) . . . . ?
 O7 Mo5 O6 Mo6 15(3) . . . . ?
 O9 Mo5 O6 Mo6 156(5) . . . . ?
 O9 P1 O14 Mo7 -6.1(19) . . . . ?
 O9 P1 O19 Tb1 -98.7(8) . . . . ?
 O9 P1 O19 Mo8 48.4(11) . . . . ?
 O10 Mo5 O6 Mo6 95(2) . . . . ?
 O11 P2 O17 Tb1 -102.5(7) . . . . ?
 O11 P2 O17 Mo9 40.2(17) . . . . ?
 O11 P2 O18 Tb1 105.2(8) . . . . ?
 O11 P2 O18 Mo8 -26.1(15) . . . . ?
 O12 Mo3 O2 Mo2 -100.0(6) . . . . ?
 O13 Mo3 O2 Mo2 -154(3) . . . . ?
 O13 P3 O15 Tb1 -104.1(8) . . . . ?
 O13 P3 O15 Mo7 48.6(12) . . . . ?
 O13 P3 O16 Tb1 108.6(7) . . . . ?
 O13 P3 O16 Mo9 -23.8(18) . . . . ?
 O14 Mo7 O8 Mo1 20.8(16) . . . . ?
 O14 Mo7 O8 Mo4 97.8(12) . . . . ?
 O14 P1 O9 Mo1 -47.0(12) . . . . ?
 O14 P1 O9 Mo5 -89.0(13) . . . . ?
 O14 P1 O19 Tb1 23.8(9) . . . . ?
 O14 P1 O19 Mo8 170.9(9) . . . . ?
 O15 Mo7 O8 Mo1 -55.0(16) . . . . ?
 O15 Mo7 O8 Mo4 21.9(11) . . . . ?
 O15 P3 O13 Mo3 69.0(12) . . . . ?
 O15 P3 O13 Mo4 22.0(14) . . . . ?
 O15 P3 O16 Tb1 -13.2(7) . . . . ?
 O15 P3 O16 Mo9 -145.7(13) . . . . ?
 O16 Mo9 O12 Mo3 4.3(16) . . . . ?
 O16 Mo9 O12 Mo6 76.4(15) . . . . ?
 O16 P3 O13 Mo3 -43.8(13) . . . . ?
 O16 P3 O13 Mo4 -90.7(12) . . . . ?
 O16 P3 O15 Tb1 15.1(9) . . . . ?
 O16 P3 O15 Mo7 167.7(9) . . . . ?
 O17 Mo9 O12 Mo3 -67.0(16) . . . . ?
 O17 Mo9 O12 Mo6 5.1(15) . . . . ?
 O17 P2 O11 Mo2 73.4(13) . . . . ?
 O17 P2 O11 Mo6 25.9(13) . . . . ?
 O17 P2 O18 Tb1 -16.6(8) . . . . ?
 O17 P2 O18 Mo8 -147.9(11) . . . . ?
 O18 Mo8 O10 Mo2 7.9(13) . . . . ?
 O18 Mo8 O10 Mo5 82.1(11) . . . . ?
 O18 P2 O11 Mo2 -40.7(14) . . . . ?
 O18 P2 O11 Mo6 -88.1(11) . . . . ?
 O18 P2 O17 Tb1 16.7(8) . . . . ?
 O18 P2 O17 Mo9 159.4(12) . . . . ?
 O19 Mo8 O10 Mo2 -63.9(13) . . . . ?
 O19 Mo8 O10 Mo5 10.3(11) . . . . ?
 O19 P1 O9 Mo1 69.6(11) . . . . ?
 O19 P1 O9 Mo5 27.6(13) . . . . ?
 O19 P1 O14 Mo7 -128.9(15) . . . . ?
 O20 Mo7 O8 Mo1 110.8(16) . . . . ?
 O20 Mo7 O8 Mo4 -172.3(12) . . . . ?
 O21 Mo7 O8 Mo1 -141.7(16) . . . . ?
 O21 Mo7 O8 Mo4 -64.7(13) . . . . ?
 O22 Mo9 O12 Mo3 95.7(16) . . . . ?
 O22 Mo9 O12 Mo6 167.8(15) . . . . ?
 O23 Mo9 O12 Mo3 -155.8(16) . . . . ?
 O23 Mo9 O12 Mo6 -83.7(16) . . . . ?
 O24 Mo8 O10 Mo2 98.5(14) . . . . ?
