# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh_165_mp_abs_gaus
_database_code_depnum_ccdc_archive 'CCDC 2300855'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2020-08-26
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H40 Ag2 As4 Mo8 O16 P4, 2(Al C16 F36 O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C90 H44 Ag2 Al2 As4 Cl4 F72 Mo8 O24 P4'
_chemical_formula_weight         4479.83
_chemical_melting_point          ?
_chemical_oxdiff_formula         C90H40Ag2Al2As4Cl4F73Mo8O25P4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.31430(10)
_cell_length_b                   59.1705(3)
_cell_length_c                   21.48980(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.0400(10)
_cell_angle_gamma                90
_cell_volume                     13113.11(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    39383
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      71.4870
_cell_measurement_theta_min      3.6260
_shelx_estimated_absorpt_T_max   0.256
_shelx_estimated_absorpt_T_min   0.039
_exptl_absorpt_coefficient_mu    12.401
_exptl_absorpt_correction_T_max  0.360
_exptl_absorpt_correction_T_min  0.034
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.76a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8560
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 34 6 0.0903
0 -34 -6 0.0749
6 20 0 0.3056
3 -28 -7 0.2002
-1 30 -8 0.0931
1 -31 8 0.0733
-1 38 -2 0.0964
-3 16 -11 0.1378
2 -27 9 0.1156
3 2 12 0.1549
-5 21 -4 0.2679
-6 14 -5 0.2868
6 4 7 0.2780
4 -32 1 0.1990
-6 20 2 0.2958
-4 20 9 0.2570
-6 -2 6 0.3660
2 -29 -9 0.1423
0 31 8 0.0827
1 26 10 0.0749
0 16 13 0.0939
1 15 -13 0.2017
-1 -25 -11 0.0748
0 -37 4 0.0908
-2 16 -12 0.0738
-2 -15 -12 0.0743
1 25 10 0.0917
1 -16 13 0.0475

_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.151
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0220 34.3419 6.2557 0.1841 -0.0471 0.9818
-0.1413 -34.4286 -6.1794 -0.1601 0.0414 -0.9862
5.6815 20.2300 0.4759 -0.7421 0.1755 0.6469
3.1027 -28.4345 -6.9178 -0.6131 0.1491 -0.7758
-0.7552 30.4962 -8.3004 -0.2097 -0.8692 0.4479
0.7412 -30.6778 8.2181 0.2089 0.8657 -0.4549
-0.5586 37.9967 -1.6725 -0.0176 -0.5705 0.8211
-2.8179 15.7255 -11.1783 -0.0252 -0.9989 -0.0388
2.2263 -27.1944 8.6015 0.0253 0.9470 -0.3203
3.0270 1.9608 12.3016 0.0202 0.8717 0.4896
-5.2828 21.2280 -3.5415 0.5496 -0.7998 0.2416
-5.7322 13.8201 -4.9518 0.5670 -0.8236 0.0151
5.6585 4.4205 7.0622 -0.5022 0.7263 0.4693
3.8108 -31.5215 0.6038 -0.4480 0.6547 -0.6088
-5.6195 20.1257 2.2452 0.7903 -0.4849 0.3747
-4.0774 19.7874 8.5698 0.8037 -0.0221 0.5946
-6.0178 -2.3807 6.2786 0.9987 -0.0252 -0.0439
1.6145 -29.0575 -8.5453 -0.4737 -0.0352 -0.8800
0.3144 31.4066 7.9960 0.2017 0.1071 0.9736
0.6290 26.2501 10.0760 0.2357 0.3047 0.9228
0.0415 15.7999 12.7104 0.4108 0.5337 0.7392
1.2944 15.1121 -12.5803 -0.6079 -0.7937 0.0231
-0.5482 -24.9231 -10.5323 -0.2629 -0.3402 -0.9029
0.0593 -36.9943 3.7509 0.1521 0.6420 -0.7515
-1.5070 15.7947 -12.2579 -0.2326 -0.9721 -0.0313
-1.8782 -14.9548 -12.1641 -0.1537 -0.6365 -0.7558
1.4272 24.8522 10.1580 0.1357 0.3792 0.9153
0.8022 -16.1885 12.5020 0.3330 0.9429 0.0092

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       72
_diffrn_reflns_limit_k_min       -60
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            80363
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.680
_diffrn_reflns_theta_min         3.628
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5096
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  43.00   0.50    5.00    --  -40.03  19.00 -60.00  140
  2  ω      9.00 116.00   0.50    5.00    --   40.03  57.00 -30.00  214
  3  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00 -60.00   84
  4  ω     80.00 178.00   0.50   30.00    --  104.85  77.00 150.00  196
  5  ω     20.00  80.00   0.50   30.00    --  104.85 -95.00  30.00  120
  6  ω     23.00 105.00   0.50   30.00    --  104.85 -77.00-150.00  164
  7  ω     71.00 178.00   0.50   30.00    --  104.85  30.00 -60.00  214
  8  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00  60.00   84
  9  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00  90.00   84
 10  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00  30.00   84
 11  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00 -90.00   84
 12  ω    -98.00 -22.00   0.50    5.00    --  -40.03 125.00  90.00  152
 13  ω      9.00 116.00   0.50    5.00    --   40.03  57.00-150.00  214
 14  ω     71.00 178.00   0.50   30.00    --  104.85  30.00  60.00  214
 15  ω     73.00 152.00   0.50   30.00    --  104.85  61.00-150.00  158
 16  ω     29.00  71.00   0.50   30.00    --  104.85 -61.00 150.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1302937000
_diffrn_orient_matrix_UB_12      -0.0008897000
_diffrn_orient_matrix_UB_13      0.0338471000
_diffrn_orient_matrix_UB_21      0.0673278000
_diffrn_orient_matrix_UB_22      -0.0115547000
_diffrn_orient_matrix_UB_23      0.0561357000
_diffrn_orient_matrix_UB_31      0.0284247000
_diffrn_orient_matrix_UB_32      0.0233077000
_diffrn_orient_matrix_UB_33      0.0290907000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22239
_reflns_number_total             25149
_reflns_odcompleteness_completeness 99.60
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.76a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.76a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.76a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.342
_refine_diff_density_min         -1.701
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2701
_refine_ls_number_reflns         25149
_refine_ls_number_restraints     1082
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0798P)²+22.9663P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1338
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C84B-C81 = C83C-C81
 1.55 with sigma of 0.02
 Cl4B-C90B \\sim Cl4A-C90A \\sim Cl3B-C90B \\sim Cl3A-C90A
 with sigma of 0.02
 F72A-C88A \\sim F70A-C88A \\sim F71A-C88A
 with sigma of 0.02
 C85-C88A \\sim C88B-C85 \\sim C85-C86A \\sim C86B-C85 \\sim C85-C87A \\sim
C87B-C85
 with sigma of 0.02
 F72B-C88B \\sim F70B-C88B \\sim F71B-C88B
 with sigma of 0.02
 F25A-C68A \\sim F27B-C68B \\sim F26B-C68B \\sim F25B-C68B \\sim F26A-C68A
\\sim F27A-C68A \\sim F19B-
 C66B \\sim F20-C66B \\sim F21-C66A \\sim F19A-C66A \\sim F22B-C67B \\sim
F24B-C67B \\sim F23B-C67B ~
 F22A-C67A \\sim F24A-C67A \\sim F23A-C67A
 with sigma of 0.04
 C76B-C73B \\sim C76A-C73A \\sim C74B-C73B \\sim C74A-C73A \\sim C75-C73A \\sim
C75-C73B
 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
F64A \\sim F65A \\sim C86A \\sim F66A: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.9A
O23A \\sim O23B \\sim O23C \\sim Al2: within 2.1A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 2.1A
F68B \\sim C87B \\sim F69B \\sim F67B: within 1.9A with sigma of 0.005 and
sigma for terminal atoms of 0.005 within 1.9A
F72A \\sim F70A \\sim F71A \\sim C88A: within 1.9A with sigma of 0.005 and
sigma for terminal atoms of 0.005 within 1.9A
C86A \\sim C86B \\sim C85 \\sim C87A \\sim C87B \\sim C88A \\sim C88B: within
1.9A with sigma of 0.005 and sigma for terminal atoms of 0.005 within 1.9A
F64B \\sim F65B \\sim C86B \\sim F66B: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.9A
F71B \\sim F72B \\sim C88B \\sim F70B: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.9A
C81 \\sim C84C \\sim C83B \\sim C83A \\sim C83C \\sim C82A \\sim C82B \\sim
C82C \\sim C84A \\sim C84B: within 1.9A with sigma of 0.02 and sigma for
terminal atoms of 0.02 within 1.9A
F67A \\sim C87A \\sim F68A \\sim F69A: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.9A
F58C \\sim F61B \\sim F58A \\sim C83B: within 1.9A with sigma of 0.02 and sigma
for terminal atoms of 0.02 within 1.9A
F60C \\sim F62B \\sim F60A \\sim C84C: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.9A
F56B \\sim F56A \\sim F56C: within 1.9A with sigma of 0.02 and sigma for
terminal atoms of 0.02 within 1.9A
F57B \\sim F62A: within 1.9A with sigma of 0.02 and sigma for terminal atoms of
0.02 within 1.9A
F40B \\sim F40A \\sim C75 \\sim F41A \\sim F41B: within 1.9A with sigma of 0.02
and sigma for terminal atoms of 0.04 within 1.9A
C4B \\sim C3B \\sim C5B \\sim C7B \\sim C6B \\sim C7A \\sim C3A: within 1.9A
with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.9A
F17B \\sim C64 \\sim F16B \\sim F16A \\sim F17A \\sim F18 \\sim C61: within
1.9A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.9A
C72B \\sim C72A \\sim C69: within 1.9A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.9A
F33B \\sim F33A \\sim C71A \\sim C71B \\sim F32B \\sim F32A: within 1.9A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.9A
F13A \\sim F13B \\sim C63A \\sim F15A \\sim C63B \\sim F14A \\sim F14B \\sim
F15B \\sim C61: within 1.9A with sigma of 0.02 and sigma for terminal atoms of
0.02 within 1.9A
F11A \\sim F11B \\sim C62A \\sim C62B \\sim F10A \\sim F10B \\sim F12A \\sim
F12B: within 1.9A with sigma of 0.02 and sigma for terminal atoms of 0.02
within 1.9A
F26B \\sim F23A: within 1.9A with sigma of 0.02 and sigma for terminal atoms of
0.02 within 1.9A
F58B \\sim C83C \\sim F60B \\sim F59B: within 1.9A with sigma of 0.02 and sigma
for terminal atoms of 0.02 within 1.9A
Cl4B \\sim C90B \\sim Cl3B: within 1.9A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.9A
3. Others
 Fixed Sof: Cl4A(0.51) Cl3A(0.51) O18A(0.52) F12A(0.52) F13A(0.52) F32A(0.6)
 F36A(0.5) F16A(0.52) F35A(0.5) F10A(0.52) F33A(0.6) F17A(0.52) O2A(0.59)
 F14A(0.52) F11A(0.52) C6A(0.59) H6A(0.59) C90A(0.51) H90A(0.51) H90B(0.51)
 C2A(0.59) C5A(0.59) H5A(0.59) F15A(0.52) C72A(0.5) C71A(0.6) C7A(0.59)
 H7A(0.59) C63A(0.52) C4A(0.59) H4A(0.59) C62A(0.52) C3A(0.59) H3A(0.59)
 O2B(0.41) C2B(0.41) C6B(0.41) H6B(0.41) C5B(0.41) H5B(0.41) C4B(0.41)
 H4B(0.41) C3B(0.41) H3B(0.41) C7B(0.41) H7B(0.41) C68A(0.52) F26A(0.52)
 F27A(0.52) F25A(0.52) C67A(0.52) F22A(0.52) F23A(0.52) F24A(0.52) C66A(0.52)
 F19A(0.52) C67B(0.48) F23B(0.48) F24B(0.48) F22B(0.48) C68B(0.48) F25B(0.48)
 F26B(0.48) F27B(0.48) C66B(0.48) F19B(0.48) O18B(0.48) F16B(0.48) F17B(0.48)
 C63B(0.48) F14B(0.48) F15B(0.48) F13B(0.48) C62B(0.48) F12B(0.48) F10B(0.48)
 F11B(0.48) O24B(0.46) C86A(0.46) F64A(0.46) F66A(0.46) F65A(0.46) C87A(0.46)
 F69A(0.46) F68A(0.46) F67A(0.46) C88A(0.46) F72A(0.46) F71A(0.46) F70A(0.46)
 C86B(0.54) F66B(0.54) C87B(0.54) F69B(0.54) F68B(0.54) F67B(0.54) C88B(0.54)
 F72B(0.54) F71B(0.54) F70B(0.54) O24A(0.54) F64B(0.54) F65B(0.54) O23A(0.32)
 C84A(0.32) F63A(0.32) F61A(0.32) F62A(0.32) C82A(0.32) F57A(0.32) F56A(0.32)
 F55A(0.32) C83A(0.32) F59A(0.32) F58A(0.32) F60A(0.32) C73B(0.53) F40B(0.53)
 F42B(0.53) F41B(0.53) C76B(0.53) F43B(0.53) F45B(0.53) F44B(0.53) C74B(0.53)
 F37B(0.53) F39B(0.53) F38B(0.53) C73A(0.47) C76A(0.47) F45A(0.47) F44A(0.47)
 F43A(0.47) C74A(0.47) F38A(0.47) F37A(0.47) F39A(0.47) F41A(0.47) F40A(0.47)
 F42A(0.47) F34A(0.5) O23B(0.27) C84C(0.27) F62B(0.27) F61B(0.27) F63B(0.27)
 C82C(0.27) F56B(0.27) F57B(0.27) F55B(0.27) C83C(0.27) F58B(0.27) F60B(0.27)
 F59B(0.27) O23C(0.41) C84B(0.41) F63C(0.41) F61C(0.41) F62C(0.41) C82B(0.41)
 F57C(0.41) F56C(0.41) F55C(0.41) C83B(0.41) F59C(0.41) F58C(0.41) F60C(0.41)
 Cl3B(0.49) C90B(0.49) H90C(0.49) H90D(0.49) Cl4B(0.49) O20B(0.6) O20A(0.4)
 C72B(0.5) F35B(0.5) F34B(0.5) F36B(0.5) F32B(0.4) F33B(0.4) C71B(0.4)
4.a Secondary CH2 refined with riding coordinates:
 C89(H89A,H89B), C90A(H90A,H90B), C90B(H90C,H90D)
4.b Aromatic/amide H refined with riding coordinates:
 C28(H28), C27(H27), C49(H49), C42(H42), C24(H24), C31(H31), C33(H33),
 C11(H11), C41(H41), C47(H47), C38(H38), C56(H56), C46(H46), C48(H48), C19(H19),
  C21(H21), C14(H14), C34(H34), C55(H55), C35(H35), C45(H45), C25(H25),
 C10(H10), C52(H52), C40(H40), C32(H32), C39(H39), C18(H18), C12(H12), C13(H13),
  C53(H53), C17(H17), C20(H20), C26(H26), C6A(H6A), C54(H54), C5A(H5A),
 C7A(H7A), C4A(H4A), C3A(H3A), C6B(H6B), C5B(H5B), C4B(H4B), C3B(H3B), C7B(H7B)
;
_atom_sites_solution_hydrogens   geom
_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
Ag2 Ag 0.44616(4) 0.64076(2) 0.07458(2) 0.03106(9) Uani 1 1 d . . . . .
Mo7 Mo 0.53254(4) 0.68915(2) -0.07706(2) 0.02215(9) Uani 1 1 d . . . . .
Ag1 Ag 0.51716(4) 0.60976(2) 0.28161(2) 0.03030(9) Uani 1 1 d . . . . .
Mo5 Mo 0.55252(4) 0.60406(2) 0.48204(2) 0.02388(9) Uani 1 1 d . . . . .
Mo6 Mo 0.45513(4) 0.55886(2) 0.43056(2) 0.02420(9) Uani 1 1 d . . . . .
Mo8 Mo 0.46281(4) 0.64293(2) -0.13099(2) 0.02809(10) Uani 1 1 d . . . . .
Mo3 Mo 0.48845(4) 0.55874(2) 0.11436(2) 0.02916(10) Uani 1 1 d . . . . .
Mo1 Mo 0.51081(4) 0.69113(2) 0.24397(2) 0.02804(10) Uani 1 1 d . . . . .
Mo2 Mo 0.25250(4) 0.66688(2) 0.25714(2) 0.02980(10) Uani 1 1 d . . . . .
Mo4 Mo 0.73678(4) 0.58607(2) 0.10786(2) 0.02925(10) Uani 1 1 d . . . . .
As1 As 0.61015(6) 0.58499(2) 0.37515(2) 0.02582(12) Uani 1 1 d . . . . .
As2 As 0.39596(6) 0.59940(2) 0.38901(2) 0.02636(12) Uani 1 1 d . . . . .
As3 As 0.58660(6) 0.64919(2) -0.02876(2) 0.02722(12) Uani 1 1 d . . . . .
As4 As 0.36738(6) 0.66203(2) -0.03111(3) 0.02837(12) Uani 1 1 d . . . . .
P4 P 0.50378(14) 0.59949(2) 0.09204(6) 0.0285(3) Uani 1 1 d . . . . .
P2 P 0.40797(13) 0.66233(2) 0.17182(6) 0.0272(3) Uani 1 1 d . . . . .
P1 P 0.47832(15) 0.65055(2) 0.25803(6) 0.0297(3) Uani 1 1 d . . . . .
P3 P 0.56413(14) 0.59079(2) 0.18277(6) 0.0268(3) Uani 1 1 d . . . . .
Al2 Al -0.07002(14) 0.54191(2) -0.25226(6) 0.0207(3) Uani 1 1 d . U . . .
Al1 Al -0.09270(14) 0.78542(2) 0.08376(6) 0.0204(3) Uani 1 1 d . . . . .
Cl2 Cl 1.1016(2) 0.63919(5) 0.07216(10) 0.0791(7) Uani 1 1 d . . . . .
Cl1 Cl 0.9758(4) 0.62589(5) -0.04406(12) 0.0922(8) Uani 1 1 d . . . . .
Cl4A Cl 1.0449(7) 0.57698(10) 0.3340(3) 0.0644(14) Uani 0.51 1 d D . P A 1
Cl3A Cl 0.8992(5) 0.61846(9) 0.3257(3) 0.0605(12) Uani 0.51 1 d D . P A 1
F53 F -0.3188(4) 0.53088(7) -0.13221(15) 0.0428(8) Uani 1 1 d . . . . .
F51 F -0.4262(4) 0.54844(7) -0.34247(15) 0.0442(8) Uani 1 1 d . . . . .
F52 F -0.2949(4) 0.56464(6) -0.16532(19) 0.0493(9) Uani 1 1 d . . . . .
O22 O -0.2353(4) 0.54129(8) -0.26325(17) 0.0364(9) Uani 1 1 d . . . . .
O14 O 0.8283(4) 0.67942(8) -0.0982(2) 0.0423(10) Uani 1 1 d . . . . .
O5 O 0.5992(5) 0.53760(8) 0.2386(2) 0.0419(10) Uani 1 1 d . . . . .
O17 O -0.2564(4) 0.78106(8) 0.0890(2) 0.0433(10) Uani 1 1 d . . . . .
F54 F -0.4862(4) 0.55106(10) -0.15759(18) 0.0637(13) Uani 1 1 d . . . . .
F47 F -0.2879(6) 0.49989(7) -0.2226(2) 0.0727(15) Uani 1 1 d . . . . .
F49 F -0.4496(5) 0.57266(7) -0.2704(2) 0.0575(11) Uani 1 1 d . . . . .
O8 O 0.7841(5) 0.63821(8) 0.1154(3) 0.0505(12) Uani 1 1 d . . . . .
F29 F -0.1470(5) 0.73108(9) 0.0938(2) 0.0651(13) Uani 1 1 d . . . . .
O13 O 0.6003(5) 0.70140(8) 0.06133(19) 0.0422(10) Uani 1 1 d . . . . .
O12 O 0.3259(5) 0.54731(8) 0.3004(2) 0.0440(10) Uani 1 1 d . . . . .
O9 O 0.8361(4) 0.58535(9) 0.4958(2) 0.0477(11) Uani 1 1 d . . . . .
F50 F -0.5748(4) 0.54357(9) -0.2755(2) 0.0557(11) Uani 1 1 d . . . . .
F30 F -0.2299(5) 0.73423(9) 0.0044(3) 0.0703(13) Uani 1 1 d . . . . .
O7 O 0.6937(6) 0.58945(9) -0.0372(2) 0.0521(12) Uani 1 1 d . . . . .
F5 F -0.3600(5) 0.81841(8) 0.0101(2) 0.0662(13) Uani 1 1 d . . . . .
O11 O 0.1809(5) 0.57031(10) 0.4843(2) 0.0526(12) Uani 1 1 d . . . . .
F8 F -0.4279(4) 0.75620(7) 0.1439(3) 0.0632(13) Uani 1 1 d . . . . .
O10 O 0.6505(5) 0.64594(7) 0.4071(2) 0.0478(11) Uani 1 1 d . . . . .
O4 O 0.3344(5) 0.65770(10) 0.3965(2) 0.0529(12) Uani 1 1 d . . . . .
O3 O 0.1877(5) 0.61554(8) 0.2380(3) 0.0554(13) Uani 1 1 d . . . . .
O1 O 0.3760(5) 0.71934(9) 0.1368(3) 0.0547(13) Uani 1 1 d . . . . .
F9 F -0.5904(4) 0.77423(8) 0.1061(3) 0.0689(14) Uani 1 1 d . . . . .
F4 F -0.5300(5) 0.79825(13) 0.0010(3) 0.0861(19) Uani 1 1 d . . . . .
C37 C 0.3706(6) 0.55227(9) 0.3483(3) 0.0337(12) Uani 1 1 d . . . . .
O16 O 0.1846(6) 0.65976(10) -0.1674(3) 0.0647(15) Uani 1 1 d . . . . .
F28 F -0.0980(6) 0.70723(7) 0.0232(3) 0.0814(18) Uani 1 1 d . . . . .
F7 F -0.4718(5) 0.75398(9) 0.0465(3) 0.0759(15) Uani 1 1 d . . . . .
F3 F -0.5159(6) 0.81831(8) 0.1167(3) 0.0764(17) Uani 1 1 d . . . . .
O6 O 0.2251(5) 0.56776(11) 0.1796(3) 0.0622(14) Uani 1 1 d . . . . .
F2 F -0.3119(6) 0.82210(8) 0.1324(3) 0.0784(16) Uani 1 1 d . . . . .
F48 F -0.4169(6) 0.50564(8) -0.3010(2) 0.0729(15) Uani 1 1 d . . . . .
O18A O -0.0346(12) 0.78959(18) 0.1582(6) 0.029(2) Uani 0.52 1 d . . P B 1
F46 F -0.4902(6) 0.50742(9) -0.2077(3) 0.0775(16) Uani 1 1 d . . . . .
C43 C 0.5771(5) 0.69660(9) 0.0114(2) 0.0296(11) Uani 1 1 d . . . . .
F6 F -0.3466(7) 0.78455(12) -0.0245(2) 0.0873(18) Uani 1 1 d . . . . .
F12A F 0.212(4) 0.7970(6) 0.2130(11) 0.074(5) Uani 0.52 1 d . U P B 1
F1 F -0.4207(7) 0.79859(10) 0.1874(2) 0.0832(18) Uani 1 1 d . . . . .
C30 C 0.6170(6) 0.63022(10) 0.4334(3) 0.0366(12) Uani 1 1 d . . . . .
C44 C 0.7189(6) 0.68229(9) -0.0896(2) 0.0312(11) Uani 1 1 d . . . . .
C15 C 0.5599(6) 0.54549(9) 0.1937(3) 0.0336(12) Uani 1 1 d . . . . .
O15 O 0.3401(6) 0.60039(9) -0.0683(3) 0.0601(14) Uani 1 1 d . . . . .
C9 C 0.3052(6) 0.66092(11) 0.3464(3) 0.0370(13) Uani 1 1 d . . . . .
C23 C 0.7630(6) 0.61935(11) 0.1113(3) 0.0379(13) Uani 1 1 d . . . . .
C69 C -0.0101(6) 0.74483(9) 0.0150(3) 0.0310(11) Uani 1 1 d . U . . .
C28 C 0.8402(7) 0.55224(12) 0.1404(3) 0.0455(15) Uani 1 1 d . . . . .
H28 H 0.795200 0.538351 0.145054 0.055 Uiso 1 1 calc R U . . .
C51 C 0.2843(7) 0.65419(11) -0.1528(3) 0.0433(14) Uani 1 1 d . . . . .
C8 C 0.2145(6) 0.63421(11) 0.2462(3) 0.0412(14) Uani 1 1 d . . . . .
C77 C -0.3545(5) 0.53757(8) -0.2413(2) 0.0244(10) Uani 1 1 d . . . . .
C36 C 0.2811(6) 0.56665(11) 0.4631(3) 0.0390(13) Uani 1 1 d . . . . .
C1 C 0.4240(6) 0.70881(11) 0.1754(3) 0.0421(14) Uani 1 1 d . . . . .
C22 C 0.7076(6) 0.58832(10) 0.0156(3) 0.0380(13) Uani 1 1 d . . . . .
C27 C 0.8603(7) 0.56855(14) 0.1883(4) 0.0513(17) Uani 1 1 d . . . . .
H27 H 0.831015 0.567757 0.229889 0.062 Uiso 1 1 calc R U . . .
C49 C 0.4315(7) 0.70331(9) -0.1691(3) 0.0362(13) Uani 1 1 d . . . . .
H49 H 0.405260 0.693905 -0.202893 0.043 Uiso 1 1 calc R U . . .
C70 C -0.1204(7) 0.72880(11) 0.0349(3) 0.0429(14) Uani 1 1 d . . . . .
F13A F 0.0365(10) 0.79633(16) 0.3170(3) 0.0506(19) Uani 0.52 1 d . U P B 1
C42 C 0.5911(6) 0.54280(9) 0.5089(3) 0.0334(12) Uani 1 1 d . . . . .
H42 H 0.634597 0.551442 0.540172 0.040 Uiso 1 1 calc R U . . .
F32A F -0.0650(14) 0.7319(2) -0.0872(4) 0.085(3) Uani 0.6 1 d . U P B 1
C24 C 0.8967(7) 0.55978(14) 0.0851(4) 0.0556(19) Uani 1 1 d . . . . .
H24 H 0.896187 0.552029 0.046382 0.067 Uiso 1 1 calc R U . . .
C31 C 0.4632(7) 0.63182(11) 0.5430(3) 0.0425(14) Uani 1 1 d . . . . .
H31 H 0.450266 0.646538 0.526300 0.051 Uiso 1 1 calc R U . . .
C29 C 0.7328(6) 0.59163(10) 0.4884(3) 0.0331(12) Uani 1 1 d . . . . .
F36A F 0.2176(16) 0.7451(2) 0.0314(8) 0.057(3) Uani 0.5 1 d . . P B 1
C33 C 0.4295(6) 0.59496(11) 0.5708(3) 0.0378(13) Uani 1 1 d . . . . .
H33 H 0.389608 0.580659 0.576402 0.045 Uiso 1 1 calc R U . . .
C11 C 0.1532(7) 0.70251(12) 0.2377(4) 0.0496(17) Uani 1 1 d . . . . .
H11 H 0.199925 0.716237 0.233387 0.060 Uiso 1 1 calc R U . . .
C80 C -0.3647(6) 0.54617(11) -0.1729(3) 0.0350(12) Uani 1 1 d . . . . .