 O24 Mo8 O10 Mo5 172.7(12) . . . . ?
 O25 Mo8 O10 Mo2 -152.4(13) . . . . ?
 O25 Mo8 O10 Mo5 -78.2(12) . . . . ?
 O26 P1 O9 Mo1 -160.3(17) . . . . ?
 O26 P1 O9 Mo5 157.7(18) . . . . ?
 O26 P1 O14 Mo7 110.4(19) . . . . ?
 O26 P1 O19 Tb1 135.2(17) . . . . ?
 O26 P1 O19 Mo8 -77.7(18) . . . . ?
 O27 P2 O11 Mo2 -157.4(16) . . . . ?
 O27 P2 O11 Mo6 155.2(16) . . . . ?
 O27 P2 O17 Tb1 132.3(14) . . . . ?
 O27 P2 O17 Mo9 -85.1(18) . . . . ?
 O27 P2 O18 Tb1 -137.9(13) . . . . ?
 O27 P2 O18 Mo8 90.8(16) . . . . ?
 O28 P3 O13 Mo3 -165(3) . . . . ?
 O28 P3 O13 Mo4 148(3) . . . . ?
 O28 P3 O15 Tb1 131(3) . . . . ?
 O28 P3 O15 Mo7 -76(3) . . . . ?
 O28 P3 O16 Tb1 -131(3) . . . . ?
 O28 P3 O16 Mo9 97(3) . . . . ?
 O29 Mo7 O8 Mo1 -16(3) . . . . ?
 O29 Mo7 O8 Mo4 61(2) . . . . ?
 O29 P4 O29 Mo7 177.6(5) 6_556 . . . ?
 O29 P4 O32 Tb1 -44.5(14) . . . . ?
 O29 P4 O32 Tb1 44.5(14) 6_556 . . 6_556 ?
 O29 P4 O32 Tb1 166.1(9) . . . 6_556 ?
 O29 P4 O32 Tb1 -166.1(9) 6_556 . . . ?
 O30 Mo8 O10 Mo2 -26(2) . . . . ?
 O30 Mo8 O10 Mo5 48(2) . . . . ?
 O30 P5 O30 Mo8 173.9(6) 6_556 . . . ?
 O30 P5 O33 Tb1 -43(4) . . . . ?
 O30 P5 O33 Tb1 167.3(13) . . . 6_556 ?
 O30 P5 O33 Tb1 43(4) 6_556 . . 6_556 ?
 O30 P5 O33 Tb1 -167.3(13) 6_556 . . . ?
 O30 P6 O30 Mo8 -179.7(6) 6_556 . . . ?
 O30 P6 O33 Tb1 42(4) . . . . ?
 O30 P6 O33 Tb1 165.8(14) 6_556 . . . ?
 O30 P6 O33 Tb1 -165.8(14) . . . 6_556 ?
 O30 P6 O33 Tb1 -42(4) 6_556 . . 6_556 ?
 O31 Mo9 O12 Mo3 -35(3) . . . . ?
 O31 Mo9 O12 Mo6 38(3) . . . . ?
 O31 P7 O31 Mo9 172.6(7) 6_556 . . . ?
 O31 P7 O34 Tb1 -38(7) . . . . ?
 O31 P7 O34 Tb1 38(7) 6_556 . . 6_556 ?
 O31 P7 O34 Tb1 -166(2) 6_556 . . . ?
 O31 P7 O34 Tb1 166(2) . . . 6_556 ?
 O31 P8 O31 Mo9 178.3(6) 6_556 . . . ?
 O31 P8 O34 Tb1 -163.2(15) . . . 6_556 ?
 O31 P8 O34 Tb1 163.2(15) 6_556 . . . ?
 O31 P8 O34 Tb1 48(4) . . . . ?
 O31 P8 O34 Tb1 -48(4) 6_556 . . 6_556 ?
 O32 P4 O29 Mo7 49.7(17) . . . . ?
 O33 P5 O30 Mo8 46(4) . . . . ?
 O33 P6 O30 Mo8 -52(5) . . . . ?
 O34 P7 O31 Mo9 38(8) . . . . ?
 O34 P8 O31 Mo9 -60(4) . . . . ?
 N1 Mo3 O2 Mo2 175.3(6) . . . . ?
 N1 C11 C12 C13 0(2) . . . . ?
 N2 C6 C7 C8 1(2) . . . . ?
 N3 C1 C2 C3 1(2) . . . . ?