C16 C 0.3223(7) 0.56489(12) 0.1572(3) 0.0438(14) Uani 1 1 d . . . . .
C41 C 0.6407(6) 0.53698(9) 0.4500(3) 0.0335(12) Uani 1 1 d . . . . .
H41 H 0.722776 0.541391 0.434785 0.040 Uiso 1 1 calc R U . . .
C57 C -0.3794(5) 0.78827(9) 0.0830(3) 0.0290(11) Uani 1 1 d . . . . .
C47 C 0.5536(7) 0.72643(9) -0.1052(3) 0.0372(13) Uani 1 1 d . . . . .
H47 H 0.623500 0.735149 -0.088771 0.045 Uiso 1 1 calc R U . . .
C38 C 0.4663(7) 0.53354(11) 0.5129(3) 0.0442(15) Uani 1 1 d . . . . .
H38 H 0.410177 0.535051 0.547220 0.053 Uiso 1 1 calc R U . . .
C56 C 0.6665(7) 0.63523(12) -0.1731(3) 0.0479(16) Uani 1 1 d . . . . .
H56 H 0.743991 0.636256 -0.148668 0.057 Uiso 1 1 calc R U . . .
C46 C 0.4287(7) 0.72375(10) -0.0783(3) 0.0388(13) Uani 1 1 d . . . . .
H46 H 0.400705 0.730399 -0.040580 0.047 Uiso 1 1 calc R U . . .
C50 C 0.3834(7) 0.61637(11) -0.0905(3) 0.0446(15) Uani 1 1 d . . . . .
C48 C 0.5536(7) 0.71365(10) -0.1613(3) 0.0381(13) Uani 1 1 d . . . . .
H48 H 0.624264 0.712302 -0.188800 0.046 Uiso 1 1 calc R U . . .
C19 C 0.4599(9) 0.55145(13) 0.0072(3) 0.0555(19) Uani 1 1 d . . . . .
H19 H 0.457240 0.563320 -0.022535 0.067 Uiso 1 1 calc R U . . .
F16A F -0.0230(12) 0.74208(17) 0.2001(5) 0.063(2) Uani 0.52 1 d . U P C 1
C21 C 0.5323(8) 0.52332(12) 0.0711(3) 0.0521(17) Uani 1 1 d . . . . .
H21 H 0.587494 0.512886 0.092243 0.062 Uiso 1 1 calc R U . . .
C14 C 0.0409(6) 0.67323(13) 0.2803(4) 0.0489(16) Uani 1 1 d . . . . .
H14 H -0.000096 0.663673 0.309504 0.059 Uiso 1 1 calc R U . . .
F35A F 0.1329(13) 0.7150(2) -0.0150(9) 0.082(4) Uani 0.5 1 d . . P B 1
F10A F 0.1971(9) 0.76535(17) 0.2636(5) 0.058(2) Uani 0.52 1 d . U P B 1
C79 C -0.4538(6) 0.55071(11) -0.2828(3) 0.0342(12) Uani 1 1 d . . . . .
C34 C 0.5560(6) 0.60097(11) 0.5897(2) 0.0361(12) Uani 1 1 d . . . . .
H34 H 0.616983 0.591327 0.610023 0.043 Uiso 1 1 calc R U . . .
C55 C 0.6089(8) 0.65280(12) -0.2102(3) 0.0477(16) Uani 1 1 d . . . . .
H55 H 0.642377 0.667630 -0.215240 0.057 Uiso 1 1 calc R U . . .
C35 C 0.5770(7) 0.62388(11) 0.5733(3) 0.0411(14) Uani 1 1 d . . . . .
H35 H 0.653757 0.632353 0.581352 0.049 Uiso 1 1 calc R U . . .
C45 C 0.3544(6) 0.70940(10) -0.1178(3) 0.0358(12) Uani 1 1 d . . . . .
H45 H 0.267758 0.704669 -0.111022 0.043 Uiso 1 1 calc R U . . .
C25 C 0.9549(7) 0.58107(14) 0.0977(4) 0.057(2) Uani 1 1 d . . . . .
H25 H 1.000079 0.590178 0.068798 0.069 Uiso 1 1 calc R U . . .
F33A F -0.1116(12) 0.7657(2) -0.0634(5) 0.086(3) Uani 0.6 1 d . U P B 1
C10 C 0.1067(7) 0.69334(12) 0.2944(4) 0.0487(16) Uani 1 1 d . . . . .
H10 H 0.118344 0.699740 0.334626 0.058 Uiso 1 1 calc R U . . .
C52 C 0.5856(9) 0.61609(11) -0.1798(3) 0.0521(18) Uani 1 1 d . . . . .
H52 H 0.599840 0.601809 -0.160650 0.063 Uiso 1 1 calc R U . . .
C89 C 1.0104(8) 0.64828(17) 0.0052(4) 0.066(2) Uani 1 1 d . . . . .
H89A H 0.928419 0.655304 0.018640 0.079 Uiso 1 1 calc R U . . .
H89B H 1.060498 0.659836 -0.017403 0.079 Uiso 1 1 calc R U . . .
C40 C 0.5496(7) 0.52371(10) 0.4178(3) 0.0454(15) Uani 1 1 d . . . . .
H40 H 0.559416 0.517330 0.377552 0.055 Uiso 1 1 calc R U . . .
F17A F -0.0550(12) 0.75366(18) 0.2906(4) 0.060(2) Uani 0.52 1 d . U P C 1
C32 C 0.3726(7) 0.61406(12) 0.5418(3) 0.0421(14) Uani 1 1 d . . . . .
H32 H 0.287297 0.614789 0.524505 0.051 Uiso 1 1 calc R U . . .
C39 C 0.4377(8) 0.52147(10) 0.4568(4) 0.0525(18) Uani 1 1 d . . . . .
H39 H 0.360025 0.513498 0.447027 0.063 Uiso 1 1 calc R U . . .
C18 C 0.3516(9) 0.54295(15) 0.0405(4) 0.061(2) Uani 1 1 d . . . . .
H18 H 0.264744 0.548184 0.036830 0.073 Uiso 1 1 calc R U . . .
C59 C -0.4070(7) 0.79745(14) 0.0163(3) 0.0503(17) Uani 1 1 d . . . . .
C12 C 0.1176(7) 0.68758(13) 0.1890(4) 0.0489(16) Uani 1 1 d . . . . .
H12 H 0.137976 0.689288 0.146292 0.059 Uiso 1 1 calc R U . . .
C13 C 0.0456(7) 0.66952(13) 0.2154(4) 0.0486(16) Uani 1 1 d . . . . .
H13 H 0.007569 0.657202 0.193313 0.058 Uiso 1 1 calc R U . . .
O2A O 0.7567(8) 0.68368(15) 0.1641(4) 0.0486(19) Uani 0.59 1 d . . P D 1
C64 C -0.0782(8) 0.76084(14) 0.2370(3) 0.0525(16) Uani 1 1 d . U . . .
C53 C 0.4802(9) 0.62167(12) -0.2195(3) 0.0543(18) Uani 1 1 d . . . . .
H53 H 0.411204 0.611934 -0.231870 0.065 Uiso 1 1 calc R U . . .
F14A F -0.0011(13) 0.82032(18) 0.2436(6) 0.069(3) Uani 0.52 1 d . U P B 1
C17 C 0.3966(9) 0.52538(13) 0.0799(4) 0.060(2) Uani 1 1 d . . . . .
H17 H 0.345538 0.516581 0.107155 0.072 Uiso 1 1 calc R U . . .
C20 C 0.5725(9) 0.53913(12) 0.0263(3) 0.0549(18) Uani 1 1 d . . . . .
H20 H 0.658050 0.541158 0.011584 0.066 Uiso 1 1 calc R U . . .
C26 C 0.9334(7) 0.58632(15) 0.1611(4) 0.059(2) Uani 1 1 d . . . . .
H26 H 0.962922 0.599542 0.182031 0.071 Uiso 1 1 calc R U . . .
F11A F 0.1851(10) 0.7654(2) 0.1652(5) 0.077(3) Uani 0.52 1 d . U P B 1
C6A C 0.5656(13) 0.69625(18) 0.3480(5) 0.045(3) Uani 0.59 1 d . . P E 1
H6A H 0.574931 0.683564 0.374783 0.054 Uiso 0.59 1 calc R U P E 1
C90A C 1.0173(15) 0.6032(2) 0.3681(7) 0.050(4) Uani 0.51 1 d D . P A 1
H90A H 1.099224 0.611962 0.369683 0.060 Uiso 0.51 1 calc R U P A 1
H90B H 0.988130 0.601057 0.411338 0.060 Uiso 0.51 1 calc R U P A 1
C54 C 0.4963(9) 0.64450(13) -0.2376(3) 0.0526(18) Uani 1 1 d . . . . .
H54 H 0.439014 0.652759 -0.264165 0.063 Uiso 1 1 calc R U . . .
C2A C 0.6657(14) 0.68644(17) 0.1913(5) 0.032(2) Uani 0.59 1 d . . P D 1
C58 C -0.4078(9) 0.80725(13) 0.1301(4) 0.0552(19) Uani 1 1 d . . . . .
C5A C 0.4542(19) 0.7087(3) 0.3386(7) 0.047(4) Uani 0.59 1 d . . P E 1
H5A H 0.373499 0.706047 0.357979 0.056 Uiso 0.59 1 calc R U P E 1
F15A F -0.1536(10) 0.7999(2) 0.2748(5) 0.072(3) Uani 0.52 1 d . U P B 1
C60 C -0.4694(6) 0.76792(13) 0.0956(4) 0.0489(16) Uani 1 1 d . . . . .
C72A C 0.1136(19) 0.7309(3) 0.0283(8) 0.043(3) Uani 0.5 1 d . U P B 1
C71A C -0.021(3) 0.7487(5) -0.0557(18) 0.066(4) Uani 0.6 1 d . U P B 1
C7A C 0.6625(16) 0.7055(3) 0.3111(8) 0.048(3) Uani 0.59 1 d . U P E 1
H7A H 0.749225 0.700238 0.308437 0.058 Uiso 0.59 1 calc R U P E 1
C63A C -0.027(2) 0.7997(3) 0.2606(9) 0.057(3) Uani 0.52 1 d . U P B 1
C78 C -0.3879(8) 0.51216(11) -0.2435(4) 0.0521(17) Uani 1 1 d . . . . .
C4A C 0.4799(14) 0.72630(17) 0.2951(5) 0.047(3) Uani 0.59 1 d . . P E 1
H4A H 0.419770 0.737321 0.280381 0.056 Uiso 0.59 1 calc R U P E 1
C62A C 0.151(2) 0.7764(5) 0.2133(9) 0.061(4) Uani 0.52 1 d . U P B 1
C3A C 0.6075(14) 0.7244(2) 0.2782(6) 0.047(3) Uani 0.59 1 d . U P E 1
H3A H 0.651316 0.733890 0.249742 0.057 Uiso 0.59 1 calc R U P E 1
O2B O 0.3752(16) 0.7141(2) 0.3545(7) 0.060(3) Uani 0.41 1 d . . P E 2
C2B C 0.4164(18) 0.7041(3) 0.3150(13) 0.042(4) Uani 0.41 1 d . . P E 2
C6B C 0.693(2) 0.6949(4) 0.3111(10) 0.048(4) Uani 0.41 1 d . U P E 2
H6B H 0.682759 0.694026 0.354887 0.057 Uiso 0.41 1 calc R U P E 2
C5B C 0.6795(18) 0.7145(3) 0.2748(8) 0.043(3) Uani 0.41 1 d . U P E 2
H5B H 0.661082 0.729264 0.289896 0.052 Uiso 0.41 1 calc R U P E 2
C4B C 0.6987(13) 0.7085(2) 0.2113(6) 0.033(3) Uani 0.41 1 d . U P E 2
H4B H 0.692827 0.718508 0.176854 0.040 Uiso 0.41 1 calc R U P E 2
C3B C 0.7280(18) 0.6851(3) 0.2080(9) 0.036(3) Uani 0.41 1 d . U P E 2
H3B H 0.747175 0.676759 0.171598 0.043 Uiso 0.41 1 calc R U P E 2
C7B C 0.7230(14) 0.6764(3) 0.2713(9) 0.047(3) Uani 0.41 1 d . U P E 2
H7B H 0.737376 0.661183 0.283787 0.057 Uiso 0.41 1 calc R U P E 2
O19 O -0.0675(4) 0.81088(7) 0.0483(2) 0.0426(10) Uani 1 1 d . . . . .
C65 C 0.0183(6) 0.82612(9) 0.0280(3) 0.0336(12) Uani 1 1 d . . . . .
C68A C 0.0453(13) 0.8419(2) 0.0853(7) 0.053(4) Uani 0.52 1 d D . P F 1
F26A F 0.1252(16) 0.8333(3) 0.1279(7) 0.070(4) Uani 0.52 1 d D . P F 1
F27A F 0.0914(10) 0.86169(14) 0.0672(6) 0.064(3) Uani 0.52 1 d D . P F 1
F25A F -0.0655(11) 0.84561(19) 0.1131(6) 0.057(3) Uani 0.52 1 d D . P F 1
C67A C -0.0265(12) 0.8389(2) -0.0280(7) 0.047(3) Uani 0.52 1 d D . P F 1
F22A F -0.0750(12) 0.8254(2) -0.0712(5) 0.056(3) Uani 0.52 1 d D . P F 1
F23A F -0.118(2) 0.8539(5) -0.0100(12) 0.057(4) Uani 0.52 1 d D U P F 1
F24A F 0.0667(9) 0.85152(19) -0.0545(5) 0.061(3) Uani 0.52 1 d D . P F 1
C66A C 0.1597(11) 0.8149(2) 0.0147(6) 0.038(3) Uani 0.52 1 d D . P F 1
F19A F 0.1582(11) 0.80560(19) -0.0415(5) 0.052(3) Uani 0.52 1 d D . P F 1
F21 F 0.1845(4) 0.80046(9) 0.0585(3) 0.0661(14) Uani 1 1 d D . . . .
C67B C 0.0122(14) 0.8213(2) -0.0435(6) 0.047(3) Uani 0.48 1 d D . P F 2
F23B F -0.1042(14) 0.8152(3) -0.0636(6) 0.072(4) Uani 0.48 1 d D . P F 2
F24B F 0.0540(10) 0.8384(2) -0.0779(5) 0.057(2) Uani 0.48 1 d D . P F 2
F22B F 0.0905(15) 0.8040(2) -0.0552(6) 0.063(3) Uani 0.48 1 d D . P F 2
C68B C -0.0365(14) 0.8510(2) 0.0347(7) 0.043(3) Uani 0.48 1 d D . P F 2
F25B F 0.0533(10) 0.86677(15) 0.0212(7) 0.066(3) Uani 0.48 1 d D . P F 2
F26B F -0.145(2) 0.8548(7) 0.0025(15) 0.073(6) Uani 0.48 1 d D U P F 2
F27B F -0.0757(18) 0.8548(3) 0.0910(7) 0.080(5) Uani 0.48 1 d D . P F 2
C66B C 0.1505(14) 0.8242(3) 0.0547(7) 0.048(3) Uani 0.48 1 d D . P F 2
F20 F 0.2468(4) 0.83147(8) 0.0165(2) 0.0543(10) Uani 1 1 d D . . . .
F19B F 0.1640(15) 0.8347(4) 0.1095(7) 0.067(4) Uani 0.48 1 d D . P F 2
O18B O -0.0105(11) 0.7807(2) 0.1528(5) 0.025(2) Uani 0.48 1 d . . P B 2
C61 C 0.0011(6) 0.78138(11) 0.2147(2) 0.0341(12) Uani 1 1 d . U . . .
F16B F -0.0328(14) 0.7418(2) 0.2350(7) 0.077(3) Uani 0.48 1 d . U P C 2
F17B F -0.1124(12) 0.7647(3) 0.3017(5) 0.070(3) Uani 0.48 1 d . U P C 2
F18 F -0.1964(4) 0.76062(8) 0.2140(2) 0.0602(11) Uani 1 1 d . U . . .
C63B C -0.056(3) 0.8054(5) 0.2420(11) 0.067(4) Uani 0.48 1 d . U P B 2
F14B F -0.0064(15) 0.8206(2) 0.2079(7) 0.077(3) Uani 0.48 1 d . U P B 2
F15B F -0.1829(12) 0.8052(2) 0.2361(6) 0.072(3) Uani 0.48 1 d . U P B 2
F13B F -0.0173(15) 0.8074(3) 0.2999(6) 0.081(3) Uani 0.48 1 d . U P B 2
C62B C 0.138(2) 0.7773(5) 0.2344(9) 0.058(4) Uani 0.48 1 d . U P B 2
F12B F 0.215(3) 0.7948(6) 0.2277(10) 0.062(4) Uani 0.48 1 d . U P B 2
F10B F 0.1515(11) 0.7720(3) 0.2953(5) 0.075(3) Uani 0.48 1 d . U P B 2
F11B F 0.1929(10) 0.7602(2) 0.2034(5) 0.065(2) Uani 0.48 1 d . U P B 2
O24B O -0.0074(14) 0.5203(2) -0.2976(6) 0.029(3) Uani 0.46 1 d . . P G 2
C86A C 0.1581(17) 0.5197(4) -0.3729(10) 0.063(2) Uani 0.46 1 d D U P G 1
F64A F 0.2408(10) 0.5170(2) -0.3344(6) 0.072(3) Uani 0.46 1 d . U P G 1
F66A F 0.1962(15) 0.5105(2) -0.4257(6) 0.056(3) Uani 0.46 1 d . U P G 1
F65A F 0.1571(17) 0.5429(2) -0.3882(7) 0.084(3) Uani 0.46 1 d . U P G 1
C87A C -0.072(2) 0.5225(4) -0.4038(8) 0.076(2) Uani 0.46 1 d D U P G 1
F69A F -0.1910(14) 0.5126(3) -0.3937(7) 0.082(3) Uani 0.46 1 d . U P G 1
F68A F -0.1077(15) 0.5444(3) -0.3934(6) 0.088(3) Uani 0.46 1 d . U P G 1
F67A F -0.0564(14) 0.5189(3) -0.4609(5) 0.093(3) Uani 0.46 1 d . U P G 1
C88A C 0.0148(14) 0.4863(3) -0.3530(7) 0.0784(16) Uani 0.46 1 d D U P G 1
F72A F -0.0976(13) 0.4807(2) -0.3294(6) 0.080(2) Uani 0.46 1 d D U P G 1
F71A F 0.0080(14) 0.4792(2) -0.4132(6) 0.084(2) Uani 0.46 1 d D U P G 1
F70A F 0.1282(16) 0.4786(3) -0.3274(8) 0.084(3) Uani 0.46 1 d D U P G 1
C85 C 0.0221(8) 0.51206(14) -0.3530(4) 0.0635(13) Uani 1 1 d D U . . .
C86B C 0.1249(18) 0.5198(3) -0.3986(8) 0.0640(19) Uani 0.54 1 d D U P G 2
F66B F 0.1676(14) 0.5026(2) -0.4360(6) 0.064(3) Uani 0.54 1 d . U P G 2
C87B C -0.1049(17) 0.5044(4) -0.3853(9) 0.0825(16) Uani 0.54 1 d D U P G 2
F69B F -0.1743(13) 0.4927(3) -0.3448(6) 0.097(2) Uani 0.54 1 d . U P G 2
F68B F -0.1771(14) 0.5257(3) -0.3958(6) 0.087(3) Uani 0.54 1 d . U P G 2
F67B F -0.0882(12) 0.4945(2) -0.4367(5) 0.093(2) Uani 0.54 1 d . U P G 2
C88B C 0.0966(15) 0.4920(3) -0.3195(6) 0.083(2) Uani 0.54 1 d D U P G 2
F72B F 0.0411(16) 0.4867(2) -0.2649(5) 0.101(3) Uani 0.54 1 d D U P G 2
F71B F 0.085(2) 0.4725(2) -0.3541(8) 0.113(4) Uani 0.54 1 d D U P G 2
F70B F 0.2246(14) 0.4973(3) -0.3093(7) 0.109(4) Uani 0.54 1 d D U P G 2
O24A O 0.0107(12) 0.52816(19) -0.3103(5) 0.029(2) Uani 0.54 1 d . . P G 1
F64B F 0.2148(11) 0.5323(2) -0.3757(6) 0.080(3) Uani 0.54 1 d . U P G 2
F65B F 0.0578(13) 0.53360(17) -0.4406(4) 0.078(3) Uani 0.54 1 d . U P G 2
O23A O -0.0211(17) 0.5693(3) -0.2466(6) 0.0226(17) Uani 0.32 1 d . U P G 1
C81 C 0.0011(6) 0.58917(10) -0.2788(3) 0.0394(13) Uani 1 1 d D U . . .
C84A C 0.011(2) 0.6090(5) -0.2302(13) 0.047(4) Uani 0.32 1 d . U P G 1
F63A F 0.128(2) 0.6071(5) -0.2003(12) 0.063(6) Uani 0.32 1 d . . P G 1
F61A F -0.009(2) 0.6278(3) -0.2552(16) 0.083(7) Uani 0.32 1 d . . P G 1
F62A F -0.087(5) 0.6018(6) -0.188(2) 0.059(8) Uani 0.32 1 d . U P G 1
C82A C -0.114(3) 0.5932(5) -0.3247(19) 0.041(5) Uani 0.32 1 d . U P G 1
F57A F -0.152(3) 0.5766(4) -0.3554(13) 0.035(5) Uani 0.32 1 d . . P G 1
F56A F -0.222(5) 0.5979(8) -0.286(2) 0.045(5) Uani 0.32 1 d . U P G 1
F55A F -0.089(3) 0.6092(6) -0.3643(14) 0.075(10) Uani 0.32 1 d . . P G 1
C83A C 0.129(3) 0.5881(5) -0.3166(14) 0.048(5) Uani 0.32 1 d . U P G 1
F59A F 0.111(2) 0.5774(5) -0.3689(11) 0.073(6) Uani 0.32 1 d . . P G 1
F58A F 0.178(3) 0.6084(4) -0.3288(17) 0.065(5) Uani 0.32 1 d . U P G 1
F60A F 0.217(2) 0.5773(4) -0.2820(12) 0.054(4) Uani 0.32 1 d . U P G 1
O21 O -0.0374(4) 0.53296(7) -0.17714(17) 0.0344(9) Uani 1 1 d . . . . .
C73B C 0.0423(14) 0.5262(3) -0.1307(10) 0.027(4) Uani 0.53 1 d D . P H 2
C75 C 0.1867(6) 0.52598(14) -0.1519(3) 0.0452(16) Uani 1 1 d D U . . .
F40B F 0.268(2) 0.5245(3) -0.1029(8) 0.052(4) Uani 0.53 1 d . U P H 2
F42B F 0.1996(15) 0.5061(3) -0.1863(5) 0.060(4) Uani 0.53 1 d . . P H 2
F41B F 0.212(3) 0.5421(6) -0.1877(11) 0.062(6) Uani 0.53 1 d . U P H 2
C76B C -0.003(2) 0.5025(4) -0.1075(16) 0.040(5) Uani 0.53 1 d D . P H 2
F43B F -0.1129(8) 0.50545(18) -0.0738(5) 0.063(3) Uani 0.53 1 d . . P H 2
F45B F -0.0335(11) 0.48983(16) -0.1573(7) 0.070(3) Uani 0.53 1 d . . P H 2
F44B F 0.0836(9) 0.49269(14) -0.0736(5) 0.058(2) Uani 0.53 1 d . . P H 2
C74B C 0.0362(12) 0.5433(2) -0.0753(6) 0.036(2) Uani 0.53 1 d D . P H 2
F37B F -0.0865(8) 0.55040(16) -0.0664(4) 0.0496(18) Uani 0.53 1 d . . P H 2
F39B F 0.0772(8) 0.53388(17) -0.0222(3) 0.0504(19) Uani 0.53 1 d . . P H 2
F38B F 0.1078(12) 0.56144(16) -0.0841(7) 0.063(3) Uani 0.53 1 d . . P H 2
C73A C 0.0482(16) 0.5329(3) -0.1304(10) 0.030(5) Uani 0.47 1 d D . P H 1
C76A C 0.0084(16) 0.5144(4) -0.0827(8) 0.046(4) Uani 0.47 1 d D . P H 1
F45A F -0.025(2) 0.4950(3) -0.1129(11) 0.066(6) Uani 0.47 1 d . . P H 1
F44A F 0.1017(10) 0.5100(3) -0.0407(5) 0.075(4) Uani 0.47 1 d . . P H 1
F43A F -0.0966(9) 0.5219(2) -0.0521(4) 0.057(2) Uani 0.47 1 d . . P H 1
C74A C 0.048(2) 0.5566(4) -0.0984(8) 0.046(4) Uani 0.47 1 d D . P H 1
F38A F 0.1204(10) 0.57129(18) -0.1294(5) 0.056(2) Uani 0.47 1 d . . P H 1
F37A F -0.0706(9) 0.5641(2) -0.0960(5) 0.063(3) Uani 0.47 1 d . . P H 1
F39A F 0.0965(10) 0.5554(3) -0.0390(5) 0.073(4) Uani 0.47 1 d . . P H 1
F41A F 0.215(4) 0.5384(6) -0.2031(11) 0.044(4) Uani 0.47 1 d . U P H 1
F40A F 0.280(2) 0.5320(4) -0.1109(12) 0.069(6) Uani 0.47 1 d . U P H 1
F42A F 0.206(2) 0.5052(3) -0.1616(7) 0.063(4) Uani 0.47 1 d . . P H 1
F34A F 0.1129(11) 0.7205(2) 0.0837(7) 0.069(3) Uani 0.5 1 d . . P B 1
O23B O -0.008(2) 0.5698(4) -0.2610(9) 0.0231(18) Uani 0.27 1 d . U P G 2
C84C C 0.140(3) 0.5967(7) -0.2863(19) 0.053(4) Uani 0.27 1 d . U P G 2
F62B F 0.232(5) 0.5811(6) -0.296(3) 0.053(4) Uani 0.27 1 d . U P G 2
F61B F 0.154(5) 0.6155(7) -0.324(2) 0.063(6) Uani 0.27 1 d . U P G 2
F63B F 0.158(2) 0.6061(4) -0.2274(10) 0.050(5) Uani 0.27 1 d . . P G 2
C82C C -0.097(3) 0.6060(4) -0.2593(13) 0.044(4) Uani 0.27 1 d . U P G 2
F56B F -0.215(5) 0.6048(5) -0.283(3) 0.053(7) Uani 0.27 1 d . U P G 2
F57B F -0.080(5) 0.6086(5) -0.196(2) 0.044(7) Uani 0.27 1 d . U P G 2
F55B F -0.072(3) 0.6267(4) -0.2757(12) 0.068(7) Uani 0.27 1 d . . P G 2
C83C C -0.033(2) 0.5865(4) -0.3532(8) 0.041(4) Uani 0.27 1 d D U P G 2
F58B F -0.080(4) 0.6059(7) -0.3870(11) 0.051(6) Uani 0.27 1 d . U P G 2
F60B F 0.055(2) 0.5771(4) -0.3905(10) 0.053(5) Uani 0.27 1 d . U P G 2
F59B F -0.138(4) 0.5705(5) -0.3650(17) 0.036(6) Uani 0.27 1 d . U P G 2
O23C O 0.0062(12) 0.5660(2) -0.2746(5) 0.0234(15) Uani 0.41 1 d . U P G 3
C84B C 0.0194(17) 0.5988(3) -0.2083(7) 0.040(3) Uani 0.41 1 d D U P G 3
F63C F 0.1390(17) 0.5953(3) -0.1831(8) 0.066(4) Uani 0.41 1 d . . P G 3
F61C F -0.0036(16) 0.6213(2) -0.2005(7) 0.069(4) Uani 0.41 1 d . . P G 3
F62C F -0.0608(12) 0.58858(19) -0.1683(4) 0.047(2) Uani 0.41 1 d . . P G 3
C82B C -0.121(2) 0.5990(4) -0.3027(11) 0.041(4) Uani 0.41 1 d . U P G 3
F57C F -0.1503(15) 0.5909(4) -0.3551(8) 0.072(5) Uani 0.41 1 d . . P G 3
F56C F -0.221(3) 0.5967(6) -0.2637(9) 0.050(5) Uani 0.41 1 d . U P G 3
F55C F -0.1125(16) 0.6224(3) -0.3105(13) 0.090(6) Uani 0.41 1 d . . P G 3
C83B C 0.126(3) 0.5981(5) -0.3111(14) 0.052(4) Uani 0.41 1 d . U P G 3
F59C F 0.1021(11) 0.5942(3) -0.3727(5) 0.059(3) Uani 0.41 1 d . . P G 3
F58C F 0.151(3) 0.6190(4) -0.3034(9) 0.063(4) Uani 0.41 1 d . U P G 3
F60C F 0.225(3) 0.5866(4) -0.2969(18) 0.054(3) Uani 0.41 1 d . U P G 3
Cl3B Cl 0.8703(7) 0.62025(11) 0.2941(3) 0.0692(15) Uani 0.49 1 d D U P I 2
C90B C 0.963(2) 0.6086(3) 0.3553(10) 0.078(6) Uani 0.49 1 d D U P I 2
H90C H 0.916291 0.610716 0.394682 0.093 Uiso 0.49 1 calc R U P I 2
H90D H 1.046122 0.616924 0.358954 0.093 Uiso 0.49 1 calc R U P I 2
Cl4B Cl 0.9969(9) 0.57967(19) 0.3461(4) 0.087(3) Uani 0.49 1 d D U P I 2
O20B O -0.0336(10) 0.76692(17) 0.0311(4) 0.033(2) Uani 0.6 1 d . . P B 1
O20A O -0.0084(12) 0.7620(2) 0.0535(6) 0.019(2) Uani 0.4 1 d . . P B 2
C72B C 0.1256(18) 0.7383(3) 0.0443(8) 0.043(3) Uani 0.5 1 d . U P B 2
F35B F 0.1726(12) 0.7193(2) 0.0183(6) 0.062(3) Uani 0.5 1 d . . P B 2
F34B F 0.1064(10) 0.7337(2) 0.1044(4) 0.060(2) Uani 0.5 1 d . . P B 2
F36B F 0.2091(18) 0.7547(3) 0.0381(12) 0.088(6) Uani 0.5 1 d . . P B 2
F32B F 0.0051(14) 0.72348(19) -0.0788(5) 0.051(3) Uani 0.4 1 d . U P B 2
F31 F 0.1028(7) 0.75527(10) -0.0758(2) 0.0841(18) Uani 1 1 d . . . . .
F33B F -0.0929(15) 0.7554(2) -0.0855(5) 0.060(3) Uani 0.4 1 d . U P B 2
C71B C 0.002(5) 0.7447(8) -0.055(3) 0.064(4) Uani 0.4 1 d . U P B 2


_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
Ag2 As3 2.7194(6) . ?
Ag2 As4 2.7085(7) . ?
Ag2 P4 2.5395(14) . ?
Ag2 P2 2.4859(13) . ?
Mo7 Mo8 3.0516(6) . ?
Mo7 As3 2.6382(7) . ?
Mo7 As4 2.5522(6) . ?
Mo7 C43 1.997(5) . ?
Mo7 C44 1.988(6) . ?
Mo7 C49 2.372(5) . ?
Mo7 C47 2.299(5) . ?
Mo7 C46 2.310(5) . ?
Mo7 C48 2.332(5) . ?
Mo7 C45 2.349(6) . ?
Ag1 As1 2.6528(7) . ?
Ag1 As2 2.7147(6) . ?
Ag1 P1 2.4971(13) . ?
Ag1 P3 2.4581(13) . ?
Mo5 Mo6 3.0569(6) . ?
Mo5 As1 2.6367(6) . ?
Mo5 As2 2.5619(7) . ?
Mo5 C30 1.989(6) . ?
Mo5 C31 2.303(5) . ?
Mo5 C29 2.002(6) . ?
Mo5 C33 2.371(5) . ?
Mo5 C34 2.321(5) . ?
Mo5 C35 2.296(5) . ?
Mo5 C32 2.352(6) . ?
Mo6 As1 2.5366(6) . ?
Mo6 As2 2.6276(7) . ?
Mo6 C37 1.994(6) . ?
Mo6 C36 1.992(7) . ?
Mo6 C42 2.371(5) . ?
Mo6 C41 2.342(6) . ?
Mo6 C38 2.320(5) . ?
Mo6 C40 2.315(6) . ?
Mo6 C39 2.291(6) . ?
Mo8 As3 2.5479(7) . ?
Mo8 As4 2.6326(7) . ?
Mo8 C51 2.006(7) . ?
Mo8 C56 2.347(7) . ?
Mo8 C50 1.981(7) . ?
Mo8 C55 2.367(6) . ?
Mo8 C52 2.296(6) . ?
Mo8 C53 2.290(6) . ?
Mo8 C54 2.324(6) . ?
Mo3 Mo4 3.0345(6) . ?
Mo3 P4 2.4645(14) . ?
Mo3 P3 2.5152(14) . ?
Mo3 C15 2.004(6) . ?
Mo3 C16 1.993(7) . ?
Mo3 C19 2.355(6) . ?
Mo3 C21 2.340(7) . ?
Mo3 C18 2.303(7) . ?
Mo3 C17 2.306(7) . ?
Mo3 C20 2.396(7) . ?
Mo1 Mo2 3.0437(6) . ?
Mo1 P2 2.5245(14) . ?
Mo1 P1 2.4440(13) . ?
Mo1 C1 2.004(7) . ?
Mo1 C6A 2.315(10) . ?
Mo1 C2A 1.994(12) . ?
Mo1 C5A 2.367(15) . ?
Mo1 C7A 2.275(14) . ?
Mo1 C4A 2.377(10) . ?
Mo1 C3A 2.320(11) . ?
Mo1 C2B 1.98(2) . ?
Mo1 C6B 2.35(2) . ?
Mo1 C5B 2.312(15) . ?
Mo1 C4B 2.314(12) . ?
Mo1 C3B 2.409(17) . ?
Mo1 C7B 2.418(16) . ?
Mo2 P2 2.4723(13) . ?
Mo2 P1 2.5214(15) . ?
Mo2 C9 2.015(6) . ?
Mo2 C8 1.986(7) . ?
Mo2 C11 2.377(6) . ?
Mo2 C14 2.279(6) . ?
Mo2 C10 2.323(6) . ?
Mo2 C12 2.347(7) . ?
Mo2 C13 2.306(7) . ?
Mo4 P4 2.5480(15) . ?
Mo4 P3 2.4382(13) . ?
Mo4 C23 1.989(7) . ?
Mo4 C28 2.367(6) . ?
Mo4 C22 2.004(6) . ?
Mo4 C27 2.367(7) . ?
Mo4 C24 2.326(7) . ?
Mo4 C25 2.284(7) . ?
Mo4 C26 2.310(8) . ?
As1 As2 2.3917(8) . ?
As3 As4 2.3851(8) . ?
P4 P3 2.1000(18) . ?
P2 P1 2.0967(19) . ?
Al2 O22 1.718(4) . ?
Al2 O24B 1.738(13) . ?
Al2 O24A 1.717(11) . ?
Al2 O23A 1.699(18) . ?
Al2 O21 1.726(4) . ?
Al2 O23B 1.78(3) . ?
Al2 O23C 1.703(13) . ?
Al1 O17 1.714(4) . ?
Al1 O18A 1.716(13) . ?
Al1 O19 1.710(4) . ?
Al1 O18B 1.717(12) . ?
Al1 O20B 1.695(9) . ?
Al1 O20A 1.766(12) . ?
Cl2 C89 1.787(10) . ?
Cl1 C89 1.729(10) . ?
Cl4A C90A 1.744(12) . ?
Cl3A C90A 1.756(13) . ?
F53 C80 1.338(7) . ?
F51 C79 1.325(7) . ?
F52 C80 1.318(8) . ?
O22 C77 1.343(6) . ?
O14 C44 1.160(7) . ?
O5 C15 1.140(7) . ?
O17 C57 1.342(7) . ?
F54 C80 1.334(7) . ?
F47 C78 1.332(10) . ?
F49 C79 1.326(8) . ?
O8 C23 1.140(8) . ?
F29 C70 1.307(8) . ?
O13 C43 1.131(7) . ?
O12 C37 1.158(8) . ?
O9 C29 1.137(8) . ?
F50 C79 1.330(7) . ?
F30 C70 1.335(9) . ?
O7 C22 1.143(8) . ?
F5 C59 1.339(10) . ?
O11 C36 1.157(8) . ?
F8 C60 1.314(9) . ?
O10 C30 1.145(8) . ?
O4 C9 1.130(8) . ?
O3 C8 1.151(8) . ?
O1 C1 1.144(9) . ?
F9 C60 1.326(8) . ?
F4 C59 1.305(9) . ?
O16 C51 1.119(9) . ?
F28 C70 1.322(8) . ?
F7 C60 1.339(10) . ?
F3 C58 1.321(11) . ?
O6 C16 1.134(9) . ?
F2 C58 1.323(10) . ?
F48 C78 1.324(9) . ?
O18A C61 1.352(14) . ?
F46 C78 1.346(10) . ?
F6 C59 1.326(9) . ?
F12A C62A 1.36(4) . ?
F1 C58 1.342(9) . ?
O15 C50 1.152(9) . ?
C69 C70 1.548(9) . ?
C69 C72A 1.54(2) . ?
C69 C71A 1.54(4) . ?
C69 O20B 1.375(11) . ?
C69 O20A 1.310(13) . ?
C69 C72B 1.57(2) . ?
C69 C71B 1.51(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.424(12) . ?
C28 C24 1.406(10) . ?
C77 C80 1.561(7) . ?
C77 C79 1.554(8) . ?
C77 C78 1.543(8) . ?
C27 H27 0.9500 . ?
C27 C26 1.425(11) . ?
C49 H49 0.9500 . ?
C49 C48 1.408(10) . ?
C49 C45 1.418(8) . ?
F13A C63A 1.38(2) . ?
C42 H42 0.9500 . ?
C42 C41 1.417(8) . ?
C42 C38 1.403(9) . ?
F32A C71A 1.28(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.419(13) . ?
C31 H31 0.9500 . ?
C31 C35 1.413(10) . ?
C31 C32 1.407(10) . ?
F36A C72A 1.37(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.405(10) . ?
C33 C32 1.413(10) . ?
C11 H11 0.9500 . ?
C11 C10 1.424(11) . ?
C11 C12 1.413(12) . ?
C41 H41 0.9500 . ?
C41 C40 1.398(10) . ?
C57 C59 1.555(9) . ?
C57 C58 1.543(9) . ?
C57 C60 1.547(8) . ?
C47 H47 0.9500 . ?
C47 C46 1.431(9) . ?
C47 C48 1.422(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.427(11) . ?
C56 H56 0.9500 . ?
C56 C55 1.434(11) . ?
C56 C52 1.412(11) . ?
C46 H46 0.9500 . ?
C46 C45 1.416(10) . ?
C48 H48 0.9500 . ?
C19 H19 0.9500 . ?
C19 C18 1.428(13) . ?
C19 C20 1.425(13) . ?
F16A C64 1.484(14) . ?
C21 H21 0.9500 . ?
C21 C17 1.421(13) . ?
C21 C20 1.411(11) . ?
C14 H14 0.9500 . ?
C14 C10 1.400(11) . ?
C14 C13 1.414(11) . ?
F35A C72A 1.34(2) . ?
F10A C62A 1.34(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.418(9) . ?
C55 H55 0.9500 . ?
C55 C54 1.382(12) . ?
C35 H35 0.9500 . ?
C45 H45 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.419(13) . ?
F33A C71A 1.38(3) . ?
C10 H10 0.9500 . ?
C52 H52 0.9500 . ?
C52 C53 1.409(12) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C40 H40 0.9500 . ?
C40 C39 1.445(12) . ?
F17A C64 1.247(12) . ?
C32 H32 0.9500 . ?
C39 H39 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.413(12) . ?
C12 H12 0.9500 . ?
C12 C13 1.425(10) . ?
C13 H13 0.9500 . ?
O2A C2A 1.127(15) . ?
C64 C61 1.546(9) . ?
C64 F16B 1.219(16) . ?
C64 F17B 1.459(13) . ?
C64 F18 1.307(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.416(11) . ?
F14A C63A 1.30(2) . ?
C17 H17 0.9500 . ?
C20 H20 0.9500 . ?
C26 H26 0.9500 . ?
F11A C62A 1.28(3) . ?
C6A H6A 0.9500 . ?
C6A C5A 1.38(2) . ?
C6A C7A 1.40(2) . ?
C90A H90A 0.9900 . ?
C90A H90B 0.9900 . ?
C54 H54 0.9500 . ?
C5A H5A 0.9500 . ?
C5A C4A 1.428(18) . ?
F15A C63A 1.34(2) . ?
C72A F34A 1.34(2) . ?
C71A F31 1.41(4) . ?
C7A H7A 0.9500 . ?
C7A C3A 1.43(2) . ?
C63A C61 1.501(18) . ?
C4A H4A 0.9500 . ?
C4A C3A 1.38(2) . ?
C62A C61 1.58(2) . ?
C3A H3A 0.9500 . ?
O2B C2B 1.13(3) . ?
C6B H6B 0.9500 . ?
C6B C5B 1.41(3) . ?
C6B C7B 1.43(3) . ?
C5B H5B 0.9500 . ?
C5B C4B 1.43(2) . ?
C4B H4B 0.9500 . ?
C4B C3B 1.42(2) . ?
C3B H3B 0.9500 . ?
C3B C7B 1.46(3) . ?
C7B H7B 0.9500 . ?
O19 C65 1.341(7) . ?
C65 C68A 1.566(16) . ?
C65 C67A 1.487(14) . ?
C65 C66A 1.633(13) . ?
C65 C67B 1.563(15) . ?
C65 C68B 1.584(14) . ?
C65 C66B 1.474(17) . ?
C68A F26A 1.32(2) . ?
C68A F27A 1.326(14) . ?
C68A F25A 1.317(16) . ?
C67A F22A 1.315(17) . ?
C67A F23A 1.35(2) . ?
C67A F24A 1.352(13) . ?
C66A F19A 1.326(16) . ?
C66A F21 1.292(12) . ?
C66A F20 1.331(13) . ?
F21 C66B 1.453(17) . ?
C67B F23B 1.319(18) . ?
C67B F24B 1.329(15) . ?
C67B F22B 1.330(17) . ?
C68B F25B 1.351(14) . ?
C68B F26B 1.32(3) . ?
C68B F27B 1.302(17) . ?
C66B F20 1.369(13) . ?
C66B F19B 1.34(2) . ?
O18B C61 1.334(13) . ?
C61 C63B 1.65(3) . ?
C61 C62B 1.49(3) . ?
C63B F14B 1.28(3) . ?
C63B F15B 1.31(3) . ?
C63B F13B 1.30(3) . ?
C62B F12B 1.31(4) . ?
C62B F10B 1.35(2) . ?
C62B F11B 1.34(3) . ?
O24B C85 1.328(15) . ?
C86A F64A 1.19(3) . ?
C86A F66A 1.32(2) . ?
C86A F65A 1.41(3) . ?
C86A C85 1.542(14) . ?
C87A F69A 1.38(3) . ?
C87A F68A 1.37(2) . ?
C87A F67A 1.26(2) . ?
C87A C85 1.573(15) . ?
C88A F72A 1.316(14) . ?
C88A F71A 1.362(14) . ?
C88A F70A 1.362(15) . ?
C88A C85 1.524(15) . ?
C85 C86B 1.526(13) . ?
C85 C87B 1.539(15) . ?
C85 C88B 1.581(15) . ?
C85 O24A 1.329(14) . ?
C86B F66B 1.373(19) . ?
C86B F64B 1.28(2) . ?
C86B F65B 1.39(2) . ?
C87B F69B 1.33(2) . ?
C87B F68B 1.48(3) . ?
C87B F67B 1.26(2) . ?
C88B F72B 1.350(14) . ?
C88B F71B 1.377(14) . ?
C88B F70B 1.371(15) . ?
O23A C81 1.386(18) . ?
C81 C84A 1.57(3) . ?
C81 C82A 1.55(4) . ?
C81 C83A 1.56(3) . ?
C81 O23B 1.21(3) . ?
C81 C84C 1.51(4) . ?
C81 C82C 1.49(3) . ?
C81 C83C 1.638(17) . ?
C81 O23C 1.373(14) . ?
C81 C84B 1.625(14) . ?
C81 C82B 1.48(2) . ?
C81 C83B 1.57(3) . ?
C84A F63A 1.36(4) . ?
C84A F61A 1.25(4) . ?
C84A F62A 1.44(5) . ?
C82A F57A 1.24(5) . ?
C82A F56A 1.43(6) . ?
C82A F55A 1.30(4) . ?
C83A F59A 1.30(4) . ?
C83A F58A 1.33(4) . ?
C83A F60A 1.32(4) . ?
O21 C73B 1.34(2) . ?
O21 C73A 1.33(2) . ?
C73B C75 1.565(13) . ?
C73B C76B 1.563(15) . ?
C73B C74B 1.565(15) . ?
C75 F40B 1.34(2) . ?
C75 F42B 1.396(19) . ?
C75 F41B 1.26(4) . ?
C75 C73A 1.563(13) . ?
C75 F41A 1.36(3) . ?
C75 F40A 1.34(3) . ?
C75 F42A 1.26(2) . ?
C76B F43B 1.37(3) . ?
C76B F45B 1.34(3) . ?
C76B F44B 1.28(3) . ?
C74B F37B 1.350(14) . ?
C74B F39B 1.333(17) . ?
C74B F38B 1.316(18) . ?
C73A C76A 1.558(15) . ?
C73A C74A 1.563(15) . ?
C76A F45A 1.36(3) . ?
C76A F44A 1.332(19) . ?
C76A F43A 1.351(19) . ?
C74A F38A 1.33(3) . ?
C74A F37A 1.30(2) . ?
C74A F39A 1.364(19) . ?
C84C F62B 1.35(6) . ?
C84C F61B 1.39(6) . ?
C84C F63B 1.39(5) . ?
C82C F56B 1.31(6) . ?
C82C F57B 1.38(5) . ?
C82C F55B 1.30(4) . ?
C83C F58B 1.43(4) . ?
C83C F60B 1.34(3) . ?
C83C F59B 1.46(5) . ?
C84B F63C 1.35(2) . ?
C84B F61C 1.36(2) . ?
C84B F62C 1.35(2) . ?
C82B F57C 1.26(3) . ?
C82B F56C 1.34(3) . ?
C82B F55C 1.40(3) . ?
C83B F59C 1.36(3) . ?
C83B F58C 1.28(4) . ?
C83B F60C 1.26(4) . ?
Cl3B C90B 1.755(15) . ?
C90B H90C 0.9900 . ?
C90B H90D 0.9900 . ?
C90B Cl4B 1.757(15) . ?
C72B F35B 1.35(2) . ?
C72B F34B 1.34(2) . ?
C72B F36B 1.30(3) . ?
F32B C71B 1.36(5) . ?
F31 C71B 1.30(6) . ?
F33B C71B 1.33(5) . ?

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
As4 Ag2 As3 52.131(18) . . ?
P4 Ag2 As3 99.80(3) . . ?
P4 Ag2 As4 129.53(4) . . ?
P2 Ag2 As3 133.42(3) . . ?
P2 Ag2 As4 114.63(4) . . ?
P2 Ag2 P4 114.18(4) . . ?
As3 Mo7 Mo8 52.595(16) . . ?
As4 Mo7 Mo8 55.174(17) . . ?
As4 Mo7 As3 54.681(19) . . ?
C43 Mo7 Mo8 127.43(15) . . ?
C43 Mo7 As3 77.28(16) . . ?
C43 Mo7 As4 85.06(15) . . ?
C43 Mo7 C49 143.7(2) . . ?
C43 Mo7 C47 91.0(2) . . ?
C43 Mo7 C46 85.1(2) . . ?
C43 Mo7 C48 125.4(2) . . ?
C43 Mo7 C45 114.0(2) . . ?
C44 Mo7 Mo8 89.26(16) . . ?
C44 Mo7 As3 70.88(15) . . ?
C44 Mo7 As4 125.31(16) . . ?
C44 Mo7 C43 88.2(2) . . ?
C44 Mo7 C49 111.7(2) . . ?
C44 Mo7 C47 93.7(2) . . ?
C44 Mo7 C46 129.0(2) . . ?
C44 Mo7 C48 85.3(2) . . ?
C44 Mo7 C45 143.6(2) . . ?
C49 Mo7 Mo8 84.43(14) . . ?
C49 Mo7 As3 136.99(14) . . ?
C49 Mo7 As4 104.98(16) . . ?
C47 Mo7 Mo8 141.52(16) . . ?
C47 Mo7 As3 160.66(17) . . ?
C47 Mo7 As4 140.54(17) . . ?
C47 Mo7 C49 58.9(2) . . ?
C47 Mo7 C46 36.2(2) . . ?
C47 Mo7 C48 35.8(2) . . ?
C47 Mo7 C45 59.3(2) . . ?
C46 Mo7 Mo8 133.16(18) . . ?
C46 Mo7 As3 153.29(16) . . ?
C46 Mo7 As4 104.42(17) . . ?
C46 Mo7 C49 58.8(2) . . ?
C46 Mo7 C48 59.4(2) . . ?
C46 Mo7 C45 35.4(2) . . ?
C48 Mo7 Mo8 106.68(16) . . ?
C48 Mo7 As3 147.19(15) . . ?
C48 Mo7 As4 139.77(18) . . ?
C48 Mo7 C49 34.8(2) . . ?
C48 Mo7 C45 58.5(2) . . ?
C45 Mo7 Mo8 97.95(16) . . ?
C45 Mo7 As3 139.64(15) . . ?
C45 Mo7 As4 86.65(15) . . ?
C45 Mo7 C49 35.0(2) . . ?
As1 Ag1 As2 52.908(18) . . ?
P1 Ag1 As1 137.91(4) . . ?
P1 Ag1 As2 108.42(3) . . ?
P3 Ag1 As1 109.18(4) . . ?
P3 Ag1 As2 137.11(4) . . ?
P3 Ag1 P1 107.41(4) . . ?
As1 Mo5 Mo6 52.279(15) . . ?
As2 Mo5 Mo6 54.912(16) . . ?
As2 Mo5 As1 54.760(19) . . ?
C30 Mo5 Mo6 126.99(17) . . ?
C30 Mo5 As1 78.03(17) . . ?
C30 Mo5 As2 83.44(18) . . ?
C30 Mo5 C31 83.4(2) . . ?
C30 Mo5 C29 90.2(3) . . ?
C30 Mo5 C33 142.0(2) . . ?
C30 Mo5 C34 125.9(2) . . ?
C30 Mo5 C35 91.1(2) . . ?
C30 Mo5 C32 111.4(2) . . ?
C31 Mo5 Mo6 134.24(19) . . ?
C31 Mo5 As1 154.05(17) . . ?
C31 Mo5 As2 105.52(18) . . ?
C31 Mo5 C33 58.6(2) . . ?
C31 Mo5 C34 59.2(2) . . ?
C31 Mo5 C32 35.2(3) . . ?
C29 Mo5 Mo6 90.13(17) . . ?
C29 Mo5 As1 71.26(16) . . ?
C29 Mo5 As2 125.83(16) . . ?
C29 Mo5 C31 127.1(2) . . ?
C29 Mo5 C33 111.8(2) . . ?
C29 Mo5 C34 84.6(2) . . ?
C29 Mo5 C35 92.4(2) . . ?
C29 Mo5 C32 142.8(2) . . ?
C33 Mo5 Mo6 85.15(16) . . ?
C33 Mo5 As1 137.38(16) . . ?
C33 Mo5 As2 105.33(17) . . ?
C34 Mo5 Mo6 106.92(16) . . ?
C34 Mo5 As1 146.65(15) . . ?
C34 Mo5 As2 140.14(17) . . ?
C34 Mo5 C33 34.8(2) . . ?
C34 Mo5 C32 58.2(2) . . ?
C35 Mo5 Mo6 141.87(18) . . ?
C35 Mo5 As1 160.06(19) . . ?
C35 Mo5 As2 141.25(18) . . ?
C35 Mo5 C31 35.8(2) . . ?
C35 Mo5 C33 58.7(2) . . ?
C35 Mo5 C34 35.8(2) . . ?
C35 Mo5 C32 58.7(3) . . ?
C32 Mo5 Mo6 99.24(18) . . ?
C32 Mo5 As1 140.92(18) . . ?
C32 Mo5 As2 87.77(18) . . ?
C32 Mo5 C33 34.8(2) . . ?
As1 Mo6 Mo5 55.309(16) . . ?
As1 Mo6 As2 55.145(19) . . ?
As2 Mo6 Mo5 52.921(16) . . ?
C37 Mo6 Mo5 128.84(16) . . ?
C37 Mo6 As1 88.41(16) . . ?
C37 Mo6 As2 77.43(16) . . ?
C37 Mo6 C42 142.6(2) . . ?
C37 Mo6 C41 113.1(2) . . ?
C37 Mo6 C38 124.4(2) . . ?
C37 Mo6 C40 84.1(2) . . ?
C37 Mo6 C39 89.7(3) . . ?
C36 Mo6 Mo5 87.88(19) . . ?
C36 Mo6 As1 127.12(17) . . ?
C36 Mo6 As2 72.72(17) . . ?
C36 Mo6 C37 88.5(3) . . ?
C36 Mo6 C42 111.6(2) . . ?
C36 Mo6 C41 143.5(2) . . ?
C36 Mo6 C38 85.1(2) . . ?
C36 Mo6 C40 129.3(3) . . ?
C36 Mo6 C39 93.5(3) . . ?
C42 Mo6 Mo5 84.68(15) . . ?
C42 Mo6 As1 102.01(15) . . ?
C42 Mo6 As2 137.57(15) . . ?
C41 Mo6 Mo5 99.04(15) . . ?
C41 Mo6 As1 84.31(15) . . ?
C41 Mo6 As2 138.54(15) . . ?
C41 Mo6 C42 35.0(2) . . ?
C38 Mo6 Mo5 106.11(19) . . ?
C38 Mo6 As1 136.78(18) . . ?
C38 Mo6 As2 148.96(19) . . ?
C38 Mo6 C42 34.8(2) . . ?
C38 Mo6 C41 58.5(2) . . ?
C40 Mo6 Mo5 133.85(19) . . ?
C40 Mo6 As1 102.8(2) . . ?
C40 Mo6 As2 151.10(19) . . ?
C40 Mo6 C42 58.6(2) . . ?
C40 Mo6 C41 34.9(2) . . ?
C40 Mo6 C38 59.7(3) . . ?
C39 Mo6 Mo5 141.5(2) . . ?
C39 Mo6 As1 139.2(2) . . ?
C39 Mo6 As2 161.2(2) . . ?
C39 Mo6 C42 59.1(2) . . ?
C39 Mo6 C41 59.3(3) . . ?