 N4 C1A C19 C18 1(7) . . . . ?
 N4 C16 C17 C18 -2(7) . . . . ?
 N5 Mo5 O6 Mo6 -176(3) . . . . ?
 N5 C21 C22 C23 1(3) . . . . ?
 N6 C26 C27 C28 -1(3) . . . . ?
 C1 N3 C5 C4 5(3) . . . . ?
 C1 C2 C3 C4 -2(4) . . . . ?
 C1A N4 C16 C17 1(3) . . . . ?
 C2 C3 C4 C5 5(4) . . . . ?
 C3 C4 C5 N3 -6(4) . . . . ?
 C5 N3 C1 C2 -2.4(19) . . . . ?
 C6 N2 C10 C9 -3(3) . . . . ?
 C6 C7 C8 C9 -1(4) . . . . ?
 C7 C8 C9 C10 -1(5) . . . . ?
 C8 C9 C10 N2 3(4) . . . . ?
 C10 N2 C6 C7 0.7(19) . . . . ?
 C11 N1 C15 C14 1(4) . . . . ?
 C11 C12 C13 C14 1(3) . . . . ?
 C12 C13 C14 C15 -1(4) . . . . ?
 C13 C14 C15 N1 0(4) . . . . ?
 C15 N1 C11 C12 -1(2) . . . . ?
 C16 N4 C1A C19 0(3) . . . . ?
 C16 C17 C18 C19 2(9) . . . . ?
 C17 C18 C19 C1A -2(9) . . . . ?
 C21 N5 C25 C24 -1(6) . . . . ?
 C21 C22 C23 C24 -3(6) . . . . ?
 C22 C23 C24 C25 3(8) . . . . ?
 C23 C24 C25 N5 -1(8) . . . . ?
 C25 N5 C21 C22 1(3) . . . . ?
 C26 N6 C30 C29 -3(7) . . . . ?
 C26 C27 C28 C29 2(7) . . . . ?
 C27 C28 C29 C30 -4(9) . . . . ?
 C28 C29 C30 N6 4(9) . . . . ?
 C30 N6 C26 C27 1(3) . . . . ?
 N7 C31 C32 C33 1(3) . . . . ?
 C31 N7 C35 C34 5(5) . . . . ?
 C31 C32 C33 C34 -3(5) . . . . ?
 C32 C33 C34 C35 6(6) . . . . ?
 C33 C34 C35 N7 -6(6) . . . . ?
 C35 N7 C31 C32 -2(3) . . . . ?
 N8 C36 C37 C38 1(3) . . . . ?
 C36 N8 C40 C39 0(7) . . . . ?
 C36 C37 C38 C39 -1(7) . . . . ?
 C37 C38 C39 C40 1(8) . . . . ?
 C38 C39 C40 N8 0(8) . . . . ?
 C40 N8 C36 C37 0(3) . . . . ?
 N9 C41 C42 C43 -2(3) . . . . ?
 C41 N9 C45 C44 1(7) . . . . ?
 C41 C42 C43 C44 4(7) . . . . ?
 C42 C43 C44 C45 -3(9) . . . . ?
 C43 C44 C45 N9 1(9) . . . . ?
 C45 N9 C41 C42 -1(3) . . . . ?
 N10 C46 C47 C48 1(3) . . . . ?
 C46 N10 C50 C49 -3(6) . . . . ?
 C46 C47 C48 C49 -2(7) . . . . ?
 C47 C48 C49 C50 0(9) . . . . ?
 C48 C49 C50 N10 2(8) . . . . ?
 C50 N10 C46 C47 2(3) . . . . ?
 N11 C51 C52 C53 0(3) . . . . ?
 C51 N11 C55 C54 8(6) . . . . ?
 C51 C52 C53 C54 -2(6) . . . . ?
 C52 C53 C54 C55 7(8) . . . . ?
 C53 C54 C55 N11 -9(8) . . . . ?
 C55 N11 C51 C52 -3(3) . . . . ?
 N12 C56 C57 C58 -1(3) . . . . ?
 C56 N12 C60 C59 0(7) . . . . ?
 C56 C57 C58 C59 3(7) . . . . ?
 C57 C58 C59 C60 -3(9) . . . . ?
 C58 C59 C60 N12 1(9) . . . . ?
 C60 N12 C56 C57 -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  1.946
_oxdiff_exptl_absorpt_empirical_full_min  0.573
loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.9305(13)
 2 0.0695(13)