C39 Mo6 C38 36.1(3) . . ?
C39 Mo6 C40 36.6(3) . . ?
As3 Mo8 Mo7 55.338(17) . . ?
As3 Mo8 As4 54.80(2) . . ?
As4 Mo8 Mo7 52.734(16) . . ?
C51 Mo8 Mo7 90.00(19) . . ?
C51 Mo8 As3 126.63(19) . . ?
C51 Mo8 As4 72.10(19) . . ?
C51 Mo8 C56 143.0(3) . . ?
C51 Mo8 C55 110.1(3) . . ?
C51 Mo8 C52 129.4(3) . . ?
C51 Mo8 C53 94.2(3) . . ?
C51 Mo8 C54 84.8(3) . . ?
C56 Mo8 Mo7 96.54(17) . . ?
C56 Mo8 As3 85.55(18) . . ?
C56 Mo8 As4 138.42(18) . . ?
C56 Mo8 C55 35.4(3) . . ?
C50 Mo8 Mo7 129.8(2) . . ?
C50 Mo8 As3 86.64(19) . . ?
C50 Mo8 As4 79.6(2) . . ?
C50 Mo8 C51 88.9(3) . . ?
C50 Mo8 C56 113.3(3) . . ?
C50 Mo8 C55 141.8(3) . . ?
C50 Mo8 C52 83.6(3) . . ?
C50 Mo8 C53 88.2(3) . . ?
C50 Mo8 C54 122.3(3) . . ?
C55 Mo8 Mo7 84.45(17) . . ?
C55 Mo8 As3 105.6(2) . . ?
C55 Mo8 As4 137.12(17) . . ?
C52 Mo8 Mo7 131.7(2) . . ?
C52 Mo8 As3 102.8(2) . . ?
C52 Mo8 As4 152.46(19) . . ?
C52 Mo8 C56 35.4(3) . . ?
C52 Mo8 C55 58.6(3) . . ?
C52 Mo8 C54 59.0(3) . . ?
C53 Mo8 Mo7 141.8(2) . . ?
C53 Mo8 As3 138.6(2) . . ?
C53 Mo8 As4 161.6(2) . . ?
C53 Mo8 C56 59.3(3) . . ?
C53 Mo8 C55 58.5(3) . . ?
C53 Mo8 C52 35.8(3) . . ?
C53 Mo8 C54 35.7(3) . . ?
C54 Mo8 Mo7 107.47(19) . . ?
C54 Mo8 As3 139.7(2) . . ?
C54 Mo8 As4 148.29(19) . . ?
C54 Mo8 C56 58.5(3) . . ?
C54 Mo8 C55 34.2(3) . . ?
P4 Mo3 Mo4 54.01(4) . . ?
P4 Mo3 P3 49.87(4) . . ?
P3 Mo3 Mo4 51.08(3) . . ?
C15 Mo3 Mo4 87.14(17) . . ?
C15 Mo3 P4 121.63(17) . . ?
C15 Mo3 P3 72.10(16) . . ?
C15 Mo3 C19 142.9(3) . . ?
C15 Mo3 C21 85.2(2) . . ?
C15 Mo3 C18 129.7(3) . . ?
C15 Mo3 C17 94.6(3) . . ?
C15 Mo3 C20 110.5(3) . . ?
C16 Mo3 Mo4 131.1(2) . . ?
C16 Mo3 P4 88.3(2) . . ?
C16 Mo3 P3 81.5(2) . . ?
C16 Mo3 C15 89.1(3) . . ?
C16 Mo3 C19 113.0(3) . . ?
C16 Mo3 C21 121.4(3) . . ?
C16 Mo3 C18 82.6(3) . . ?
C16 Mo3 C17 87.3(3) . . ?
C16 Mo3 C20 141.2(3) . . ?
C19 Mo3 Mo4 98.2(2) . . ?
C19 Mo3 P4 89.78(19) . . ?
C19 Mo3 P3 137.8(2) . . ?
C19 Mo3 C20 34.9(3) . . ?
C21 Mo3 Mo4 106.8(2) . . ?
C21 Mo3 P4 141.8(2) . . ?
C21 Mo3 P3 147.9(2) . . ?
C21 Mo3 C19 58.0(3) . . ?
C21 Mo3 C20 34.6(3) . . ?
C18 Mo3 Mo4 133.8(2) . . ?
C18 Mo3 P4 107.7(2) . . ?
C18 Mo3 P3 152.7(2) . . ?
C18 Mo3 C19 35.7(3) . . ?
C18 Mo3 C21 58.9(3) . . ?
C18 Mo3 C17 35.7(3) . . ?
C18 Mo3 C20 59.0(3) . . ?
C17 Mo3 Mo4 141.6(3) . . ?
C17 Mo3 P4 143.4(2) . . ?
C17 Mo3 P3 162.7(2) . . ?
C17 Mo3 C19 59.1(3) . . ?
C17 Mo3 C21 35.6(3) . . ?
C17 Mo3 C20 58.9(3) . . ?
C20 Mo3 Mo4 84.5(2) . . ?
C20 Mo3 P4 107.13(19) . . ?
C20 Mo3 P3 135.6(2) . . ?
P2 Mo1 Mo2 51.70(3) . . ?
P1 Mo1 Mo2 53.36(4) . . ?
P1 Mo1 P2 49.89(4) . . ?
C1 Mo1 Mo2 86.23(17) . . ?
C1 Mo1 P2 74.0(2) . . ?
C1 Mo1 P1 122.9(2) . . ?
C1 Mo1 C6A 137.6(3) . . ?
C1 Mo1 C5A 106.7(5) . . ?
C1 Mo1 C7A 124.3(5) . . ?
C1 Mo1 C4A 79.7(4) . . ?
C1 Mo1 C3A 88.5(4) . . ?
C1 Mo1 C6B 137.8(6) . . ?
C1 Mo1 C5B 102.8(6) . . ?
C1 Mo1 C4B 84.9(4) . . ?
C1 Mo1 C3B 104.3(5) . . ?
C1 Mo1 C7B 139.2(5) . . ?
C6A Mo1 Mo2 99.8(3) . . ?
C6A Mo1 P2 140.7(3) . . ?
C6A Mo1 P1 92.3(3) . . ?
C6A Mo1 C5A 34.2(6) . . ?
C6A Mo1 C4A 58.1(4) . . ?
C6A Mo1 C3A 59.2(4) . . ?
C2A Mo1 Mo2 134.3(3) . . ?
C2A Mo1 P2 83.6(4) . . ?
C2A Mo1 P1 92.7(3) . . ?
C2A Mo1 C1 90.4(4) . . ?
C2A Mo1 C6A 112.5(5) . . ?
C2A Mo1 C5A 139.6(6) . . ?
C2A Mo1 C7A 82.2(6) . . ?
C2A Mo1 C4A 120.0(5) . . ?
C2A Mo1 C3A 87.3(5) . . ?
C5A Mo1 Mo2 84.1(4) . . ?
C5A Mo1 P2 135.8(4) . . ?
C5A Mo1 P1 106.8(4) . . ?
C5A Mo1 C4A 35.0(5) . . ?
C7A Mo1 Mo2 135.3(4) . . ?
C7A Mo1 P2 156.8(4) . . ?
C7A Mo1 P1 112.5(4) . . ?
C7A Mo1 C6A 35.5(5) . . ?
C7A Mo1 C5A 57.9(6) . . ?
C7A Mo1 C4A 58.4(5) . . ?
C7A Mo1 C3A 36.4(5) . . ?
C4A Mo1 Mo2 104.2(3) . . ?
C4A Mo1 P2 144.7(3) . . ?
C4A Mo1 P1 141.6(3) . . ?
C3A Mo1 Mo2 137.9(4) . . ?
C3A Mo1 P2 160.1(3) . . ?
C3A Mo1 P1 148.6(3) . . ?
C3A Mo1 C5A 57.8(5) . . ?
C3A Mo1 C4A 34.0(5) . . ?
C2B Mo1 Mo2 70.6(6) . . ?
C2B Mo1 P2 121.8(6) . . ?
C2B Mo1 P1 102.4(5) . . ?
C2B Mo1 C1 98.3(7) . . ?
C2B Mo1 C6B 83.6(9) . . ?
C2B Mo1 C5B 85.7(8) . . ?
C2B Mo1 C4B 119.2(7) . . ?
C2B Mo1 C3B 141.0(8) . . ?
C2B Mo1 C7B 114.1(8) . . ?
C6B Mo1 Mo2 132.5(5) . . ?
C6B Mo1 P2 139.5(6) . . ?
C6B Mo1 P1 97.2(6) . . ?
C6B Mo1 C3B 58.4(7) . . ?
C6B Mo1 C7B 34.7(8) . . ?
C5B Mo1 Mo2 155.7(5) . . ?
C5B Mo1 P2 152.4(5) . . ?
C5B Mo1 P1 131.1(6) . . ?
C5B Mo1 C6B 35.0(7) . . ?
C5B Mo1 C4B 36.0(6) . . ?
C5B Mo1 C3B 58.7(7) . . ?
C5B Mo1 C7B 58.2(7) . . ?
C4B Mo1 Mo2 167.7(3) . . ?
C4B Mo1 P2 117.3(4) . . ?
C4B Mo1 P1 126.2(4) . . ?
C4B Mo1 C6B 58.8(6) . . ?
C4B Mo1 C3B 34.9(6) . . ?
C4B Mo1 C7B 58.3(5) . . ?
C3B Mo1 Mo2 141.3(4) . . ?
C3B Mo1 P2 94.9(4) . . ?
C3B Mo1 P1 91.4(4) . . ?
C3B Mo1 C7B 35.1(6) . . ?
C7B Mo1 Mo2 126.7(4) . . ?
C7B Mo1 P2 105.9(5) . . ?
C7B Mo1 P1 75.0(4) . . ?
P2 Mo2 Mo1 53.26(3) . . ?
P2 Mo2 P1 49.64(4) . . ?
P1 Mo2 Mo1 51.05(3) . . ?
C9 Mo2 Mo1 87.11(18) . . ?
C9 Mo2 P2 121.29(18) . . ?
C9 Mo2 P1 72.09(17) . . ?
C9 Mo2 C11 115.5(3) . . ?
C9 Mo2 C14 93.7(3) . . ?
C9 Mo2 C10 87.4(3) . . ?
C9 Mo2 C12 146.3(3) . . ?
C9 Mo2 C13 127.9(3) . . ?
C8 Mo2 Mo1 128.27(19) . . ?
C8 Mo2 P2 86.32(18) . . ?
C8 Mo2 P1 78.9(2) . . ?
C8 Mo2 C9 89.5(3) . . ?
C8 Mo2 C11 139.4(3) . . ?
C8 Mo2 C14 89.9(3) . . ?
C8 Mo2 C10 124.7(3) . . ?
C8 Mo2 C12 108.7(3) . . ?
C8 Mo2 C13 80.8(3) . . ?
C11 Mo2 Mo1 86.60(18) . . ?
C11 Mo2 P2 104.44(18) . . ?
C11 Mo2 P1 137.41(18) . . ?
C14 Mo2 Mo1 141.82(19) . . ?
C14 Mo2 P2 144.7(2) . . ?
C14 Mo2 P1 161.79(19) . . ?
C14 Mo2 C11 58.7(2) . . ?
C14 Mo2 C10 35.4(3) . . ?
C14 Mo2 C12 59.4(3) . . ?
C14 Mo2 C13 35.9(3) . . ?
C10 Mo2 Mo1 106.71(19) . . ?
C10 Mo2 P2 139.59(19) . . ?
C10 Mo2 P1 149.2(2) . . ?
C10 Mo2 C11 35.3(3) . . ?
C10 Mo2 C12 58.9(3) . . ?
C12 Mo2 Mo1 101.89(18) . . ?
C12 Mo2 P2 88.80(17) . . ?
C12 Mo2 P1 137.89(17) . . ?
C12 Mo2 C11 34.8(3) . . ?
C13 Mo2 Mo1 137.52(19) . . ?
C13 Mo2 P2 109.08(19) . . ?
C13 Mo2 P1 151.3(2) . . ?
C13 Mo2 C11 58.6(3) . . ?
C13 Mo2 C10 59.2(3) . . ?
C13 Mo2 C12 35.7(3) . . ?
P4 Mo4 Mo3 51.50(3) . . ?
P3 Mo4 Mo3 53.38(3) . . ?
P3 Mo4 P4 49.76(4) . . ?
C23 Mo4 Mo3 129.82(18) . . ?
C23 Mo4 P4 79.85(18) . . ?
C23 Mo4 P3 87.84(17) . . ?
C23 Mo4 C28 140.0(3) . . ?
C23 Mo4 C22 89.4(2) . . ?
C23 Mo4 C27 109.6(3) . . ?
C23 Mo4 C24 125.0(3) . . ?
C23 Mo4 C25 89.9(3) . . ?
C23 Mo4 C26 81.8(3) . . ?
C28 Mo4 Mo3 84.94(18) . . ?
C28 Mo4 P4 136.19(18) . . ?
C28 Mo4 P3 103.44(17) . . ?
C28 Mo4 C27 35.0(3) . . ?
C22 Mo4 Mo3 88.23(18) . . ?
C22 Mo4 P4 73.91(19) . . ?
C22 Mo4 P3 123.16(19) . . ?
C22 Mo4 C28 114.0(3) . . ?
C22 Mo4 C27 145.1(3) . . ?
C22 Mo4 C24 86.0(3) . . ?
C22 Mo4 C25 92.5(3) . . ?
C22 Mo4 C26 127.2(3) . . ?
C27 Mo4 Mo3 100.17(19) . . ?
C27 Mo4 P4 136.69(19) . . ?
C27 Mo4 P3 87.59(19) . . ?
C24 Mo4 Mo3 104.8(2) . . ?
C24 Mo4 P4 148.4(2) . . ?
C24 Mo4 P3 138.1(2) . . ?
C24 Mo4 C28 34.8(3) . . ?
C24 Mo4 C27 59.1(3) . . ?
C25 Mo4 Mo3 140.3(2) . . ?
C25 Mo4 P4 162.94(19) . . ?
C25 Mo4 P3 144.2(2) . . ?
C25 Mo4 C28 58.6(3) . . ?
C25 Mo4 C27 59.7(3) . . ?
C25 Mo4 C24 35.8(3) . . ?
C25 Mo4 C26 36.0(3) . . ?
C26 Mo4 Mo3 135.6(2) . . ?
C26 Mo4 P4 151.8(2) . . ?
C26 Mo4 P3 108.5(2) . . ?
C26 Mo4 C28 58.2(3) . . ?
C26 Mo4 C27 35.4(3) . . ?
C26 Mo4 C24 59.3(3) . . ?
Mo5 As1 Ag1 109.86(2) . . ?
Mo6 As1 Ag1 118.04(3) . . ?
Mo6 As1 Mo5 72.412(18) . . ?
As2 As1 Ag1 64.87(2) . . ?
As2 As1 Mo5 61.03(2) . . ?
As2 As1 Mo6 64.36(2) . . ?
Mo5 As2 Ag1 110.23(2) . . ?
Mo5 As2 Mo6 72.167(19) . . ?
Mo6 As2 Ag1 112.78(2) . . ?
As1 As2 Ag1 62.22(2) . . ?
As1 As2 Mo5 64.21(2) . . ?
As1 As2 Mo6 60.49(2) . . ?
Mo7 As3 Ag2 111.94(2) . . ?
Mo8 As3 Ag2 114.30(3) . . ?
Mo8 As3 Mo7 72.067(19) . . ?
As4 As3 Ag2 63.70(2) . . ?
As4 As3 Mo7 60.82(2) . . ?
As4 As3 Mo8 64.41(2) . . ?
Mo7 As4 Ag2 115.11(3) . . ?
Mo7 As4 Mo8 72.092(18) . . ?
Mo8 As4 Ag2 111.92(2) . . ?
As3 As4 Ag2 64.17(2) . . ?
As3 As4 Mo7 64.49(2) . . ?
As3 As4 Mo8 60.80(2) . . ?
Ag2 P4 Mo4 122.49(6) . . ?
Mo3 P4 Ag2 162.56(6) . . ?
Mo3 P4 Mo4 74.49(4) . . ?
P3 P4 Ag2 115.95(7) . . ?
P3 P4 Mo3 66.32(5) . . ?
P3 P4 Mo4 62.40(5) . . ?
Ag2 P2 Mo1 142.33(6) . . ?
Mo2 P2 Ag2 142.57(6) . . ?
Mo2 P2 Mo1 75.04(4) . . ?
P1 P2 Ag2 120.96(7) . . ?
P1 P2 Mo1 63.06(5) . . ?
P1 P2 Mo2 66.40(5) . . ?
Ag1 P1 Mo2 121.12(6) . . ?
Mo1 P1 Ag1 162.34(7) . . ?
Mo1 P1 Mo2 75.59(4) . . ?
P2 P1 Ag1 123.53(7) . . ?
P2 P1 Mo1 67.05(5) . . ?
P2 P1 Mo2 63.96(5) . . ?
Ag1 P3 Mo3 141.75(6) . . ?
Mo4 P3 Ag1 141.31(6) . . ?
Mo4 P3 Mo3 75.54(4) . . ?
P4 P3 Ag1 129.10(7) . . ?
P4 P3 Mo3 63.81(5) . . ?
P4 P3 Mo4 67.84(5) . . ?
O22 Al2 O24B 106.6(5) . . ?
O22 Al2 O24A 112.5(4) . . ?
O22 Al2 O21 107.3(2) . . ?
O22 Al2 O23B 111.2(9) . . ?
O24B Al2 O23B 119.0(7) . . ?
O24A Al2 O21 116.5(4) . . ?
O23A Al2 O22 108.8(6) . . ?
O23A Al2 O24A 110.8(6) . . ?
O23A Al2 O21 100.0(5) . . ?
O21 Al2 O24B 103.3(5) . . ?
O21 Al2 O23B 108.6(7) . . ?
O23C Al2 O22 116.2(5) . . ?
O23C Al2 O21 115.9(4) . . ?
O17 Al1 O18A 106.7(4) . . ?
O17 Al1 O18B 113.0(4) . . ?
O17 Al1 O20A 113.5(4) . . ?
O19 Al1 O17 108.7(2) . . ?
O19 Al1 O18A 103.6(4) . . ?
O19 Al1 O18B 116.7(5) . . ?
O19 Al1 O20A 116.5(4) . . ?
O18B Al1 O20A 87.3(6) . . ?
O20B Al1 O17 108.3(4) . . ?
O20B Al1 O18A 126.2(5) . . ?
O20B Al1 O19 102.2(4) . . ?
C77 O22 Al2 150.3(4) . . ?
C57 O17 Al1 151.2(4) . . ?
O12 C37 Mo6 176.0(5) . . ?
C61 O18A Al1 150.4(9) . . ?
O13 C43 Mo7 177.9(5) . . ?
O10 C30 Mo5 176.8(6) . . ?
O14 C44 Mo7 176.4(5) . . ?
O5 C15 Mo3 178.7(5) . . ?
O4 C9 Mo2 179.6(6) . . ?
O8 C23 Mo4 176.1(6) . . ?
C70 C69 C72B 113.2(8) . . ?
C72A C69 C70 103.3(8) . . ?
C71A C69 C70 109.0(14) . . ?
C71A C69 C72A 107.9(14) . . ?
O20B C69 C70 112.3(6) . . ?
O20B C69 C72A 127.7(9) . . ?
O20B C69 C71A 95.5(12) . . ?
O20A C69 C70 107.6(7) . . ?
O20A C69 C72B 86.3(9) . . ?
O20A C69 C71B 129.1(19) . . ?
C71B C69 C70 110(2) . . ?
C71B C69 C72B 108(2) . . ?
Mo4 C28 H28 123.0 . . ?
C27 C28 Mo4 72.5(4) . . ?
C27 C28 H28 125.1 . . ?
C24 C28 Mo4 71.0(4) . . ?
C24 C28 H28 125.1 . . ?
C24 C28 C27 109.8(7) . . ?
O16 C51 Mo8 176.5(7) . . ?
O3 C8 Mo2 176.8(7) . . ?
O22 C77 C80 110.8(4) . . ?
O22 C77 C79 108.3(4) . . ?
O22 C77 C78 110.7(5) . . ?
C79 C77 C80 108.8(4) . . ?
C78 C77 C80 109.1(5) . . ?
C78 C77 C79 109.0(5) . . ?
O11 C36 Mo6 176.4(6) . . ?
O1 C1 Mo1 178.4(6) . . ?
O7 C22 Mo4 178.5(6) . . ?
Mo4 C27 H27 122.2 . . ?
C28 C27 Mo4 72.5(4) . . ?
C28 C27 H27 127.0 . . ?
C28 C27 C26 105.9(7) . . ?
C26 C27 Mo4 70.1(4) . . ?
C26 C27 H27 127.0 . . ?
Mo7 C49 H49 123.0 . . ?
C48 C49 Mo7 71.0(3) . . ?
C48 C49 H49 126.0 . . ?
C48 C49 C45 108.0(5) . . ?
C45 C49 Mo7 71.6(3) . . ?
C45 C49 H49 126.0 . . ?
F29 C70 F30 105.1(6) . . ?
F29 C70 F28 109.0(6) . . ?
F29 C70 C69 111.9(5) . . ?
F30 C70 C69 109.7(6) . . ?
F28 C70 F30 106.7(6) . . ?
F28 C70 C69 114.0(5) . . ?
Mo6 C42 H42 123.5 . . ?
C41 C42 Mo6 71.4(3) . . ?
C41 C42 H42 126.1 . . ?
C38 C42 Mo6 70.6(3) . . ?
C38 C42 H42 126.1 . . ?
C38 C42 C41 107.8(6) . . ?
Mo4 C24 H24 120.9 . . ?
C28 C24 Mo4 74.2(4) . . ?
C28 C24 H24 126.2 . . ?
C28 C24 C25 107.6(8) . . ?
C25 C24 Mo4 70.4(4) . . ?
C25 C24 H24 126.2 . . ?
Mo5 C31 H31 119.6 . . ?
C35 C31 Mo5 71.8(3) . . ?
C35 C31 H31 126.1 . . ?
C32 C31 Mo5 74.3(3) . . ?
C32 C31 H31 126.1 . . ?
C32 C31 C35 107.8(6) . . ?
O9 C29 Mo5 175.3(5) . . ?
Mo5 C33 H33 123.0 . . ?
C34 C33 Mo5 70.6(3) . . ?
C34 C33 H33 126.2 . . ?
C34 C33 C32 107.5(6) . . ?
C32 C33 Mo5 71.9(3) . . ?
C32 C33 H33 126.2 . . ?
Mo2 C11 H11 123.9 . . ?
C10 C11 Mo2 70.3(4) . . ?
C10 C11 H11 126.0 . . ?
C12 C11 Mo2 71.4(4) . . ?
C12 C11 H11 126.0 . . ?
C12 C11 C10 108.0(7) . . ?
F53 C80 C77 111.5(5) . . ?
F52 C80 F53 107.1(5) . . ?
F52 C80 F54 107.7(5) . . ?
F52 C80 C77 109.9(5) . . ?
F54 C80 F53 108.0(5) . . ?
F54 C80 C77 112.5(5) . . ?
O6 C16 Mo3 176.9(7) . . ?
Mo6 C41 H41 121.2 . . ?
C42 C41 Mo6 73.6(3) . . ?
C42 C41 H41 125.4 . . ?
C40 C41 Mo6 71.5(3) . . ?
C40 C41 C42 109.2(6) . . ?
C40 C41 H41 125.4 . . ?
O17 C57 C59 110.9(5) . . ?
O17 C57 C58 111.0(6) . . ?
O17 C57 C60 107.7(5) . . ?
C58 C57 C59 108.5(5) . . ?
C58 C57 C60 109.3(5) . . ?
C60 C57 C59 109.4(6) . . ?
Mo7 C47 H47 119.8 . . ?
C46 C47 Mo7 72.4(3) . . ?
C46 C47 H47 126.3 . . ?
C48 C47 Mo7 73.4(3) . . ?
C48 C47 H47 126.3 . . ?
C48 C47 C46 107.4(6) . . ?
Mo6 C38 H38 120.6 . . ?
C42 C38 Mo6 74.6(3) . . ?
C42 C38 H38 125.7 . . ?
C42 C38 C39 108.7(6) . . ?
C39 C38 Mo6 70.9(3) . . ?
C39 C38 H38 125.7 . . ?
Mo8 C56 H56 121.7 . . ?
C55 C56 Mo8 73.1(4) . . ?
C55 C56 H56 126.7 . . ?
C52 C56 Mo8 70.3(4) . . ?
C52 C56 H56 126.7 . . ?
C52 C56 C55 106.6(7) . . ?
Mo7 C46 H46 120.4 . . ?
C47 C46 Mo7 71.5(3) . . ?
C47 C46 H46 126.1 . . ?
C45 C46 Mo7 73.8(3) . . ?
C45 C46 C47 107.8(5) . . ?
C45 C46 H46 126.1 . . ?
O15 C50 Mo8 177.4(7) . . ?
Mo7 C48 H48 121.0 . . ?
C49 C48 Mo7 74.2(3) . . ?
C49 C48 C47 108.6(5) . . ?
C49 C48 H48 125.7 . . ?
C47 C48 Mo7 70.9(3) . . ?
C47 C48 H48 125.7 . . ?
Mo3 C19 H19 121.6 . . ?
C18 C19 Mo3 70.1(4) . . ?
C18 C19 H19 125.8 . . ?
C20 C19 Mo3 74.1(4) . . ?
C20 C19 H19 125.8 . . ?
C20 C19 C18 108.5(7) . . ?
Mo3 C21 H21 120.7 . . ?
C17 C21 Mo3 70.9(4) . . ?
C17 C21 H21 125.2 . . ?
C20 C21 Mo3 74.9(4) . . ?
C20 C21 H21 125.2 . . ?
C20 C21 C17 109.7(8) . . ?
Mo2 C14 H14 119.1 . . ?
C10 C14 Mo2 74.0(4) . . ?
C10 C14 H14 125.7 . . ?
C10 C14 C13 108.7(7) . . ?
C13 C14 Mo2 73.1(4) . . ?
C13 C14 H14 125.7 . . ?
F51 C79 F49 106.7(5) . . ?
F51 C79 F50 107.5(5) . . ?
F51 C79 C77 110.7(5) . . ?
F49 C79 F50 108.4(5) . . ?
F49 C79 C77 110.8(5) . . ?
F50 C79 C77 112.5(5) . . ?
Mo5 C34 H34 120.2 . . ?
C33 C34 Mo5 74.6(3) . . ?
C33 C34 H34 125.8 . . ?
C33 C34 C35 108.4(6) . . ?
C35 C34 Mo5 71.2(3) . . ?
C35 C34 H34 125.8 . . ?
Mo8 C55 H55 123.2 . . ?
C56 C55 Mo8 71.5(4) . . ?
C56 C55 H55 125.8 . . ?
C54 C55 Mo8 71.2(4) . . ?
C54 C55 C56 108.4(7) . . ?
C54 C55 H55 125.8 . . ?
Mo5 C35 H35 120.2 . . ?
C31 C35 Mo5 72.4(3) . . ?
C31 C35 C34 107.6(6) . . ?
C31 C35 H35 126.2 . . ?
C34 C35 Mo5 73.1(3) . . ?
C34 C35 H35 126.2 . . ?
Mo7 C45 H45 121.6 . . ?
C49 C45 Mo7 73.4(3) . . ?
C49 C45 H45 125.9 . . ?
C46 C45 Mo7 70.8(3) . . ?
C46 C45 C49 108.3(6) . . ?
C46 C45 H45 125.9 . . ?
Mo4 C25 H25 119.0 . . ?
C24 C25 Mo4 73.7(4) . . ?
C24 C25 H25 126.2 . . ?
C24 C25 C26 107.7(7) . . ?
C26 C25 Mo4 73.0(4) . . ?
C26 C25 H25 126.2 . . ?
Mo2 C10 H10 120.7 . . ?
C11 C10 Mo2 74.5(4) . . ?
C11 C10 H10 126.0 . . ?
C14 C10 Mo2 70.6(4) . . ?
C14 C10 C11 108.0(7) . . ?
C14 C10 H10 126.0 . . ?
Mo8 C52 H52 120.0 . . ?
C56 C52 Mo8 74.3(3) . . ?
C56 C52 H52 125.6 . . ?
C53 C52 Mo8 71.9(4) . . ?
C53 C52 C56 108.8(7) . . ?
C53 C52 H52 125.6 . . ?
Cl2 C89 H89A 109.4 . . ?
Cl2 C89 H89B 109.4 . . ?
Cl1 C89 Cl2 111.3(6) . . ?
Cl1 C89 H89A 109.4 . . ?
Cl1 C89 H89B 109.4 . . ?
H89A C89 H89B 108.0 . . ?
Mo6 C40 H40 121.1 . . ?
C41 C40 Mo6 73.6(3) . . ?
C41 C40 H40 126.3 . . ?
C41 C40 C39 107.5(6) . . ?
C39 C40 Mo6 70.8(4) . . ?
C39 C40 H40 126.3 . . ?
Mo5 C32 H32 122.1 . . ?
C31 C32 Mo5 70.5(3) . . ?
C31 C32 C33 108.6(6) . . ?
C31 C32 H32 125.7 . . ?
C33 C32 Mo5 73.3(3) . . ?
C33 C32 H32 125.7 . . ?
Mo6 C39 H39 119.7 . . ?
C38 C39 Mo6 73.1(3) . . ?
C38 C39 C40 106.8(6) . . ?
C38 C39 H39 126.6 . . ?
C40 C39 Mo6 72.6(3) . . ?
C40 C39 H39 126.6 . . ?
Mo3 C18 H18 119.4 . . ?
C19 C18 Mo3 74.2(4) . . ?
C19 C18 H18 126.0 . . ?
C17 C18 Mo3 72.3(4) . . ?
C17 C18 C19 107.9(8) . . ?
C17 C18 H18 126.0 . . ?
F5 C59 C57 110.8(6) . . ?
F4 C59 F5 107.1(7) . . ?
F4 C59 F6 108.7(7) . . ?
F4 C59 C57 113.9(6) . . ?
F6 C59 F5 107.0(6) . . ?
F6 C59 C57 109.1(6) . . ?
Mo2 C12 H12 121.3 . . ?
C11 C12 Mo2 73.8(4) . . ?
C11 C12 H12 126.1 . . ?
C11 C12 C13 107.7(7) . . ?
C13 C12 Mo2 70.6(4) . . ?
C13 C12 H12 126.1 . . ?
Mo2 C13 H13 120.9 . . ?
C14 C13 Mo2 71.0(4) . . ?
C14 C13 C12 107.7(7) . . ?
C14 C13 H13 126.2 . . ?
C12 C13 Mo2 73.8(4) . . ?
C12 C13 H13 126.2 . . ?
F16A C64 C61 102.3(7) . . ?
F17A C64 F16A 99.7(9) . . ?
F17A C64 C61 117.4(7) . . ?
F17A C64 F18 120.5(8) . . ?
F16B C64 C61 120.6(9) . . ?
F16B C64 F17B 106.1(11) . . ?
F16B C64 F18 109.5(10) . . ?
F17B C64 C61 108.1(8) . . ?
F18 C64 F16A 98.9(7) . . ?
F18 C64 C61 112.7(6) . . ?
F18 C64 F17B 97.0(8) . . ?
Mo8 C53 H53 119.7 . . ?
C52 C53 Mo8 72.3(4) . . ?
C52 C53 H53 126.4 . . ?
C52 C53 C54 107.3(7) . . ?
C54 C53 Mo8 73.5(4) . . ?
C54 C53 H53 126.4 . . ?
Mo3 C17 H17 120.0 . . ?
C21 C17 Mo3 73.5(4) . . ?
C21 C17 H17 126.4 . . ?
C18 C17 Mo3 72.0(4) . . ?
C18 C17 C21 107.3(8) . . ?
C18 C17 H17 126.4 . . ?
Mo3 C20 H20 123.5 . . ?
C19 C20 Mo3 71.0(4) . . ?
C19 C20 H20 126.7 . . ?
C21 C20 Mo3 70.5(4) . . ?
C21 C20 C19 106.7(8) . . ?
C21 C20 H20 126.7 . . ?
Mo4 C26 H26 120.7 . . ?
C27 C26 Mo4 74.5(4) . . ?
C27 C26 H26 125.5 . . ?
C25 C26 Mo4 71.0(5) . . ?
C25 C26 C27 109.0(8) . . ?
C25 C26 H26 125.5 . . ?
Mo1 C6A H6A 120.2 . . ?
C5A C6A Mo1 75.0(7) . . ?
C5A C6A H6A 125.9 . . ?
C5A C6A C7A 108.1(11) . . ?
C7A C6A Mo1 70.7(7) . . ?
C7A C6A H6A 125.9 . . ?
Cl4A C90A Cl3A 110.8(8) . . ?
Cl4A C90A H90A 109.5 . . ?
Cl4A C90A H90B 109.5 . . ?
Cl3A C90A H90A 109.5 . . ?
Cl3A C90A H90B 109.5 . . ?
H90A C90A H90B 108.1 . . ?
Mo8 C54 H54 120.8 . . ?
C55 C54 Mo8 74.6(4) . . ?
C55 C54 C53 108.9(7) . . ?
C55 C54 H54 125.5 . . ?
C53 C54 Mo8 70.8(4) . . ?
C53 C54 H54 125.5 . . ?
O2A C2A Mo1 176.7(12) . . ?
F3 C58 F2 107.8(7) . . ?
F3 C58 F1 107.0(7) . . ?
F3 C58 C57 112.7(7) . . ?
F2 C58 F1 107.9(7) . . ?
F2 C58 C57 110.9(6) . . ?
F1 C58 C57 110.3(6) . . ?
Mo1 C5A H5A 122.3 . . ?
C6A C5A Mo1 70.8(8) . . ?
C6A C5A H5A 125.6 . . ?
C6A C5A C4A 108.7(14) . . ?
C4A C5A Mo1 72.9(7) . . ?
C4A C5A H5A 125.6 . . ?
F8 C60 F9 107.9(6) . . ?
F8 C60 F7 107.4(6) . . ?
F8 C60 C57 111.2(6) . . ?
F9 C60 F7 107.7(6) . . ?
F9 C60 C57 112.3(6) . . ?
F7 C60 C57 110.2(6) . . ?
F36A C72A C69 109.0(14) . . ?
F35A C72A C69 112.3(15) . . ?
F35A C72A F36A 109.9(15) . . ?
F35A C72A F34A 107.5(17) . . ?
F34A C72A C69 113.0(13) . . ?
F34A C72A F36A 104.8(16) . . ?
F32A C71A C69 115(2) . . ?
F32A C71A F33A 106(3) . . ?
F32A C71A F31 111(3) . . ?
F33A C71A C69 105(2) . . ?
F33A C71A F31 112(2) . . ?
F31 C71A C69 107(2) . . ?
Mo1 C7A H7A 118.4 . . ?
C6A C7A Mo1 73.9(7) . . ?
C6A C7A H7A 126.1 . . ?
C6A C7A C3A 107.7(13) . . ?
C3A C7A Mo1 73.5(8) . . ?
C3A C7A H7A 126.1 . . ?
F13A C63A C61 112.1(14) . . ?
F14A C63A F13A 106.6(16) . . ?
F14A C63A F15A 105.3(16) . . ?
F14A C63A C61 116.7(15) . . ?
F15A C63A F13A 104.5(15) . . ?
F15A C63A C61 110.8(15) . . ?
F47 C78 F46 107.7(6) . . ?
F47 C78 C77 110.5(6) . . ?
F48 C78 F47 108.4(7) . . ?
F48 C78 F46 107.8(7) . . ?
F48 C78 C77 111.0(6) . . ?
F46 C78 C77 111.3(6) . . ?
Mo1 C4A H4A 122.7 . . ?
C5A C4A Mo1 72.1(7) . . ?
C5A C4A H4A 126.2 . . ?
C3A C4A Mo1 70.7(6) . . ?
C3A C4A C5A 107.7(13) . . ?
C3A C4A H4A 126.2 . . ?
F12A C62A C61 106(2) . . ?
F10A C62A F12A 106.6(19) . . ?
F10A C62A C61 114.0(14) . . ?
F11A C62A F12A 109(2) . . ?
F11A C62A F10A 108(2) . . ?
F11A C62A C61 113.0(17) . . ?
Mo1 C3A H3A 120.3 . . ?
C7A C3A Mo1 70.1(7) . . ?
C7A C3A H3A 126.1 . . ?
C4A C3A Mo1 75.2(6) . . ?
C4A C3A C7A 107.7(12) . . ?
C4A C3A H3A 126.1 . . ?
O2B C2B Mo1 169.5(16) . . ?
Mo1 C6B H6B 120.3 . . ?
C5B C6B Mo1 70.8(11) . . ?
C5B C6B H6B 125.6 . . ?
C5B C6B C7B 108.8(17) . . ?
C7B C6B Mo1 75.1(11) . . ?
C7B C6B H6B 125.6 . . ?
Mo1 C5B H5B 119.6 . . ?
C6B C5B Mo1 74.2(11) . . ?
C6B C5B H5B 126.0 . . ?
C6B C5B C4B 108.0(17) . . ?
C4B C5B Mo1 72.1(8) . . ?
C4B C5B H5B 126.0 . . ?
Mo1 C4B H4B 118.1 . . ?
C5B C4B Mo1 71.9(8) . . ?
C5B C4B H4B 125.5 . . ?
C3B C4B Mo1 76.3(9) . . ?
C3B C4B C5B 109.0(15) . . ?
C3B C4B H4B 125.5 . . ?
Mo1 C3B H3B 123.4 . . ?
C4B C3B Mo1 68.9(9) . . ?
C4B C3B H3B 126.6 . . ?
C4B C3B C7B 106.7(15) . . ?
C7B C3B Mo1 72.8(9) . . ?
C7B C3B H3B 126.6 . . ?
Mo1 C7B H7B 123.1 . . ?
C6B C7B Mo1 70.2(11) . . ?
C6B C7B C3B 107.4(16) . . ?
C6B C7B H7B 126.3 . . ?
C3B C7B Mo1 72.1(10) . . ?
C3B C7B H7B 126.3 . . ?
C65 O19 Al1 147.5(4) . . ?
O19 C65 C68A 104.7(6) . . ?
O19 C65 C67A 114.0(7) . . ?
O19 C65 C66A 112.3(6) . . ?
O19 C65 C67B 100.4(7) . . ?
O19 C65 C68B 110.9(6) . . ?
O19 C65 C66B 115.7(7) . . ?
C68A C65 C66A 103.5(8) . . ?
C67A C65 C68A 112.5(9) . . ?
C67A C65 C66A 109.3(7) . . ?
C67B C65 C68B 104.5(8) . . ?
C66B C65 C67B 112.9(9) . . ?
C66B C65 C68B 111.3(9) . . ?
F26A C68A C65 114.5(12) . . ?
F26A C68A F27A 108.7(13) . . ?
F27A C68A C65 110.8(11) . . ?
F25A C68A C65 108.2(11) . . ?
F25A C68A F26A 106.7(14) . . ?
F25A C68A F27A 107.6(12) . . ?
F22A C67A C65 112.0(9) . . ?
F22A C67A F23A 109.9(18) . . ?
F22A C67A F24A 107.5(13) . . ?
F23A C67A C65 108.0(13) . . ?
F24A C67A C65 114.1(10) . . ?
F24A C67A F23A 105.0(15) . . ?
F19A C66A C65 109.4(10) . . ?
F19A C66A F20 109.1(10) . . ?
F21 C66A C65 107.9(8) . . ?
F21 C66A F19A 112.8(11) . . ?
F21 C66A F20 110.0(10) . . ?
F20 C66A C65 107.4(8) . . ?
F23B C67B C65 113.1(10) . . ?
F23B C67B F24B 109.1(14) . . ?
F23B C67B F22B 106.3(14) . . ?
F24B C67B C65 113.7(11) . . ?
F24B C67B F22B 105.9(12) . . ?
F22B C67B C65 108.3(11) . . ?
F25B C68B C65 112.1(10) . . ?
F26B C68B C65 114.2(19) . . ?
F26B C68B F25B 110.2(19) . . ?
F27B C68B C65 111.3(12) . . ?
F27B C68B F25B 107.8(13) . . ?
F27B C68B F26B 100.6(19) . . ?
F21 C66B C65 108.4(10) . . ?
F20 C66B C65 114.8(10) . . ?
F20 C66B F21 99.1(10) . . ?
F19B C66B C65 112.9(13) . . ?
F19B C66B F21 112.3(14) . . ?
F19B C66B F20 108.6(12) . . ?
C61 O18B Al1 152.9(9) . . ?
O18A C61 C64 115.1(7) . . ?
O18A C61 C63A 106.1(10) . . ?
O18A C61 C62A 107.5(9) . . ?
C64 C61 C62A 112.7(11) . . ?
C64 C61 C63B 111.9(10) . . ?
C63A C61 C64 104.7(10) . . ?
C63A C61 C62A 110.4(14) . . ?
O18B C61 C64 104.4(7) . . ?
O18B C61 C63B 110.7(11) . . ?
O18B C61 C62B 110.3(10) . . ?
C62B C61 C64 106.8(12) . . ?
C62B C61 C63B 112.4(14) . . ?
F14B C63B C61 104.9(17) . . ?
F14B C63B F15B 111(2) . . ?
F14B C63B F13B 111(2) . . ?
F15B C63B C61 108.8(17) . . ?
F13B C63B C61 108(2) . . ?
F13B C63B F15B 112(2) . . ?
F12B C62B C61 115(2) . . ?
F12B C62B F10B 103.6(19) . . ?
F12B C62B F11B 106(2) . . ?
F10B C62B C61 113.3(16) . . ?
F11B C62B C61 112.9(16) . . ?
F11B C62B F10B 106(2) . . ?
C85 O24B Al2 150.1(11) . . ?
F64A C86A F66A 108.8(17) . . ?
F64A C86A F65A 107.0(18) . . ?
F64A C86A C85 114.4(17) . . ?
F66A C86A F65A 101.5(17) . . ?
F66A C86A C85 113.8(15) . . ?
F65A C86A C85 110.2(16) . . ?
F69A C87A C85 105.3(16) . . ?
F68A C87A F69A 97.7(15) . . ?
F68A C87A C85 115.0(14) . . ?
F67A C87A F69A 102.3(17) . . ?
F67A C87A F68A 110.9(18) . . ?
F67A C87A C85 121.5(15) . . ?
F72A C88A F71A 104.9(13) . . ?
F72A C88A F70A 121.0(15) . . ?
F72A C88A C85 107.3(11) . . ?
F71A C88A F70A 108.0(13) . . ?
F71A C88A C85 108.1(11) . . ?
F70A C88A C85 107.0(13) . . ?
O24B C85 C86B 129.7(11) . . ?
O24B C85 C87B 107.8(10) . . ?
O24B C85 C88B 89.1(9) . . ?
C86A C85 C87A 104.3(14) . . ?
C88A C85 C86A 109.7(11) . . ?
C88A C85 C87A 111.2(12) . . ?
C86B C85 C87B 113.2(12) . . ?
C86B C85 C88B 100.3(11) . . ?
C87B C85 C88B 112.7(13) . . ?
O24A C85 C86A 94.3(10) . . ?
O24A C85 C87A 97.8(10) . . ?
O24A C85 C88A 135.3(9) . . ?
F66B C86B C85 112.9(13) . . ?
F66B C86B F65B 102.5(14) . . ?
F64B C86B C85 115.7(14) . . ?
F64B C86B F66B 114.7(15) . . ?
F64B C86B F65B 104.8(15) . . ?
F65B C86B C85 104.4(13) . . ?
F69B C87B C85 108.8(16) . . ?
F69B C87B F68B 105.5(15) . . ?
F68B C87B C85 103.9(14) . . ?
F67B C87B C85 113.7(14) . . ?
F67B C87B F69B 114.5(17) . . ?
F67B C87B F68B 109.6(19) . . ?
F72B C88B C85 111.0(12) . . ?
F72B C88B F71B 104.0(14) . . ?
F72B C88B F70B 109.7(15) . . ?
F71B C88B C85 110.4(12) . . ?
F70B C88B C85 111.0(12) . . ?
F70B C88B F71B 110.5(15) . . ?
C85 O24A Al2 153.0(9) . . ?
C81 O23A Al2 145.6(11) . . ?
O23A C81 C84A 108.2(13) . . ?
O23A C81 C82A 108.6(14) . . ?
O23A C81 C83A 111.9(14) . . ?
C82A C81 C84A 110.4(17) . . ?
C82A C81 C83A 108.5(18) . . ?
C83A C81 C84A 109.3(15) . . ?
O23B C81 C84C 113(2) . . ?
O23B C81 C82C 119.1(15) . . ?
O23B C81 C83C 101.4(13) . . ?
C84C C81 C83C 96.4(18) . . ?
C82C C81 C84C 119(2) . . ?
C82C C81 C83C 101.8(15) . . ?
O23C C81 C84B 106.5(9) . . ?
O23C C81 C82B 116.7(12) . . ?
O23C C81 C83B 109.6(13) . . ?
C82B C81 C84B 105.7(12) . . ?
C82B C81 C83B 114.7(12) . . ?
C83B C81 C84B 102.2(14) . . ?
F63A C84A C81 107(2) . . ?
F63A C84A F62A 108(3) . . ?
F61A C84A C81 112(2) . . ?
F61A C84A F63A 114(3) . . ?
F61A C84A F62A 115(3) . . ?
F62A C84A C81 99(2) . . ?
F57A C82A C81 117(2) . . ?
F57A C82A F56A 103(3) . . ?
F57A C82A F55A 107(4) . . ?
F56A C82A C81 105(3) . . ?
F55A C82A C81 112(3) . . ?
F55A C82A F56A 114(3) . . ?
F59A C83A C81 111(2) . . ?
F59A C83A F58A 108(3) . . ?
F59A C83A F60A 110(3) . . ?
F58A C83A C81 113(2) . . ?
F60A C83A C81 108(2) . . ?
F60A C83A F58A 107(3) . . ?
C73B O21 Al2 153.2(6) . . ?
C73A O21 Al2 145.7(7) . . ?
O21 C73B C75 111.2(13) . . ?
O21 C73B C76B 108.7(16) . . ?
O21 C73B C74B 110.0(13) . . ?
C75 C73B C74B 106.2(11) . . ?
C76B C73B C75 112.1(15) . . ?
C76B C73B C74B 108.7(16) . . ?
F40B C75 C73B 111.2(11) . . ?
F40B C75 F42B 107.2(11) . . ?
F42B C75 C73B 105.2(11) . . ?
F41B C75 C73B 112.5(18) . . ?
F41B C75 F40B 113.3(17) . . ?
F41B C75 F42B 107.0(13) . . ?
F41A C75 C73A 108.2(17) . . ?
F40A C75 C73A 112.6(15) . . ?
F40A C75 F41A 103.0(17) . . ?
F42A C75 C73A 116.6(13) . . ?
F42A C75 F41A 110.8(14) . . ?
F42A C75 F40A 104.9(15) . . ?
F43B C76B C73B 108.2(17) . . ?
F45B C76B C73B 108(2) . . ?
F45B C76B F43B 108.0(19) . . ?
F44B C76B C73B 112.3(18) . . ?
F44B C76B F43B 109(2) . . ?
F44B C76B F45B 110(2) . . ?
F37B C74B C73B 111.0(10) . . ?
F39B C74B C73B 111.3(13) . . ?
F39B C74B F37B 107.0(11) . . ?
F38B C74B C73B 112.7(13) . . ?
F38B C74B F37B 107.3(12) . . ?
F38B C74B F39B 107.2(11) . . ?
O21 C73A C75 112.1(12) . . ?
O21 C73A C76A 108.8(14) . . ?
O21 C73A C74A 108.8(13) . . ?
C76A C73A C75 105.4(12) . . ?
C76A C73A C74A 109.8(17) . . ?
C74A C73A C75 111.9(13) . . ?
F45A C76A C73A 110.1(16) . . ?
F44A C76A C73A 112.7(16) . . ?
F44A C76A F45A 109.4(18) . . ?
F44A C76A F43A 108.1(14) . . ?
F43A C76A C73A 108.2(13) . . ?
F43A C76A F45A 108.2(18) . . ?
F38A C74A C73A 111.2(13) . . ?
F38A C74A F39A 107.7(19) . . ?
F37A C74A C73A 109.3(17) . . ?
F37A C74A F38A 109.5(18) . . ?
F37A C74A F39A 108.0(13) . . ?
F39A C74A C73A 111.0(18) . . ?
C81 O23B Al2 160(2) . . ?
F62B C84C C81 119(4) . . ?
F62B C84C F61B 112(4) . . ?
F62B C84C F63B 109(4) . . ?
F61B C84C C81 114(3) . . ?
F61B C84C F63B 101(3) . . ?
F63B C84C C81 98(2) . . ?
F56B C82C C81 119(3) . . ?
F56B C82C F57B 119(4) . . ?
F57B C82C C81 106(3) . . ?
F55B C82C C81 114(2) . . ?
F55B C82C F56B 98(3) . . ?
F55B C82C F57B 98(3) . . ?
F58B C83C C81 118.8(18) . . ?
F58B C83C F59B 101(3) . . ?
F60B C83C C81 119.2(19) . . ?
F60B C83C F58B 104.6(19) . . ?
F60B C83C F59B 98(2) . . ?
F59B C83C C81 112.2(19) . . ?
C81 O23C Al2 146.9(9) . . ?
F63C C84B C81 114.1(14) . . ?
F63C C84B F61C 105.1(14) . . ?
F61C C84B C81 116.0(14) . . ?
F62C C84B C81 112.1(11) . . ?
F62C C84B F63C 104.0(15) . . ?
F62C C84B F61C 104.5(13) . . ?
F57C C82B C81 110.4(18) . . ?
F57C C82B F56C 110(2) . . ?
F57C C82B F55C 107(2) . . ?
F56C C82B C81 113.6(18) . . ?
F56C C82B F55C 103(2) . . ?
F55C C82B C81 112.1(18) . . ?
F59C C83B C81 103.7(19) . . ?
F58C C83B C81 116(2) . . ?
F58C C83B F59C 109(2) . . ?
F60C C83B C81 112(2) . . ?
F60C C83B F59C 106(3) . . ?
F60C C83B F58C 110(3) . . ?
Cl3B C90B H90C 108.8 . . ?
Cl3B C90B H90D 108.8 . . ?
Cl3B C90B Cl4B 113.9(12) . . ?
H90C C90B H90D 107.7 . . ?
Cl4B C90B H90C 108.8 . . ?
Cl4B C90B H90D 108.8 . . ?
C69 O20B Al1 148.1(7) . . ?
C69 O20A Al1 147.2(9) . . ?
F35B C72B C69 111.2(13) . . ?
F34B C72B C69 106.9(13) . . ?
F34B C72B F35B 106.7(15) . . ?
F36B C72B C69 111.3(15) . . ?
F36B C72B F35B 109.6(17) . . ?
F36B C72B F34B 111.0(18) . . ?
F32B C71B C69 113(4) . . ?
F31 C71B C69 115(4) . . ?
F31 C71B F32B 107(4) . . ?
F31 C71B F33B 101(4) . . ?
F33B C71B C69 115(4) . . ?
F33B C71B F32B 106(4) . . ?

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
Mo7 C49 C48 C47 -62.9(4) . . . . ?
Mo7 C49 C45 C46 62.6(4) . . . . ?
Mo7 C47 C46 C45 -65.4(4) . . . . ?
Mo7 C47 C48 C49 65.1(4) . . . . ?
Mo7 C46 C45 C49 -64.3(4) . . . . ?
Mo5 C31 C35 C34 -65.1(4) . . . . ?
Mo5 C31 C32 C33 63.9(4) . . . . ?
Mo5 C33 C34 C35 63.6(4) . . . . ?
Mo5 C33 C32 C31 -62.1(4) . . . . ?
Mo5 C34 C35 C31 64.6(4) . . . . ?
Mo6 C42 C41 C40 -63.1(4) . . . . ?
Mo6 C42 C38 C39 63.1(4) . . . . ?
Mo6 C41 C40 C39 -63.1(4) . . . . ?
Mo6 C38 C39 C40 65.3(4) . . . . ?
Mo6 C40 C39 C38 -65.6(4) . . . . ?
Mo8 C56 C55 C54 -62.0(4) . . . . ?
Mo8 C56 C52 C53 64.1(5) . . . . ?
Mo8 C55 C54 C53 -62.9(5) . . . . ?
Mo8 C52 C53 C54 65.7(5) . . . . ?
Mo8 C53 C54 C55 65.4(5) . . . . ?
Mo3 C19 C18 C17 -64.9(5) . . . . ?
Mo3 C19 C20 C21 61.8(5) . . . . ?
Mo3 C21 C17 C18 64.6(5) . . . . ?
Mo3 C21 C20 C19 -62.2(5) . . . . ?
Mo3 C18 C17 C21 -65.6(5) . . . . ?
Mo1 C6A C5A C4A -63.4(10) . . . . ?
Mo1 C6A C7A C3A 66.3(9) . . . . ?
Mo1 C5A C4A C3A -62.2(8) . . . . ?
Mo1 C7A C3A C4A 66.4(8) . . . . ?
Mo1 C4A C3A C7A -63.0(9) . . . . ?
Mo1 C6B C5B C4B -64.7(11) . . . . ?
Mo1 C6B C7B C3B 62.9(12) . . . . ?
Mo1 C5B C4B C3B -67.9(12) . . . . ?
Mo1 C4B C3B C7B -63.4(12) . . . . ?
Mo1 C3B C7B C6B -61.7(12) . . . . ?
Mo2 C11 C10 C14 -63.1(5) . . . . ?
Mo2 C11 C12 C13 62.8(5) . . . . ?
Mo2 C14 C10 C11 65.6(5) . . . . ?
Mo2 C14 C13 C12 -65.2(5) . . . . ?
Mo2 C12 C13 C14 63.3(5) . . . . ?
Mo4 C28 C27 C26 -62.5(5) . . . . ?
Mo4 C28 C24 C25 63.0(5) . . . . ?
Mo4 C27 C26 C25 -63.0(5) . . . . ?
Mo4 C24 C25 C26 65.6(5) . . . . ?
Mo4 C25 C26 C27 65.3(5) . . . . ?
Al2 O22 C77 C80 38.9(10) . . . . ?
Al2 O22 C77 C79 158.2(7) . . . . ?
Al2 O22 C77 C78 -82.3(9) . . . . ?
Al2 O24B C85 C86B 68(3) . . . . ?
Al2 O24B C85 C87B -76(2) . . . . ?
Al2 O24B C85 C88B 171(2) . . . . ?
Al2 O23A C81 C84A 164(2) . . . . ?
Al2 O23A C81 C82A 44(3) . . . . ?
Al2 O23A C81 C83A -75(3) . . . . ?
Al2 O21 C73B C75 1(3) . . . . ?
Al2 O21 C73B C76B -123.1(17) . . . . ?
Al2 O21 C73B C74B 118.0(14) . . . . ?
Al2 O21 C73A C75 -49(2) . . . . ?
Al2 O21 C73A C76A -164.9(10) . . . . ?
Al2 O21 C73A C74A 75.5(18) . . . . ?
Al1 O17 C57 C59 54.4(12) . . . . ?
Al1 O17 C57 C58 -66.3(11) . . . . ?
Al1 O17 C57 C60 174.1(8) . . . . ?
Al1 O18A C61 C64 -34(2) . . . . ?
Al1 O18A C61 C63A -149.3(18) . . . . ?
Al1 O18A C61 C62A 93(2) . . . . ?
Al1 O19 C65 C68A -88.4(10) . . . . ?
Al1 O19 C65 C67A 148.2(9) . . . . ?
Al1 O19 C65 C66A 23.2(12) . . . . ?
Al1 O19 C65 C67B 103.2(10) . . . . ?
Al1 O19 C65 C68B -146.7(9) . . . . ?
Al1 O19 C65 C66B -18.7(13) . . . . ?
Al1 O18B C61 C64 79(2) . . . . ?
Al1 O18B C61 C63B -41(2) . . . . ?
Al1 O18B C61 C62B -166(2) . . . . ?
O22 Al2 O24B C85 74(2) . . . . ?
O22 Al2 O24A C85 -33(2) . . . . ?
O22 Al2 O23A C81 -74(2) . . . . ?
O22 Al2 O21 C73B 169.8(18) . . . . ?
O22 Al2 O21 C73A -159.4(14) . . . . ?
O22 Al2 O23B C81 -29(4) . . . . ?
O22 Al2 O23C C81 36.6(17) . . . . ?
O22 C77 C80 F53 -83.1(6) . . . . ?
O22 C77 C80 F52 35.5(6) . . . . ?
O22 C77 C80 F54 155.5(5) . . . . ?
O22 C77 C79 F51 43.1(6) . . . . ?
O22 C77 C79 F49 -75.1(6) . . . . ?
O22 C77 C79 F50 163.4(5) . . . . ?
O22 C77 C78 F47 44.5(7) . . . . ?
O22 C77 C78 F48 -75.8(8) . . . . ?
O22 C77 C78 F46 164.1(5) . . . . ?
O17 Al1 O18A C61 76.3(18) . . . . ?
O17 Al1 O19 C65 179.0(8) . . . . ?
O17 Al1 O18B C61 -36(2) . . . . ?
O17 Al1 O20B C69 -64.7(16) . . . . ?
O17 Al1 O20A C69 34.2(18) . . . . ?
O17 C57 C59 F5 -79.1(7) . . . . ?
O17 C57 C59 F4 160.2(7) . . . . ?
O17 C57 C59 F6 38.4(8) . . . . ?
O17 C57 C58 F3 165.3(5) . . . . ?
O17 C57 C58 F2 44.3(8) . . . . ?
O17 C57 C58 F1 -75.1(8) . . . . ?
O17 C57 C60 F8 43.2(8) . . . . ?
O17 C57 C60 F9 164.3(6) . . . . ?
O17 C57 C60 F7 -75.7(7) . . . . ?
O18A Al1 O17 C57 103.2(10) . . . . ?
O18A Al1 O19 C65 65.8(10) . . . . ?
O18A Al1 O20B C69 63.4(17) . . . . ?
F12A C62A C61 O18A 71.3(17) . . . . ?
F12A C62A C61 C64 -160.8(13) . . . . ?
F12A C62A C61 C63A -44.1(19) . . . . ?
C28 C27 C26 Mo4 64.1(5) . . . . ?
C28 C27 C26 C25 1.1(8) . . . . ?
C28 C24 C25 Mo4 -65.4(5) . . . . ?
C28 C24 C25 C26 0.2(8) . . . . ?
C27 C28 C24 Mo4 -62.5(5) . . . . ?
C27 C28 C24 C25 0.5(8) . . . . ?
C70 C69 C72A F36A -161.1(12) . . . . ?
C70 C69 C72A F35A 76.8(13) . . . . ?
C70 C69 C72A F34A -45.0(15) . . . . ?
C70 C69 C71A F32A -32(3) . . . . ?
C70 C69 C71A F33A 83(2) . . . . ?
C70 C69 C71A F31 -157.0(13) . . . . ?
C70 C69 O20B Al1 37.9(18) . . . . ?
C70 C69 O20A Al1 -61.8(18) . . . . ?
C70 C69 C72B F35B 71.7(14) . . . . ?
C70 C69 C72B F34B -44.4(15) . . . . ?
C70 C69 C72B F36B -165.8(15) . . . . ?
C70 C69 C71B F32B -48(4) . . . . ?
C70 C69 C71B F31 -171(2) . . . . ?
C70 C69 C71B F33B 72(4) . . . . ?
F13A C63A C61 O18A -163.1(13) . . . . ?
F13A C63A C61 C64 74.7(16) . . . . ?
F13A C63A C61 C62A -46.9(19) . . . . ?
C42 C41 C40 Mo6 64.4(4) . . . . ?
C42 C41 C40 C39 1.3(7) . . . . ?
C42 C38 C39 Mo6 -65.5(4) . . . . ?
C42 C38 C39 C40 -0.3(7) . . . . ?
C24 C28 C27 Mo4 61.5(5) . . . . ?
C24 C28 C27 C26 -1.0(8) . . . . ?
C24 C25 C26 Mo4 -66.1(5) . . . . ?
C24 C25 C26 C27 -0.8(9) . . . . ?
C33 C34 C35 Mo5 -65.8(4) . . . . ?
C33 C34 C35 C31 -1.2(6) . . . . ?
C11 C12 C13 Mo2 -64.9(5) . . . . ?
C11 C12 C13 C14 -1.6(8) . . . . ?
C80 C77 C79 F51 163.6(5) . . . . ?
C80 C77 C79 F49 45.5(6) . . . . ?
C80 C77 C79 F50 -76.0(6) . . . . ?
C80 C77 C78 F47 -77.6(7) . . . . ?
C80 C77 C78 F48 162.0(6) . . . . ?
C80 C77 C78 F46 41.9(8) . . . . ?
C41 C42 C38 Mo6 -62.1(4) . . . . ?
C41 C42 C38 C39 1.0(7) . . . . ?
C41 C40 C39 Mo6 64.9(4) . . . . ?
C41 C40 C39 C38 -0.6(7) . . . . ?
C47 C46 C45 Mo7 63.9(4) . . . . ?
C47 C46 C45 C49 -0.4(7) . . . . ?
C38 C42 C41 Mo6 61.6(4) . . . . ?
C38 C42 C41 C40 -1.5(6) . . . . ?
C56 C55 C54 Mo8 62.2(4) . . . . ?
C56 C55 C54 C53 -0.7(7) . . . . ?
C56 C52 C53 Mo8 -65.6(4) . . . . ?
C56 C52 C53 C54 0.1(8) . . . . ?
C46 C47 C48 Mo7 -64.9(4) . . . . ?
C46 C47 C48 C49 0.2(6) . . . . ?
C48 C49 C45 Mo7 -62.1(4) . . . . ?
C48 C49 C45 C46 0.6(6) . . . . ?
C48 C47 C46 Mo7 65.5(4) . . . . ?
C48 C47 C46 C45 0.1(6) . . . . ?
C19 C18 C17 Mo3 66.1(5) . . . . ?
C19 C18 C17 C21 0.6(9) . . . . ?
F16A C64 C61 O18A 77.0(9) . . . . ?
F16A C64 C61 C63A -166.9(11) . . . . ?
F16A C64 C61 C62A -46.8(11) . . . . ?
F10A C62A C61 O18A -171.5(17) . . . . ?
F10A C62A C61 C64 -44(2) . . . . ?
F10A C62A C61 C63A 73(2) . . . . ?
C79 C77 C80 F53 157.9(5) . . . . ?
C79 C77 C80 F52 -83.5(5) . . . . ?
C79 C77 C80 F54 36.5(7) . . . . ?
C79 C77 C78 F47 163.6(5) . . . . ?
C79 C77 C78 F48 43.3(8) . . . . ?
C79 C77 C78 F46 -76.8(7) . . . . ?
C34 C33 C32 Mo5 62.0(4) . . . . ?
C34 C33 C32 C31 -0.1(6) . . . . ?
C55 C56 C52 Mo8 -64.6(4) . . . . ?
C55 C56 C52 C53 -0.5(7) . . . . ?
C35 C31 C32 Mo5 -64.5(4) . . . . ?
C35 C31 C32 C33 -0.6(6) . . . . ?
C45 C49 C48 Mo7 62.5(4) . . . . ?
C45 C49 C48 C47 -0.5(6) . . . . ?
C10 C11 C12 Mo2 -61.1(5) . . . . ?
C10 C11 C12 C13 1.7(8) . . . . ?
C10 C14 C13 Mo2 66.0(5) . . . . ?
C10 C14 C13 C12 0.9(8) . . . . ?
C52 C56 C55 Mo8 62.7(4) . . . . ?
C52 C56 C55 C54 0.8(7) . . . . ?
C52 C53 C54 Mo8 -64.9(5) . . . . ?
C52 C53 C54 C55 0.4(8) . . . . ?
F17A C64 C61 O18A -175.1(10) . . . . ?
F17A C64 C61 C63A -59.0(14) . . . . ?
F17A C64 C61 C62A 61.1(14) . . . . ?
C32 C31 C35 Mo5 66.2(4) . . . . ?
C32 C31 C35 C34 1.1(6) . . . . ?
C32 C33 C34 Mo5 -62.8(4) . . . . ?
C32 C33 C34 C35 0.8(6) . . . . ?
C18 C19 C20 Mo3 -62.1(5) . . . . ?
C18 C19 C20 C21 -0.3(8) . . . . ?
C59 C57 C58 F3 43.2(7) . . . . ?
C59 C57 C58 F2 -77.8(8) . . . . ?
C59 C57 C58 F1 162.8(7) . . . . ?
C59 C57 C60 F8 163.9(6) . . . . ?
C59 C57 C60 F9 -75.1(8) . . . . ?
C59 C57 C60 F7 44.9(7) . . . . ?
C12 C11 C10 Mo2 61.8(5) . . . . ?
C12 C11 C10 C14 -1.2(8) . . . . ?
C13 C14 C10 Mo2 -65.4(5) . . . . ?
C13 C14 C10 C11 0.2(8) . . . . ?
C64 C61 C63B F14B -163.3(15) . . . . ?
C64 C61 C63B F15B -44.5(19) . . . . ?
C64 C61 C63B F13B 77.8(18) . . . . ?
C64 C61 C62B F12B -169.8(16) . . . . ?
C64 C61 C62B F10B -51(2) . . . . ?
C64 C61 C62B F11B 68.8(18) . . . . ?
F14A C63A C61 O18A -40(2) . . . . ?
F14A C63A C61 C64 -162.1(15) . . . . ?
F14A C63A C61 C62A 76(2) . . . . ?
C17 C21 C20 Mo3 62.8(5) . . . . ?
C17 C21 C20 C19 0.7(8) . . . . ?
C20 C19 C18 Mo3 64.7(5) . . . . ?
C20 C19 C18 C17 -0.2(8) . . . . ?
C20 C21 C17 Mo3 -65.3(5) . . . . ?
C20 C21 C17 C18 -0.8(8) . . . . ?
F11A C62A C61 O18A -48(2) . . . . ?
F11A C62A C61 C64 79.8(19) . . . . ?
F11A C62A C61 C63A -163.5(18) . . . . ?
C6A C5A C4A Mo1 62.1(10) . . . . ?
C6A C5A C4A C3A 0.0(15) . . . . ?
C6A C7A C3A Mo1 -66.5(9) . . . . ?
C6A C7A C3A C4A -0.1(14) . . . . ?
C58 C57 C59 F5 43.1(7) . . . . ?
C58 C57 C59 F4 -77.7(9) . . . . ?
C58 C57 C59 F6 160.6(7) . . . . ?
C58 C57 C60 F8 -77.5(7) . . . . ?
C58 C57 C60 F9 43.6(9) . . . . ?
C58 C57 C60 F7 163.6(6) . . . . ?
C5A C6A C7A Mo1 -66.2(9) . . . . ?
C5A C6A C7A C3A 0.1(15) . . . . ?
C5A C4A C3A Mo1 63.1(9) . . . . ?
C5A C4A C3A C7A 0.1(14) . . . . ?
F15A C63A C61 O18A 80.6(16) . . . . ?
F15A C63A C61 C64 -41.6(17) . . . . ?
F15A C63A C61 C62A -163.2(15) . . . . ?
C60 C57 C59 F5 162.2(5) . . . . ?
C60 C57 C59 F4 41.5(9) . . . . ?
C60 C57 C59 F6 -80.3(7) . . . . ?
C60 C57 C58 F3 -76.0(7) . . . . ?
C60 C57 C58 F2 163.0(6) . . . . ?
C60 C57 C58 F1 43.5(9) . . . . ?
C72A C69 C70 F29 88.6(9) . . . . ?
C72A C69 C70 F30 -155.2(8) . . . . ?
C72A C69 C70 F28 -35.7(10) . . . . ?
C72A C69 C71A F32A 79(3) . . . . ?
C72A C69 C71A F33A -165.2(18) . . . . ?
C72A C69 C71A F31 -45(2) . . . . ?
C72A C69 O20B Al1 -91.3(17) . . . . ?
C71A C69 C70 F29 -156.9(12) . . . . ?
C71A C69 C70 F30 -40.7(13) . . . . ?
C71A C69 C70 F28 78.9(13) . . . . ?
C71A C69 C72A F36A 83.5(19) . . . . ?
C71A C69 C72A F35A -38(2) . . . . ?
C71A C69 C72A F34A -160.4(18) . . . . ?
C71A C69 O20B Al1 151(2) . . . . ?
C7A C6A C5A Mo1 63.4(9) . . . . ?
C7A C6A C5A C4A 0.0(15) . . . . ?
C78 C77 C80 F53 39.1(7) . . . . ?
C78 C77 C80 F52 157.7(5) . . . . ?
C78 C77 C80 F54 -82.4(7) . . . . ?
C78 C77 C79 F51 -77.5(6) . . . . ?
C78 C77 C79 F49 164.3(5) . . . . ?
C78 C77 C79 F50 42.8(7) . . . . ?
C6B C5B C4B Mo1 66.0(13) . . . . ?
C6B C5B C4B C3B -2(2) . . . . ?
C5B C6B C7B Mo1 -63.2(14) . . . . ?
C5B C6B C7B C3B 0(2) . . . . ?
C5B C4B C3B Mo1 65.0(11) . . . . ?
C5B C4B C3B C7B 1.6(19) . . . . ?
C4B C3B C7B Mo1 60.9(12) . . . . ?
C4B C3B C7B C6B -0.8(19) . . . . ?
C7B C6B C5B Mo1 66.0(14) . . . . ?
C7B C6B C5B C4B 1(2) . . . . ?
O19 Al1 O17 C57 -7.9(10) . . . . ?
O19 Al1 O18A C61 -169.0(16) . . . . ?
O19 Al1 O18B C61 91(2) . . . . ?
O19 Al1 O20B C69 -179.4(15) . . . . ?
O19 Al1 O20A C69 -93.2(17) . . . . ?
O19 C65 C68A F26A 78.0(11) . . . . ?
O19 C65 C68A F27A -158.5(10) . . . . ?
O19 C65 C68A F25A -40.8(13) . . . . ?
O19 C65 C67A F22A -47.3(12) . . . . ?
O19 C65 C67A F23A 73.8(18) . . . . ?
O19 C65 C67A F24A -169.8(10) . . . . ?
O19 C65 C66A F19A 83.0(10) . . . . ?
O19 C65 C66A F21 -40.1(11) . . . . ?
O19 C65 C66A F20 -158.6(7) . . . . ?
O19 C65 C67B F23B 34.0(14) . . . . ?
O19 C65 C67B F24B 159.1(10) . . . . ?
O19 C65 C67B F22B -83.5(11) . . . . ?
O19 C65 C68B F25B 173.1(11) . . . . ?
O19 C65 C68B F26B -60.7(17) . . . . ?
O19 C65 C68B F27B 52.3(15) . . . . ?
O19 C65 C66B F21 40.8(12) . . . . ?
O19 C65 C66B F20 150.6(9) . . . . ?
O19 C65 C66B F19B -84.1(14) . . . . ?
C68A C65 C67A F22A -166.4(10) . . . . ?
C68A C65 C67A F23A -45.3(19) . . . . ?
C68A C65 C67A F24A 71.2(13) . . . . ?
C68A C65 C66A F19A -164.5(9) . . . . ?
C68A C65 C66A F21 72.3(10) . . . . ?
C68A C65 C66A F20 -46.2(10) . . . . ?
C67A C65 C68A F26A -157.6(10) . . . . ?
C67A C65 C68A F27A -34.2(14) . . . . ?
C67A C65 C68A F25A 83.6(12) . . . . ?
C67A C65 C66A F19A -44.5(11) . . . . ?
C67A C65 C66A F21 -167.6(9) . . . . ?
C67A C65 C66A F20 73.9(11) . . . . ?
C66A C65 C68A F26A -39.8(12) . . . . ?
C66A C65 C68A F27A 83.7(12) . . . . ?
C66A C65 C68A F25A -158.6(11) . . . . ?
C66A C65 C67A F22A 79.2(12) . . . . ?
C66A C65 C67A F23A -159.6(17) . . . . ?
C66A C65 C67A F24A -43.2(14) . . . . ?
C67B C65 C68B F25B -79.5(13) . . . . ?
C67B C65 C68B F26B 46.8(17) . . . . ?
C67B C65 C68B F27B 159.8(13) . . . . ?
C67B C65 C66B F21 -74.1(11) . . . . ?
C67B C65 C66B F20 35.6(15) . . . . ?
C67B C65 C66B F19B 160.9(12) . . . . ?
C68B C65 C67B F23B -81.0(14) . . . . ?
C68B C65 C67B F24B 44.2(13) . . . . ?
C68B C65 C67B F22B 161.5(11) . . . . ?
C68B C65 C66B F21 168.7(8) . . . . ?
C68B C65 C66B F20 -81.6(13) . . . . ?
C68B C65 C66B F19B 43.7(15) . . . . ?
C66B C65 C67B F23B 157.8(14) . . . . ?
C66B C65 C67B F24B -77.0(14) . . . . ?
C66B C65 C67B F22B 40.3(14) . . . . ?
C66B C65 C68B F25B 42.7(14) . . . . ?
C66B C65 C68B F26B 168.9(16) . . . . ?
C66B C65 C68B F27B -78.1(14) . . . . ?
O18B Al1 O17 C57 123.3(10) . . . . ?
O18B Al1 O19 C65 49.9(10) . . . . ?
O18B Al1 O20A C69 148.2(17) . . . . ?
O18B C61 C63B F14B -47(2) . . . . ?
O18B C61 C63B F15B 71.5(19) . . . . ?
O18B C61 C63B F13B -166.2(14) . . . . ?
O18B C61 C62B F12B 77(2) . . . . ?
O18B C61 C62B F10B -164.1(17) . . . . ?
O18B C61 C62B F11B -44(2) . . . . ?
F16B C64 C61 O18B 79.0(13) . . . . ?
F16B C64 C61 C63B -161.3(14) . . . . ?
F16B C64 C61 C62B -37.9(15) . . . . ?
F17B C64 C61 O18B -158.9(9) . . . . ?
F17B C64 C61 C63B -39.1(13) . . . . ?
F17B C64 C61 C62B 84.2(12) . . . . ?
F18 C64 C61 O18A -28.3(10) . . . . ?
F18 C64 C61 C63A 87.8(11) . . . . ?
F18 C64 C61 C62A -152.1(11) . . . . ?
F18 C64 C61 O18B -52.9(9) . . . . ?
F18 C64 C61 C63B 66.9(12) . . . . ?
F18 C64 C61 C62B -169.8(10) . . . . ?
C63B C61 C62B F12B -47(2) . . . . ?
C63B C61 C62B F10B 72(2) . . . . ?
C63B C61 C62B F11B -168.2(16) . . . . ?
C62B C61 C63B F14B 77(2) . . . . ?
C62B C61 C63B F15B -164.6(17) . . . . ?
C62B C61 C63B F13B -42(2) . . . . ?
O24B Al2 O22 C77 112.3(9) . . . . ?
O24B Al2 O21 C73B 57.4(18) . . . . ?
O24B Al2 O23B C81 96(4) . . . . ?
O24B C85 C86B F66B 152.7(15) . . . . ?
O24B C85 C86B F64B 18(3) . . . . ?
O24B C85 C86B F65B -96.7(18) . . . . ?
O24B C85 C87B F69B -45.8(19) . . . . ?
O24B C85 C87B F68B 66.2(15) . . . . ?
O24B C85 C87B F67B -174.7(18) . . . . ?
O24B C85 C88B F72B 31.5(14) . . . . ?
O24B C85 C88B F71B 146.3(13) . . . . ?
O24B C85 C88B F70B -90.8(12) . . . . ?
C86A C85 O24A Al2 -178(2) . . . . ?
F64A C86A C85 C87A 166.9(17) . . . . ?
F64A C86A C85 C88A -73.9(19) . . . . ?
F64A C86A C85 O24A 67.7(19) . . . . ?
F66A C86A C85 C87A -67(2) . . . . ?
F66A C86A C85 C88A 52(2) . . . . ?
F66A C86A C85 O24A -166.3(19) . . . . ?
F65A C86A C85 C87A 46.2(18) . . . . ?
F65A C86A C85 C88A 165.4(14) . . . . ?
F65A C86A C85 O24A -53.0(17) . . . . ?
C87A C85 O24A Al2 77(2) . . . . ?
F69A C87A C85 C86A 169.4(13) . . . . ?
F69A C87A C85 C88A 51.2(15) . . . . ?
F69A C87A C85 O24A -94.2(13) . . . . ?
F68A C87A C85 C86A -84.3(19) . . . . ?
F68A C87A C85 C88A 157.6(16) . . . . ?
F68A C87A C85 O24A 12.2(19) . . . . ?
F67A C87A C85 C86A 54(3) . . . . ?
F67A C87A C85 C88A -64(3) . . . . ?
F67A C87A C85 O24A 151(2) . . . . ?
C88A C85 O24A Al2 -55(3) . . . . ?
F72A C88A C85 C86A 173.3(14) . . . . ?
F72A C88A C85 C87A -71.8(15) . . . . ?
F72A C88A C85 O24A 55.0(19) . . . . ?
F71A C88A C85 C86A -74.0(15) . . . . ?
F71A C88A C85 C87A 40.8(15) . . . . ?
F71A C88A C85 O24A 167.7(13) . . . . ?
F70A C88A C85 C86A 42.1(15) . . . . ?
F70A C88A C85 C87A 156.9(12) . . . . ?
F70A C88A C85 O24A -76.2(17) . . . . ?
C86B C85 C87B F69B 164.0(15) . . . . ?
C86B C85 C87B F68B -84.0(14) . . . . ?
C86B C85 C87B F67B 35(2) . . . . ?
C86B C85 C88B F72B 161.8(13) . . . . ?
C86B C85 C88B F71B -83.4(14) . . . . ?
C86B C85 C88B F70B 39.5(14) . . . . ?
C87B C85 C86B F66B -65(2) . . . . ?
C87B C85 C86B F64B 160.0(18) . . . . ?
C87B C85 C86B F65B 45.3(17) . . . . ?
C87B C85 C88B F72B -77.5(15) . . . . ?
C87B C85 C88B F71B 37.3(15) . . . . ?
C87B C85 C88B F70B 160.2(12) . . . . ?
C88B C85 C86B F66B 55.2(18) . . . . ?
C88B C85 C86B F64B -79.7(18) . . . . ?
C88B C85 C86B F65B 165.7(11) . . . . ?
C88B C85 C87B F69B 51.0(17) . . . . ?
C88B C85 C87B F68B 163.0(11) . . . . ?
C88B C85 C87B F67B -78(2) . . . . ?
O24A Al2 O22 C77 131.5(9) . . . . ?
O24A Al2 O23A C81 50(2) . . . . ?
O24A Al2 O21 C73A 73.4(15) . . . . ?
O23A Al2 O22 C77 -105.2(9) . . . . ?
O23A Al2 O24A C85 -155(2) . . . . ?
O23A Al2 O21 C73A -46.0(15) . . . . ?
O23A C81 C84A F63A 74(2) . . . . ?
O23A C81 C84A F61A -159.4(19) . . . . ?
O23A C81 C84A F62A -38(3) . . . . ?
O23A C81 C82A F57A -45(3) . . . . ?
O23A C81 C82A F56A 68(3) . . . . ?
O23A C81 C82A F55A -168(3) . . . . ?
O23A C81 C83A F59A 81(3) . . . . ?
O23A C81 C83A F58A -157(2) . . . . ?
O23A C81 C83A F60A -39(3) . . . . ?
C84A C81 C82A F57A -163(3) . . . . ?
C84A C81 C82A F56A -51(3) . . . . ?
C84A C81 C82A F55A 73(3) . . . . ?
C84A C81 C83A F59A -159(2) . . . . ?
C84A C81 C83A F58A -37(3) . . . . ?
C84A C81 C83A F60A 80(3) . . . . ?
C82A C81 C84A F63A -167(2) . . . . ?
C82A C81 C84A F61A -41(2) . . . . ?
C82A C81 C84A F62A 81(3) . . . . ?
C82A C81 C83A F59A -39(3) . . . . ?
C82A C81 C83A F58A 83(3) . . . . ?
C82A C81 C83A F60A -159(2) . . . . ?
C83A C81 C84A F63A -48(3) . . . . ?
C83A C81 C84A F61A 79(2) . . . . ?
C83A C81 C84A F62A -160(2) . . . . ?
C83A C81 C82A F57A 77(3) . . . . ?
C83A C81 C82A F56A -170(3) . . . . ?
C83A C81 C82A F55A -47(3) . . . . ?
O21 Al2 O22 C77 2.1(9) . . . . ?
O21 Al2 O24B C85 -174(2) . . . . ?
O21 Al2 O24A C85 91(2) . . . . ?
O21 Al2 O23A C81 173(2) . . . . ?
O21 Al2 O23B C81 -147(4) . . . . ?
O21 Al2 O23C C81 -90.9(17) . . . . ?
O21 C73B C75 F40B 165.6(12) . . . . ?
O21 C73B C75 F42B -78.8(13) . . . . ?
O21 C73B C75 F41B 37.3(19) . . . . ?
O21 C73B C76B F43B -74(2) . . . . ?
O21 C73B C76B F45B 43(2) . . . . ?
O21 C73B C76B F44B 165.0(18) . . . . ?
O21 C73B C74B F37B 40.0(18) . . . . ?
O21 C73B C74B F39B 159.0(11) . . . . ?
O21 C73B C74B F38B -80.5(13) . . . . ?
O21 C73A C76A F45A 45.0(19) . . . . ?
O21 C73A C76A F44A 167.4(15) . . . . ?
O21 C73A C76A F43A -73.1(18) . . . . ?
O21 C73A C74A F38A -81.7(15) . . . . ?
O21 C73A C74A F37A 39.3(19) . . . . ?
O21 C73A C74A F39A 158.4(14) . . . . ?
C75 C73B C76B F43B 162.6(17) . . . . ?
C75 C73B C76B F45B -80(2) . . . . ?
C75 C73B C76B F44B 42(3) . . . . ?
C75 C73B C74B F37B 160.3(14) . . . . ?
C75 C73B C74B F39B -80.6(16) . . . . ?
C75 C73B C74B F38B 39.8(18) . . . . ?
C75 C73A C76A F45A -75(2) . . . . ?
C75 C73A C76A F44A 47(2) . . . . ?
C75 C73A C76A F43A 166.6(15) . . . . ?
C75 C73A C74A F38A 42.7(19) . . . . ?
C75 C73A C74A F37A 163.8(15) . . . . ?
C75 C73A C74A F39A -77(2) . . . . ?
C76B C73B C75 F40B -73(2) . . . . ?
C76B C73B C75 F42B 43.1(19) . . . . ?
C76B C73B C75 F41B 159(2) . . . . ?
C76B C73B C74B F37B -79.0(18) . . . . ?
C76B C73B C74B F39B 40.1(18) . . . . ?
C76B C73B C74B F38B 160.6(16) . . . . ?
C74B C73B C75 F40B 46.0(18) . . . . ?
C74B C73B C75 F42B 161.6(13) . . . . ?
C74B C73B C75 F41B -82(2) . . . . ?
C74B C73B C76B F43B 46(2) . . . . ?
C74B C73B C76B F45B 162.5(16) . . . . ?
C74B C73B C76B F44B -75(2) . . . . ?
C76A C73A C74A F38A 159.3(14) . . . . ?
C76A C73A C74A F37A -80(2) . . . . ?
C76A C73A C74A F39A 40(2) . . . . ?
C74A C73A C76A F45A 164.0(17) . . . . ?
C74A C73A C76A F44A -73.6(19) . . . . ?
C74A C73A C76A F43A 46(2) . . . . ?
F41A C75 C73A O21 48.6(19) . . . . ?
F41A C75 C73A C76A 166.8(18) . . . . ?
F41A C75 C73A C74A -74(2) . . . . ?
F40A C75 C73A O21 161.7(13) . . . . ?
F40A C75 C73A C76A -80.1(18) . . . . ?
F40A C75 C73A C74A 39.1(18) . . . . ?
F42A C75 C73A O21 -77.0(15) . . . . ?
F42A C75 C73A C76A 41(2) . . . . ?
F42A C75 C73A C74A 160.4(14) . . . . ?
O23B Al2 O22 C77 -116.6(10) . . . . ?
O23B Al2 O24B C85 -53(3) . . . . ?
O23B Al2 O21 C73B -69.9(19) . . . . ?
O23B C81 C84C F62B 24(5) . . . . ?
O23B C81 C84C F61B 161(3) . . . . ?
O23B C81 C84C F63B -93(3) . . . . ?
O23B C81 C82C F56B -71(4) . . . . ?
O23B C81 C82C F57B 67(3) . . . . ?
O23B C81 C82C F55B 174(2) . . . . ?
O23B C81 C83C F58B 157(3) . . . . ?
O23B C81 C83C F60B -74(2) . . . . ?
O23B C81 C83C F59B 40(2) . . . . ?
C84C C81 O23B Al2 -145(4) . . . . ?
C84C C81 C82C F56B 143(4) . . . . ?
C84C C81 C82C F57B -79(3) . . . . ?
C84C C81 C82C F55B 28(3) . . . . ?
C84C C81 C83C F58B -88(3) . . . . ?
C84C C81 C83C F60B 42(3) . . . . ?
C84C C81 C83C F59B 155(2) . . . . ?
C82C C81 O23B Al2 68(5) . . . . ?
C82C C81 C84C F62B 172(4) . . . . ?
C82C C81 C84C F61B -52(4) . . . . ?
C82C C81 C84C F63B 54(3) . . . . ?
C82C C81 C83C F58B 34(3) . . . . ?
C82C C81 C83C F60B 163(2) . . . . ?
C82C C81 C83C F59B -84(2) . . . . ?
C83C C81 O23B Al2 -43(4) . . . . ?
C83C C81 C84C F62B -81(4) . . . . ?
C83C C81 C84C F61B 55(4) . . . . ?
C83C C81 C84C F63B 161(2) . . . . ?
C83C C81 C82C F56B 39(3) . . . . ?
C83C C81 C82C F57B 177(2) . . . . ?
C83C C81 C82C F55B -76(3) . . . . ?
O23C Al2 O22 C77 -129.5(9) . . . . ?
O23C C81 C84B F63C 67.9(16) . . . . ?
O23C C81 C84B F61C -169.7(13) . . . . ?
O23C C81 C84B F62C -49.9(16) . . . . ?
O23C C81 C82B F57C -55.7(19) . . . . ?
O23C C81 C82B F56C 69(3) . . . . ?
O23C C81 C82B F55C -174.5(16) . . . . ?
O23C C81 C83B F59C 78.9(18) . . . . ?
O23C C81 C83B F58C -162(2) . . . . ?
O23C C81 C83B F60C -35(3) . . . . ?
C84B C81 O23C Al2 72.2(18) . . . . ?
C84B C81 C82B F57C -173.8(16) . . . . ?
C84B C81 C82B F56C -49(3) . . . . ?
C84B C81 C82B F55C 67(2) . . . . ?
C84B C81 C83B F59C -168.5(16) . . . . ?
C84B C81 C83B F58C -49(2) . . . . ?
C84B C81 C83B F60C 78(3) . . . . ?
C82B C81 O23C Al2 -45(2) . . . . ?
C82B C81 C84B F63C -167.4(15) . . . . ?
C82B C81 C84B F61C -45.0(17) . . . . ?
C82B C81 C84B F62C 74.8(16) . . . . ?
C82B C81 C83B F59C -55(2) . . . . ?
C82B C81 C83B F58C 65(3) . . . . ?
C82B C81 C83B F60C -169(3) . . . . ?
C83B C81 O23C Al2 -177.9(17) . . . . ?
C83B C81 C84B F63C -47.0(18) . . . . ?
C83B C81 C84B F61C 75.3(18) . . . . ?
C83B C81 C84B F62C -164.8(16) . . . . ?
C83B C81 C82B F57C 74(2) . . . . ?
C83B C81 C82B F56C -161(3) . . . . ?
C83B C81 C82B F55C -44(3) . . . . ?
O20B Al1 O17 C57 -118.2(10) . . . . ?
O20B Al1 O18A C61 -52.4(19) . . . . ?
O20B Al1 O19 C65 -66.6(9) . . . . ?
O20B C69 C70 F29 -52.3(9) . . . . ?
O20B C69 C70 F30 63.9(8) . . . . ?
O20B C69 C70 F28 -176.6(7) . . . . ?
O20B C69 C72A F36A -28.6(18) . . . . ?
O20B C69 C72A F35A -150.6(11) . . . . ?
O20B C69 C72A F34A 87.5(16) . . . . ?
O20B C69 C71A F32A -148(2) . . . . ?
O20B C69 C71A F33A -33(2) . . . . ?
O20B C69 C71A F31 87.2(16) . . . . ?
O20A Al1 O17 C57 -139.3(10) . . . . ?
O20A Al1 O19 C65 -51.3(10) . . . . ?
O20A Al1 O18B C61 -150(2) . . . . ?
O20A C69 C70 F29 -24.7(9) . . . . ?
O20A C69 C70 F30 91.5(8) . . . . ?
O20A C69 C70 F28 -149.0(8) . . . . ?
O20A C69 C72B F35B 179.3(14) . . . . ?
O20A C69 C72B F34B 63.2(14) . . . . ?
O20A C69 C72B F36B -58.2(17) . . . . ?
O20A C69 C71B F32B 176(2) . . . . ?
O20A C69 C71B F31 53(4) . . . . ?
O20A C69 C71B F33B -63(5) . . . . ?
C72B C69 C70 F29 68.8(10) . . . . ?
C72B C69 C70 F30 -175.0(8) . . . . ?
C72B C69 C70 F28 -55.4(10) . . . . ?
C72B C69 O20A Al1 -175.0(18) . . . . ?
C72B C69 C71B F32B 76(4) . . . . ?
C72B C69 C71B F31 -47(3) . . . . ?
C72B C69 C71B F33B -163(3) . . . . ?
C71B C69 C70 F29 -170.2(18) . . . . ?
C71B C69 C70 F30 -54.0(18) . . . . ?
C71B C69 C70 F28 65.6(19) . . . . ?
C71B C69 O20A Al1 75(3) . . . . ?
C71B C69 C72B F35B -51(2) . . . . ?
C71B C69 C72B F34B -167(2) . . . . ?
C71B C69 C72B F36B 72(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 3.512
_oxdiff_exptl_absorpt_empirical_full_min 0.385
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh_234b_ap_abs_gauss
_database_code_depnum_ccdc_archive 'CCDC 2300858'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2021-03-10
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C28 H20 Ag Mo4 O8 P3.19 Sb0.81, Al C16 F36 O4, 0.45(C H2 Cl2)'
_chemical_formula_sum            
'C44.45 H20.90 Ag Al Cl0.90 F36 Mo4 O12 P3.19 Sb0.81'
_chemical_formula_weight         2178.84
_chemical_melting_point          ?
_chemical_oxdiff_formula         C44.5H21AgAlClF36Mo4O12P3Sb
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.00870(10)
_cell_length_b                   14.52390(10)
_cell_length_c                   18.68170(10)
_cell_angle_alpha                106.0900(10)
_cell_angle_beta                 101.8780(10)
_cell_angle_gamma                111.1490(10)
_cell_volume                     3201.62(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    55855
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      74.2790
_cell_measurement_theta_min      2.6070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.051
_exptl_absorpt_correction_T_max  0.706
_exptl_absorpt_correction_T_min  0.054
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.260
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
9 -5 -1 0.1235
0 1 10 0.0568
-9 5 2 0.1612
0 -1 -10 0.0459
-7 0 9 0.1379
0 6 5 0.0935
0 7 -11 0.0734
-2 8 -9 0.0915
-6 3 -6 0.1216
8 2 -5 0.1431
0 8 1 0.1009
0 9 -6 0.0847
8 -8 2 0.1105
-2 -8 3 0.0903
-8 0 0 0.1232

_exptl_crystal_size_max          0.294
_exptl_crystal_size_mid          0.209
_exptl_crystal_size_min          0.104
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
8.9143 -5.0191 -1.0498 -0.4371 0.1492 0.8870
-0.3197 1.0742 10.4722 -0.8323 0.2958 -0.4689
-8.9149 5.0671 1.6064 0.3919 -0.1332 -0.9103
0.1886 -1.0004 -10.4569 0.8387 -0.2980 0.4558
-7.2772 0.1295 9.0629 -0.2832 -0.4217 -0.8614
-0.1476 5.7362 5.4458 -0.4637 0.7503 -0.4713
0.2183 6.5072 -10.7311 0.8159 0.5619 0.1366
-2.4269 8.0613 -8.7089 0.8070 0.5575 -0.1946
-6.4162 3.0097 -6.2792 0.8863 -0.3104 -0.3437
7.6542 1.8829 -4.6782 -0.1058 0.7678 0.6319
0.3709 7.7287 0.6800 -0.1222 0.9319 -0.3414
0.1735 8.6498 -6.0167 0.4255 0.8939 -0.1408
7.5947 -7.5437 1.7601 -0.5680 -0.1978 0.7989
-1.7460 -7.8177 2.8318 -0.0759 -0.9905 0.1151
-8.0301 0.2065 -0.1197 0.5046 -0.6504 -0.5678

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            66769
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.480
_diffrn_reflns_theta_min         2.619
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     46.00  72.00   0.50    0.05    --   36.00  69.00 -78.41   52
  2  ω     46.00  71.00   0.50    0.05    --   40.00  76.00   6.21   50
  3  ω     59.00  84.00   0.50    0.05    --   48.00  65.00 -54.36   50
  4  ω     61.00  86.00   0.50    0.05    --   48.00  57.00 -30.20   50
  5  ω     61.00  86.00   0.50    0.05    --   48.00  55.00-106.75   50
  6  ω     49.00  74.00   0.50    0.05    --   36.00  55.00-176.54   50
  7  ω     42.00  67.00   0.50    0.05    --   36.00  76.00  88.22   50
  8  ω     50.00  75.00   0.50    0.05    --   40.00  68.00 130.18   50
  9  ω     50.00  77.00   0.50    0.05    --   44.00  77.00  41.42   54
 10  ω     47.00  73.00   0.50    0.05    --   80.00 -82.00   6.09   52
 11  ω     52.00 108.00   0.50    0.05    --   80.00-128.00  36.98  112
 12  ω     42.00 113.00   0.50    0.05    --   80.00-137.00  -5.36  142
 13  ω     42.00  73.00   0.50    0.05    --   80.00-127.00-105.56   62
 14  ω     79.00 105.00   0.50    0.05    --   80.00-127.00-105.56   52
 15  ω     50.00 100.00   0.50    0.05    --   73.72-125.00-120.00  100
 16  ω     56.00 105.00   0.50    0.05    --   80.00-122.00-133.97   98
 17  ω     55.00 103.00   0.50    0.05    --   80.00-119.00-170.53   96
 18  ω     69.00 100.00   0.50    0.05    --   73.72-125.00   0.00   62
 19  ω     74.00 100.00   0.50    0.05    --   80.00-114.00 -64.69   52
 20  ω     39.00  66.00   0.50    0.05    --   80.00-114.00 -64.69   54
 21  ω     74.00  99.00   0.50    0.05    --   80.00-113.00 -10.25   50
 22  ω     52.00 100.00   0.50    0.05    --   80.00-115.00  96.92   96
 23  ω     73.00 100.00   0.50    0.05    --   73.72-125.00 120.00   54
 24  ω     39.00  70.00   0.50    0.05    --   73.72-125.00 120.00   62
 25  ω     41.00  99.00   0.50    0.05    --   80.00-113.00 121.92  116
 26  ω     54.00  98.00   0.50    0.05    --   80.00-113.00  79.33   88
 27  ω     42.00  97.00   0.50    0.05    --   80.00-109.00 139.92  110
 28  ω     43.00  85.00   0.50    0.05    --   80.00-112.00   5.64   84
 29  ω     40.00  66.00   0.50    0.05    --   80.00-112.00  -4.29   52
 30  ω     61.00  94.00   0.50    0.05    --   80.00-112.00-114.87   66
 31  ω     52.00  78.00   0.50    0.05    --   80.00 -88.00 -90.84   52
 32  ω     73.00  98.00   0.50    0.05    --   80.00-112.00  -4.29   50
 33  ω     53.00  92.00   0.50    0.05    --   80.00-108.00  49.18   78
 34  ω     64.00  92.00   0.50    0.05    --   80.00-107.00 171.23   56
 35  ω     42.00  79.00   0.50    0.05    --   80.00-105.00 142.87   74
 36  ω     48.00  73.00   0.50    0.05    --   80.00 -80.00 129.00   50
 37  ω     37.00  62.00   0.50    0.05    --   80.00 -44.00  97.23   50
 38  ω     67.00  93.00   0.50    0.05    --   56.00  65.00  65.46   52
 39  ω     86.00 111.00   0.50    0.05    --   80.00  78.00  60.92   50
 40  ω     71.00  96.00   0.50    0.05    --   60.00  67.00   2.01   50
 41  ω     71.00  96.00   0.50    0.05    --   60.00  65.00 174.66   50
 42  ω     91.00 116.00   0.50    0.05    --   80.00  65.00 171.43   50
 43  ω     92.00 117.00   0.50    0.05    --   80.00  60.00  93.44   50
 44  ω     92.00 118.00   0.50    0.05    --   80.00  58.00  16.94   52
 45  ω     68.00  93.00   0.50    0.05    --   56.00  58.00 -23.78   50
 46  ω     92.00 117.00   0.50    0.05    --   80.00  60.00-107.05   50
 47  ω     92.00 117.00   0.50    0.05    --   80.00  61.00-118.30   50
 48  ω     93.00 118.00   0.50    0.05    --   80.00  47.00-125.12   50
 49  ω     82.00 119.00   0.50    0.05    --   80.00  25.00-169.50   74
 50  ω     59.00  99.00   0.50    0.05    --   66.93  24.00-125.30   80
 51  ω     73.00 105.00   0.50    0.05    --   80.00  24.00-121.66   64
 52  ω     99.00 125.00   0.50    0.05    --   80.00  32.00 -60.30   52
 53  ω     65.00 105.00   0.50    0.05    --   80.00  19.00 -44.07   80
 54  ω     46.00  71.00   0.50    0.05    --   80.00 -74.00 -58.30   50
 55  ω     57.00 121.00   0.50    0.05    --   80.00  12.00-172.42  128
 56  ω     61.00 114.00   0.50    0.05    --   80.00  21.00 120.93  106
 57  ω     62.00 104.00   0.50    0.05    --   66.93  24.00 174.15   84
 58  ω     97.00 122.00   0.50    0.05    --   80.00  17.00  96.72   50
 59  ω     53.00  92.00   0.50    0.05    --   80.00  17.00  96.72   78
 60  ω     63.00 110.00   0.50    0.05    --   80.00  10.00  43.14   94
 61  ω     54.00 116.00   0.50    0.05    --   80.00   4.00 107.40  124
 62  ω     49.00  76.00   0.50    0.05    --   80.00   5.00  34.42   54
 63  ω     39.00 108.00   0.50    0.05    --   73.72   0.00 -30.00  138
 64  ω     76.00 118.00   0.50    0.05    --   80.00   5.00 -37.53   84
 65  ω     59.00  85.00   0.50    0.05    --   80.00   3.00 -99.07   52
 66  ω     49.00  78.00   0.50    0.05    --   80.00   9.00 -77.23   58
 67  ω     84.00 110.00   0.50    0.05    --   80.00   9.00 -77.23   52
 68  ω   -101.00 -76.00   0.50    0.05    --  -77.75 119.00 -24.81   50
 69  ω   -111.00 -86.00   0.50    0.05    --  -77.75 -72.00 -88.24   50
 70  ω   -109.00 -84.00   0.50    0.05    --  -72.00 -65.00  15.57   50
 71  ω   -116.00 -91.00   0.50    0.05    --  -72.00 -40.00  15.95   50
 72  ω   -113.00 -85.00   0.50    0.05    --  -72.00 -51.00 -32.95   56
 73  ω    -81.00 -55.00   0.50    0.05    --  -77.75 116.00-150.05   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0617788000
_diffrn_orient_matrix_UB_12      -0.0057466000
_diffrn_orient_matrix_UB_13      -0.0807702000
_diffrn_orient_matrix_UB_21      0.0836704000
_diffrn_orient_matrix_UB_22      0.1148949000
_diffrn_orient_matrix_UB_23      0.0190152000
_diffrn_orient_matrix_UB_31      0.0701354000
_diffrn_orient_matrix_UB_32      -0.0441817000
_diffrn_orient_matrix_UB_33      -0.0380989000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12858
_reflns_number_total             12933
_reflns_odcompleteness_completeness 98.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1018
_refine_ls_number_reflns         12933
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0253
_refine_ls_restrained_S_all      1.201
_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)+(0.0270P)²+4.7373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0637
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl1-C45 = Cl2-C45
 1.75 with sigma of 0.02
 Ag1-P4 \\sim Ag1-P3
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(P4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.005
4. Others
 Fixed Sof: Cl1(0.45) Cl2(0.45) C45(0.45) H45A(0.45) H45B(0.45) Sb1(0.81)
 C43A(0.77) C44A(0.77) C42A(0.77) F30A(0.77) F33A(0.77) F34A(0.77) F29A(0.77)
 C43B(0.23) C44B(0.23) C42B(0.23) F33B(0.23) F34B(0.23) F35B(0.23) F29B(0.23)
 P4(0.19)
5.a Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B)
5.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C6(H6), C14(H14), C3(H3), C11(H11), C7(H7), C12(H12), C13(H13),
 C19(H19), C17(H17), C26(H26), C4(H4), C5(H5), C21(H21), C28(H28), C20(H20),
 C25(H25), C27(H27), C18(H18), C24(H24)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ag1 Ag -0.04839(2) 0.12610(2) 0.07747(2) 0.01972(5) Uani 1 1 d D . . . .
Mo3 Mo -0.10608(2) 0.31885(2) 0.26796(2) 0.01834(5) Uani 1 1 d . . . . .
Mo2 Mo 0.20490(2) 0.00909(2) 0.18830(2) 0.01809(5) Uani 1 1 d . . . . .
Mo4 Mo -0.28602(2) 0.26114(2) 0.11352(2) 0.01847(5) Uani 1 1 d . . . . .
Mo1 Mo -0.02874(2) -0.13650(2) 0.16202(2) 0.01888(5) Uani 1 1 d . . . . .
P2 P 0.04517(6) 0.03422(5) 0.13604(4) 0.01914(13) Uani 1 1 d . . . . .
P1 P 0.04585(6) -0.10170(6) 0.05967(4) 0.02046(14) Uani 1 1 d . . . . .
Al1 Al 0.48159(6) 0.66743(6) 0.32206(5) 0.01753(15) Uani 1 1 d . . . . .
F26 F 0.66983(16) 0.61503(16) 0.27857(10) 0.0333(4) Uani 1 1 d . . . . .
F11 F 0.33812(17) 0.54103(15) 0.40462(13) 0.0379(4) Uani 1 1 d . . . . .
F22 F 0.63994(18) 0.44758(16) 0.40973(12) 0.0383(5) Uani 1 1 d . . . . .
F14 F 0.48689(16) 0.71453(17) 0.52943(11) 0.0386(4) Uani 1 1 d . . . . .
O11 O 0.57837(16) 0.65653(16) 0.38867(12) 0.0232(4) Uani 1 1 d . . . . .
F19 F 0.75215(17) 0.76943(16) 0.51674(11) 0.0376(4) Uani 1 1 d . . . . .
F18 F 0.23361(17) 0.74513(18) 0.33668(13) 0.0420(5) Uani 1 1 d . . . . .
F2 F 0.50391(16) 0.52183(18) 0.14198(12) 0.0396(5) Uani 1 1 d . . . . .
O12 O 0.53948(17) 0.75475(16) 0.27938(12) 0.0239(4) Uani 1 1 d . . . . .
F24 F 0.54728(17) 0.43659(15) 0.29807(12) 0.0389(5) Uani 1 1 d . . . . .
F17 F 0.34570(19) 0.88011(16) 0.44169(14) 0.0442(5) Uani 1 1 d . . . . .
F12 F 0.24435(17) 0.59132(18) 0.47025(13) 0.0416(5) Uani 1 1 d . . . . .
F20 F 0.65646(18) 0.62861(17) 0.53266(11) 0.0392(5) Uani 1 1 d . . . . .
F1 F 0.41879(19) 0.60718(17) 0.10835(12) 0.0438(5) Uani 1 1 d . . . . .
F25 F 0.77242(17) 0.56630(17) 0.34558(12) 0.0389(5) Uani 1 1 d . . . . .
O9 O 0.40112(17) 0.54317(16) 0.24610(12) 0.0246(4) Uani 1 1 d . . . . .
F23 F 0.49280(17) 0.46694(16) 0.39746(14) 0.0423(5) Uani 1 1 d . . . . .
O10 O 0.41040(16) 0.71877(16) 0.37250(12) 0.0226(4) Uani 1 1 d . . . . .
F15 F 0.51903(17) 0.86569(16) 0.51964(12) 0.0440(5) Uani 1 1 d . . . . .
F10 F 0.19929(16) 0.55436(16) 0.34501(12) 0.0427(5) Uani 1 1 d . . . . .
F4 F 0.37345(19) 0.33619(16) 0.14716(14) 0.0480(5) Uani 1 1 d . . . . .
F21 F 0.80213(17) 0.64371(19) 0.50523(12) 0.0432(5) Uani 1 1 d . . . . .
F7 F 0.19151(18) 0.4839(2) 0.07171(12) 0.0506(6) Uani 1 1 d . . . . .
F9 F 0.27348(19) 0.61974(18) 0.18246(14) 0.0493(6) Uani 1 1 d . . . . .
F13 F 0.39422(18) 0.79768(18) 0.56539(12) 0.0445(5) Uani 1 1 d . . . . .
F27 F 0.80208(16) 0.73085(16) 0.38459(12) 0.0391(5) Uani 1 1 d . . . . .
F16 F 0.21039(19) 0.7552(2) 0.44827(15) 0.0507(6) Uani 1 1 d . . . . .
F3 F 0.35844(18) 0.43970(19) 0.04022(11) 0.0454(5) Uani 1 1 d . . . . .
F8 F 0.16622(17) 0.4682(2) 0.17869(14) 0.0554(6) Uani 1 1 d . . . . .
O3 O 0.3110(2) 0.1030(2) 0.07595(15) 0.0367(5) Uani 1 1 d . . . . .
F6 F 0.21072(18) 0.30635(17) 0.08426(13) 0.0506(6) Uani 1 1 d . . . . .
F5 F 0.2634(2) 0.34571(17) 0.20998(14) 0.0541(6) Uani 1 1 d . . . . .
O1 O -0.25266(18) -0.16262(19) 0.06081(14) 0.0348(5) Uani 1 1 d . . . . .
O6 O 0.11084(19) 0.2970(2) 0.29096(15) 0.0367(5) Uani 1 1 d . . . . .
O2 O -0.0204(2) 0.04678(19) 0.30395(14) 0.0368(5) Uani 1 1 d . . . . .
O4 O 0.2293(2) -0.19814(19) 0.10858(14) 0.0369(5) Uani 1 1 d . . . . .
O5 O 0.0013(2) 0.54021(18) 0.25308(16) 0.0399(6) Uani 1 1 d . . . . .
O7 O -0.4457(2) 0.1579(2) 0.19464(16) 0.0454(6) Uani 1 1 d . . . . .
O8 O -0.4105(2) 0.0548(2) -0.04164(14) 0.0423(6) Uani 1 1 d . . . . .
C8 C 0.2700(2) 0.0672(2) 0.11491(18) 0.0256(6) Uani 1 1 d . . . . .
C16 C 0.0318(2) 0.3052(2) 0.27925(17) 0.0257(6) Uani 1 1 d . . . . .
C10 C 0.2305(2) 0.0518(3) 0.32487(17) 0.0289(6) Uani 1 1 d . . . . .
H10 H 0.176131 0.016574 0.344035 0.035 Uiso 1 1 calc R U . . .
C15 C -0.0376(2) 0.4582(2) 0.25596(18) 0.0279(6) Uani 1 1 d . . . . .
C37 C 0.6464(2) 0.6117(2) 0.40059(16) 0.0213(5) Uani 1 1 d . . . . .
C1 C -0.1695(2) -0.1489(2) 0.09744(17) 0.0247(6) Uani 1 1 d . . . . .
C34 C 0.2833(3) 0.5991(3) 0.41159(19) 0.0285(6) Uani 1 1 d . . . . .
C40 C 0.7239(3) 0.6309(3) 0.35169(18) 0.0273(6) Uani 1 1 d . . . . .
C6 C -0.1270(3) -0.3197(2) 0.1181(2) 0.0346(7) Uani 1 1 d . . . . .
H6 H -0.188266 -0.357902 0.070536 0.042 Uiso 1 1 calc R U . . .
C23 C -0.3617(2) 0.1272(2) 0.01671(18) 0.0273(6) Uani 1 1 d . . . . .
C2 C -0.0230(2) -0.0189(2) 0.25141(18) 0.0263(6) Uani 1 1 d . . . . .
C22 C -0.3842(3) 0.1917(3) 0.16560(19) 0.0302(7) Uani 1 1 d . . . . .
C14 C 0.3092(3) 0.0197(3) 0.30692(17) 0.0273(6) Uani 1 1 d . . . . .
H14 H 0.316673 -0.041149 0.311408 0.033 Uiso 1 1 calc R U . . .
C33 C 0.3576(2) 0.7163(2) 0.42526(17) 0.0222(6) Uani 1 1 d . . . . .
C35 C 0.4407(3) 0.7744(3) 0.51149(18) 0.0293(6) Uani 1 1 d . . . . .
C29 C 0.3385(2) 0.4884(2) 0.16881(17) 0.0251(6) Uani 1 1 d . . . . .
C3 C -0.0207(3) -0.2244(3) 0.2484(2) 0.0374(8) Uani 1 1 d . . . . .
H3 H 0.002579 -0.186377 0.303969 0.045 Uiso 1 1 calc R U . . .
C11 C 0.2459(3) 0.1454(3) 0.30961(18) 0.0324(7) Uani 1 1 d . . . . .
H11 H 0.203531 0.183524 0.315960 0.039 Uiso 1 1 calc R U . . .
C39 C 0.5807(3) 0.4891(3) 0.37684(19) 0.0287(6) Uani 1 1 d . . . . .
C7 C -0.1291(3) -0.2726(3) 0.1946(2) 0.0360(8) Uani 1 1 d . . . . .
H7 H -0.191278 -0.272999 0.207562 0.043 Uiso 1 1 calc R U . . .
C32 C 0.2411(3) 0.5158(3) 0.1499(2) 0.0377(8) Uani 1 1 d . . . . .
C12 C 0.3361(3) 0.1715(3) 0.28310(19) 0.0341(7) Uani 1 1 d . . . . .
H12 H 0.365378 0.231195 0.269086 0.041 Uiso 1 1 calc R U . . .
C13 C 0.3757(2) 0.0943(3) 0.28088(18) 0.0310(7) Uani 1 1 d . . . . .
H13 H 0.435396 0.092487 0.264982 0.037 Uiso 1 1 calc R U . . .
C19 C -0.2126(3) 0.2416(3) 0.33709(19) 0.0327(7) Uani 1 1 d . . . . .
H19 H -0.270374 0.171152 0.312413 0.039 Uiso 1 1 calc R U . . .
C17 C -0.0429(3) 0.3825(3) 0.40403(18) 0.0328(7) Uani 1 1 d . . . . .
H17 H 0.033068 0.423308 0.432195 0.039 Uiso 1 1 calc R U . . .
C26 C -0.3117(3) 0.3390(3) 0.02381(19) 0.0337(7) Uani 1 1 d . . . . .
H26 H -0.311948 0.308242 -0.028268 0.040 Uiso 1 1 calc R U . . .
C4 C 0.0460(3) -0.2427(3) 0.2049(2) 0.0337(7) Uani 1 1 d . . . . .
H4 H 0.122105 -0.219953 0.226334 0.040 Uiso 1 1 calc R U . . .
C31 C 0.2949(3) 0.3672(3) 0.1524(2) 0.0378(8) Uani 1 1 d . . . . .
C30 C 0.4054(3) 0.5142(3) 0.11383(18) 0.0322(7) Uani 1 1 d . . . . .
C9 C 0.2194(2) -0.1233(3) 0.13697(18) 0.0256(6) Uani 1 1 d . . . A -1
C5 C -0.0193(3) -0.3009(2) 0.1240(2) 0.0336(7) Uani 1 1 d . . . . .
H5 H 0.005107 -0.323082 0.081387 0.040 Uiso 1 1 calc R U . . .
C36 C 0.2853(3) 0.7749(3) 0.4132(2) 0.0317(7) Uani 1 1 d . . . . .
C21 C -0.1177(3) 0.4231(3) 0.38253(18) 0.0330(7) Uani 1 1 d . . . . .
H21 H -0.100259 0.496334 0.393954 0.040 Uiso 1 1 calc R U . . .
C28 C -0.2543(3) 0.4426(3) 0.15563(19) 0.0300(7) Uani 1 1 d . . . . .
H28 H -0.209179 0.493997 0.207521 0.036 Uiso 1 1 calc R U . . .
C20 C -0.2218(3) 0.3369(3) 0.34151(18) 0.0304(7) Uani 1 1 d . . . . .
H20 H -0.286858 0.341574 0.320465 0.036 Uiso 1 1 calc R U . . .
C25 C -0.4030(3) 0.3124(3) 0.0490(2) 0.0361(8) Uani 1 1 d . . . . .
H25 H -0.475507 0.260950 0.016916 0.043 Uiso 1 1 calc R U . . .
C38 C 0.7155(3) 0.6642(3) 0.49047(18) 0.0293(6) Uani 1 1 d . . . . .
C27 C -0.2204(3) 0.4188(2) 0.0894(2) 0.0306(7) Uani 1 1 d . . . . .
H27 H -0.148283 0.451274 0.089157 0.037 Uiso 1 1 calc R U . . .
C18 C -0.1024(3) 0.2698(3) 0.37578(19) 0.0333(7) Uani 1 1 d . . . . .
H18 H -0.073200 0.221574 0.381822 0.040 Uiso 1 1 calc R U . . .
C24 C -0.3665(3) 0.3768(3) 0.1310(2) 0.0337(7) Uani 1 1 d . . . . .
H24 H -0.410441 0.375463 0.163604 0.040 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9434(3) 0.0965(4) 0.5279(2) 0.1054(14) Uani 0.45 1 d D . P B -1
Cl2 Cl 1.0541(4) -0.0252(5) 0.4675(3) 0.0999(13) Uani 0.45 1 d D . P B -1
C45 C 0.9600(18) -0.0241(14) 0.5083(15) 0.140(10) Uani 0.45 1 d D . P B -1
H45A H 0.979472 -0.033965 0.558758 0.167 Uiso 0.45 1 calc R U P B -1
H45B H 0.889488 -0.085565 0.472637 0.167 Uiso 0.45 1 calc R U P B -1
Sb1 Sb -0.21367(3) 0.11791(3) 0.14974(2) 0.01929(7) Uani 0.81 1 d . . P C 1
P3 P -0.10051(6) 0.27783(6) 0.12717(4) 0.01981(13) Uani 1 1 d D . . . .
C41 C 0.5901(2) 0.8574(2) 0.28754(18) 0.0244(6) Uani 1 1 d . . . . .
C43A C 0.6280(4) 0.9371(3) 0.3745(3) 0.0346(9) Uani 0.77 1 d . . P D 1
C44A C 0.6890(4) 0.8702(4) 0.2606(3) 0.0363(10) Uani 0.77 1 d . . P D 1
C42A C 0.5110(4) 0.8829(4) 0.2334(3) 0.0390(11) Uani 0.77 1 d . . P D 1
F32 F 0.6721(2) 0.89896(17) 0.42362(13) 0.0532(6) Uani 1 1 d . . . . .
F35 F 0.77067(17) 0.8759(2) 0.31961(17) 0.0551(6) Uani 1 1 d . . . . .
F30A F 0.4949(6) 0.8348(8) 0.1576(6) 0.0476(15) Uani 0.77 1 d . . P D 1
F31 F 0.5423(2) 0.95108(17) 0.38968(15) 0.0495(6) Uani 1 1 d . . . . .
F36 F 0.6591(2) 0.7874(2) 0.19147(15) 0.0534(6) Uani 1 1 d . . . . .
F28 F 0.41477(17) 0.84889(19) 0.24650(17) 0.0563(7) Uani 1 1 d . . . . .
F33A F 0.7066(3) 1.0332(3) 0.3887(2) 0.0452(9) Uani 0.77 1 d . . P D 1
F34A F 0.7308(4) 0.9599(5) 0.2473(3) 0.0544(12) Uani 0.77 1 d . . P D 1
F29A F 0.5477(4) 0.9871(4) 0.2497(3) 0.0532(12) Uani 0.77 1 d . . P D 1
C43B C 0.5222(12) 0.9158(11) 0.3042(10) 0.035(3) Uani 0.23 1 d . . P D 2
C44B C 0.7038(12) 0.9176(11) 0.3554(10) 0.035(3) Uani 0.23 1 d . . P D 2
C42B C 0.6128(14) 0.8567(13) 0.2088(10) 0.041(4) Uani 0.23 1 d . . P D 2
F33B F 0.7462(10) 1.0230(10) 0.3757(8) 0.040(3) Uani 0.23 1 d . . P D 2
F34B F 0.6889(13) 0.9540(13) 0.2193(10) 0.049(4) Uani 0.23 1 d . . P D 2
F35B F 0.5284(18) 0.835(3) 0.1525(19) 0.043(5) Uani 0.23 1 d . . P D 2
F29B F 0.5566(12) 1.0067(10) 0.2888(8) 0.040(3) Uani 0.23 1 d . . P D 2
P4 P -0.1896(5) 0.1455(5) 0.1520(4) 0.0183(16) Uani 0.19 1 d D U P C 2


_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
Ag1 P2 2.4854(7) . ?
Ag1 P1 2.4968(7) 2 ?
Ag1 Sb1 2.8941(4) . ?
Ag1 P3 2.5609(7) . ?
Ag1 P4 2.692(6) . ?
Mo3 Mo4 3.0859(3) . ?
Mo3 C16 1.986(3) . ?
Mo3 C15 2.001(3) . ?
Mo3 C19 2.354(3) . ?
Mo3 C17 2.298(3) . ?
Mo3 C21 2.329(3) . ?
Mo3 C20 2.368(3) . ?
Mo3 C18 2.312(3) . ?
Mo3 Sb1 2.7476(4) . ?
Mo3 P3 2.5551(7) . ?
Mo3 P4 2.492(6) . ?
Mo2 Mo1 3.0322(3) . ?
Mo2 P2 2.4455(7) . ?
Mo2 P1 2.5285(7) . ?
Mo2 C8 2.006(3) . ?
Mo2 C10 2.368(3) . ?
Mo2 C14 2.321(3) . ?
Mo2 C11 2.354(3) . ?
Mo2 C12 2.301(3) . ?
Mo2 C13 2.285(3) . ?
Mo2 C9 1.999(3) . ?
Mo4 C23 1.988(3) . ?
Mo4 C22 1.988(3) . ?
Mo4 C26 2.305(3) . ?
Mo4 C28 2.372(3) . ?
Mo4 C25 2.293(3) . ?
Mo4 C27 2.349(3) . ?
Mo4 C24 2.326(3) . ?
Mo4 Sb1 2.7985(4) . ?
Mo4 P3 2.4730(7) . ?
Mo4 P4 2.659(7) . ?
Mo1 P2 2.5451(7) . ?
Mo1 P1 2.4455(7) . ?
Mo1 C1 2.005(3) . ?
Mo1 C6 2.309(3) . ?
Mo1 C2 1.994(3) . ?
Mo1 C3 2.327(3) . ?
Mo1 C7 2.294(3) . ?
Mo1 C4 2.372(3) . ?
Mo1 C5 2.355(3) . ?
P2 P1 2.0954(10) . ?
Al1 O11 1.727(2) . ?
Al1 O12 1.728(2) . ?
Al1 O9 1.731(2) . ?
Al1 O10 1.724(2) . ?
F26 C40 1.329(3) . ?
F11 C34 1.329(4) . ?
F22 C39 1.337(4) . ?
F14 C35 1.328(4) . ?
O11 C37 1.350(3) . ?
F19 C38 1.324(4) . ?
F18 C36 1.326(4) . ?
F2 C30 1.323(4) . ?
O12 C41 1.347(3) . ?
F24 C39 1.343(4) . ?
F17 C36 1.329(4) . ?
F12 C34 1.335(4) . ?
F20 C38 1.327(4) . ?
F1 C30 1.331(4) . ?
F25 C40 1.337(4) . ?
O9 C29 1.351(3) . ?
F23 C39 1.321(4) . ?
O10 C33 1.349(3) . ?
F15 C35 1.325(4) . ?
F10 C34 1.324(4) . ?
F4 C31 1.341(4) . ?
F21 C38 1.344(4) . ?
F7 C32 1.344(4) . ?
F9 C32 1.319(4) . ?
F13 C35 1.339(4) . ?
F27 C40 1.329(4) . ?
F16 C36 1.336(4) . ?
F3 C30 1.336(4) . ?
F8 C32 1.334(4) . ?
O3 C8 1.138(4) . ?
F6 C31 1.341(4) . ?
F5 C31 1.316(4) . ?
O1 C1 1.137(4) . ?
O6 C16 1.140(4) . ?
O2 C2 1.147(4) . ?
O4 C9 1.141(4) . ?
O5 C15 1.139(4) . ?
O7 C22 1.145(4) . ?
O8 C23 1.141(4) . ?
C10 H10 0.9500 . ?
C10 C14 1.408(4) . ?
C10 C11 1.415(5) . ?
C37 C40 1.556(4) . ?
C37 C39 1.557(4) . ?
C37 C38 1.558(4) . ?
C34 C33 1.555(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.415(5) . ?
C6 C5 1.407(5) . ?
C14 H14 0.9500 . ?
C14 C13 1.424(5) . ?
C33 C35 1.558(4) . ?
C33 C36 1.560(4) . ?
C29 C32 1.554(4) . ?
C29 C31 1.554(4) . ?
C29 C30 1.559(4) . ?
C3 H3 0.9500 . ?
C3 C7 1.421(5) . ?
C3 C4 1.405(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.415(5) . ?
C7 H7 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.413(5) . ?
C13 H13 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.417(5) . ?
C19 C18 1.412(5) . ?
C17 H17 0.9500 . ?
C17 C21 1.417(5) . ?
C17 C18 1.417(5) . ?
C26 H26 0.9500 . ?
C26 C25 1.413(5) . ?
C26 C27 1.406(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.416(5) . ?
C5 H5 0.9500 . ?
C21 H21 0.9500 . ?
C21 C20 1.405(5) . ?
C28 H28 0.9500 . ?
C28 C27 1.414(5) . ?
C28 C24 1.403(5) . ?
C20 H20 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.423(5) . ?
C27 H27 0.9500 . ?
C18 H18 0.9500 . ?
C24 H24 0.9500 . ?
Cl1 C45 1.798(15) . ?
Cl2 C45 1.655(14) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
Sb1 P3 2.4993(8) . ?
P3 P4 2.114(6) . ?
C41 C43A 1.556(5) . ?
C41 C44A 1.537(5) . ?
C41 C42A 1.559(5) . ?
C41 C43B 1.510(15) . ?
C41 C44B 1.567(15) . ?
C41 C42B 1.565(16) . ?
C43A F32 1.352(5) . ?
C43A F31 1.358(5) . ?
C43A F33A 1.340(6) . ?
C44A F35 1.375(5) . ?
C44A F36 1.357(6) . ?
C44A F34A 1.338(7) . ?
C42A F30A 1.322(11) . ?
C42A F28 1.358(6) . ?
C42A F29A 1.329(7) . ?
F32 C44B 1.495(16) . ?
F35 C44B 1.461(17) . ?
F31 C43B 1.465(17) . ?
F36 C42B 1.384(18) . ?
F28 C43B 1.438(15) . ?
C43B F29B 1.37(2) . ?
C44B F33B 1.330(18) . ?
C42B F34B 1.36(2) . ?
C42B F35B 1.28(3) . ?

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
P2 Ag1 P1 111.32(2) . 2 ?
P2 Ag1 Sb1 104.200(18) . . ?
P2 Ag1 P3 137.42(2) . . ?
P2 Ag1 P4 107.66(15) . . ?
P1 Ag1 Sb1 133.527(19) 2 . ?
P1 Ag1 P3 108.64(2) 2 . ?
P1 Ag1 P4 134.49(15) 2 . ?
P3 Ag1 Sb1 54.122(18) . . ?
P3 Ag1 P4 47.38(14) . . ?
C16 Mo3 Mo4 127.84(9) . . ?
C16 Mo3 C15 90.31(13) . . ?
C16 Mo3 C19 115.65(12) . . ?
C16 Mo3 C17 83.49(12) . . ?
C16 Mo3 C21 116.21(12) . . ?
C16 Mo3 C20 140.06(12) . . ?
C16 Mo3 C18 83.56(12) . . ?
C16 Mo3 Sb1 88.74(8) . . ?
C16 Mo3 P3 77.86(9) . . ?
C16 Mo3 P4 85.43(17) . . ?
C15 Mo3 Mo4 83.64(9) . . ?
C15 Mo3 C19 140.42(13) . . ?
C15 Mo3 C17 98.08(13) . . ?
C15 Mo3 C21 84.00(13) . . ?
C15 Mo3 C20 106.42(13) . . ?
C15 Mo3 C18 133.82(13) . . ?
C15 Mo3 Sb1 127.17(9) . . ?
C15 Mo3 P3 72.13(9) . . ?
C15 Mo3 P4 121.08(17) . . ?
C19 Mo3 Mo4 100.39(9) . . ?
C19 Mo3 C20 34.92(12) . . ?
C19 Mo3 Sb1 84.95(8) . . ?
C19 Mo3 P3 139.41(9) . . ?
C19 Mo3 P4 91.79(15) . . ?
C17 Mo3 Mo4 148.68(8) . . ?
C17 Mo3 C19 58.99(13) . . ?
C17 Mo3 C21 35.67(12) . . ?
C17 Mo3 C20 58.80(11) . . ?
C17 Mo3 C18 35.80(13) . . ?
C17 Mo3 Sb1 134.16(9) . . ?
C17 Mo3 P3 158.73(9) . . ?
C17 Mo3 P4 139.27(18) . . ?
C21 Mo3 Mo4 114.55(8) . . ?
C21 Mo3 C19 58.29(12) . . ?
C21 Mo3 C20 34.79(12) . . ?
C21 Mo3 Sb1 141.39(9) . . ?
C21 Mo3 P3 152.68(9) . . ?
C21 Mo3 P4 148.01(15) . . ?
C20 Mo3 Mo4 90.56(8) . . ?
C20 Mo3 Sb1 107.52(8) . . ?
C20 Mo3 P3 141.48(8) . . ?
C20 Mo3 P4 113.76(15) . . ?
C18 Mo3 Mo4 134.52(9) . . ?
C18 Mo3 C19 35.21(12) . . ?
C18 Mo3 C21 58.96(12) . . ?
C18 Mo3 C20 58.53(11) . . ?
C18 Mo3 Sb1 98.50(9) . . ?
C18 Mo3 P3 148.36(9) . . ?
C18 Mo3 P4 104.04(17) . . ?
Sb1 Mo3 Mo4 56.982(9) . . ?
P3 Mo3 Mo4 50.946(16) . . ?
P3 Mo3 Sb1 56.100(18) . . ?
P4 Mo3 Mo4 55.73(16) . . ?
P4 Mo3 P3 49.51(14) . . ?
P2 Mo2 Mo1 54.094(17) . . ?
P2 Mo2 P1 49.80(2) . . ?
P1 Mo2 Mo1 51.205(17) . . ?
C8 Mo2 Mo1 130.18(9) . . ?
C8 Mo2 P2 89.00(9) . . ?
C8 Mo2 P1 79.96(9) . . ?
C8 Mo2 C10 141.14(12) . . ?
C8 Mo2 C14 122.99(12) . . ?
C8 Mo2 C11 112.15(12) . . ?
C8 Mo2 C12 82.89(12) . . ?
C8 Mo2 C13 88.31(12) . . ?
C10 Mo2 Mo1 85.18(8) . . ?
C10 Mo2 P2 104.55(8) . . ?
C10 Mo2 P1 136.21(8) . . ?
C14 Mo2 Mo1 105.99(8) . . ?
C14 Mo2 P2 139.46(8) . . ?
C14 Mo2 P1 148.93(8) . . ?
C14 Mo2 C10 34.94(11) . . ?
C14 Mo2 C11 58.75(11) . . ?
C11 Mo2 Mo1 99.83(9) . . ?
C11 Mo2 P2 87.87(8) . . ?
C11 Mo2 P1 136.71(8) . . ?
C11 Mo2 C10 34.88(12) . . ?
C12 Mo2 Mo1 135.17(9) . . ?
C12 Mo2 P2 107.32(9) . . ?
C12 Mo2 P1 151.27(9) . . ?
C12 Mo2 C10 58.39(12) . . ?
C12 Mo2 C14 59.21(12) . . ?
C12 Mo2 C11 35.38(13) . . ?
C13 Mo2 Mo1 141.48(8) . . ?
C13 Mo2 P2 143.11(9) . . ?
C13 Mo2 P1 162.91(9) . . ?
C13 Mo2 C10 59.01(11) . . ?
C13 Mo2 C14 36.02(11) . . ?
C13 Mo2 C11 59.49(12) . . ?
C13 Mo2 C12 35.90(13) . . ?
C9 Mo2 Mo1 87.10(9) . . ?
C9 Mo2 P2 122.44(9) . . ?
C9 Mo2 P1 73.09(9) . . ?
C9 Mo2 C8 87.44(12) . . ?
C9 Mo2 C10 113.33(12) . . ?
C9 Mo2 C14 86.34(12) . . ?
C9 Mo2 C11 145.03(12) . . ?
C9 Mo2 C12 129.04(13) . . ?
C9 Mo2 C13 94.17(12) . . ?
C23 Mo4 Mo3 129.35(9) . . ?
C23 Mo4 C26 83.00(12) . . ?
C23 Mo4 C28 140.12(12) . . ?
C23 Mo4 C25 84.26(12) . . ?
C23 Mo4 C27 114.59(12) . . ?
C23 Mo4 C24 117.59(12) . . ?
C23 Mo4 Sb1 74.26(9) . . ?
C23 Mo4 P3 95.72(9) . . ?
C23 Mo4 P4 78.60(16) . . ?
C22 Mo4 Mo3 83.25(9) . . ?
C22 Mo4 C23 89.58(13) . . ?
C22 Mo4 C26 131.29(13) . . ?
C22 Mo4 C28 107.18(13) . . ?
C22 Mo4 C25 95.66(14) . . ?
C22 Mo4 C27 140.42(13) . . ?
C22 Mo4 C24 83.12(13) . . ?
C22 Mo4 Sb1 75.01(10) . . ?
C22 Mo4 P3 126.84(9) . . ?
C22 Mo4 P4 81.49(15) . . ?
C26 Mo4 Mo3 136.35(9) . . ?
C26 Mo4 C28 58.56(11) . . ?
C26 Mo4 C27 35.16(12) . . ?
C26 Mo4 C24 59.18(12) . . ?
C26 Mo4 Sb1 145.45(8) . . ?
C26 Mo4 P3 101.83(9) . . ?
C26 Mo4 P4 142.24(15) . . ?
C28 Mo4 Mo3 89.18(8) . . ?
C28 Mo4 Sb1 144.41(8) . . ?
C28 Mo4 P3 101.79(8) . . ?
C28 Mo4 P4 138.46(15) . . ?
C25 Mo4 Mo3 146.26(9) . . ?
C25 Mo4 C26 35.80(13) . . ?
C25 Mo4 C28 58.79(12) . . ?
C25 Mo4 C27 58.86(13) . . ?
C25 Mo4 C24 35.87(12) . . ?
C25 Mo4 Sb1 156.45(9) . . ?
C25 Mo4 P3 137.49(10) . . ?
C25 Mo4 P4 162.62(16) . . ?
C27 Mo4 Mo3 101.66(8) . . ?
C27 Mo4 C28 34.86(11) . . ?
C27 Mo4 Sb1 139.64(8) . . ?
C27 Mo4 P3 83.46(8) . . ?
C27 Mo4 P4 131.84(14) . . ?
C24 Mo4 Mo3 111.19(8) . . ?
C24 Mo4 C28 34.74(12) . . ?
C24 Mo4 C27 58.27(12) . . ?
C24 Mo4 Sb1 155.26(9) . . ?
C24 Mo4 P3 136.46(9) . . ?
C24 Mo4 P4 157.55(16) . . ?
Sb1 Mo4 Mo3 55.411(9) . . ?
P3 Mo4 Mo3 53.356(17) . . ?
P3 Mo4 Sb1 56.196(19) . . ?
P3 Mo4 P4 48.49(12) . . ?
P4 Mo4 Mo3 50.75(14) . . ?
P2 Mo1 Mo2 51.105(16) . . ?
P1 Mo1 Mo2 53.693(18) . . ?
P1 Mo1 P2 49.60(2) . . ?
C1 Mo1 Mo2 130.73(8) . . ?
C1 Mo1 P2 81.06(8) . . ?
C1 Mo1 P1 88.37(8) . . ?
C1 Mo1 C6 82.60(12) . . ?
C1 Mo1 C3 122.44(13) . . ?
C1 Mo1 C7 87.95(13) . . ?
C1 Mo1 C4 140.58(12) . . ?
C1 Mo1 C5 111.77(12) . . ?
C6 Mo1 Mo2 133.37(9) . . ?
C6 Mo1 P2 151.33(9) . . ?
C6 Mo1 P1 106.67(9) . . ?
C6 Mo1 C3 59.01(12) . . ?
C6 Mo1 C4 58.15(12) . . ?
C6 Mo1 C5 35.10(13) . . ?
C2 Mo1 Mo2 87.43(9) . . ?
C2 Mo1 P2 72.44(9) . . ?
C2 Mo1 P1 121.69(9) . . ?
C2 Mo1 C1 88.69(12) . . ?
C2 Mo1 C6 130.55(13) . . ?
C2 Mo1 C3 86.87(13) . . ?
C2 Mo1 C7 95.62(13) . . ?
C2 Mo1 C4 113.03(13) . . ?
C2 Mo1 C5 145.23(12) . . ?
C3 Mo1 Mo2 106.36(10) . . ?
C3 Mo1 P2 148.84(9) . . ?
C3 Mo1 P1 139.96(10) . . ?
C3 Mo1 C4 34.79(13) . . ?
C3 Mo1 C5 58.54(12) . . ?
C7 Mo1 Mo2 141.31(9) . . ?
C7 Mo1 P2 163.84(9) . . ?
C7 Mo1 P1 142.40(9) . . ?
C7 Mo1 C6 35.80(13) . . ?
C7 Mo1 C3 35.82(13) . . ?
C7 Mo1 C4 58.68(13) . . ?
C7 Mo1 C5 59.12(13) . . ?
C4 Mo1 Mo2 84.61(8) . . ?
C4 Mo1 P2 135.64(9) . . ?
C4 Mo1 P1 105.18(9) . . ?
C5 Mo1 Mo2 98.36(9) . . ?
C5 Mo1 P2 136.27(9) . . ?
C5 Mo1 P1 87.94(9) . . ?
C5 Mo1 C4 34.85(12) . . ?
Ag1 P2 Mo1 131.49(3) . . ?
Mo2 P2 Ag1 153.56(3) . . ?
Mo2 P2 Mo1 74.80(2) . . ?
P1 P2 Ag1 118.40(3) . . ?
P1 P2 Mo2 67.16(3) . . ?
P1 P2 Mo1 62.72(3) . . ?
Ag1 P1 Mo2 127.54(3) 2 . ?
Mo1 P1 Ag1 156.99(3) . 2 ?
Mo1 P1 Mo2 75.10(2) . . ?
P2 P1 Ag1 123.08(4) . 2 ?
P2 P1 Mo2 63.04(3) . . ?
P2 P1 Mo1 67.67(3) . . ?
O11 Al1 O12 112.16(11) . . ?
O11 Al1 O9 108.44(10) . . ?
O12 Al1 O9 107.03(10) . . ?
O10 Al1 O11 108.45(10) . . ?
O10 Al1 O12 106.85(10) . . ?
O10 Al1 O9 113.98(11) . . ?
C37 O11 Al1 147.84(19) . . ?
C41 O12 Al1 146.9(2) . . ?
C29 O9 Al1 146.6(2) . . ?
C33 O10 Al1 148.20(19) . . ?
O3 C8 Mo2 177.1(3) . . ?
O6 C16 Mo3 175.0(3) . . ?
Mo2 C10 H10 123.2 . . ?
C14 C10 Mo2 70.69(17) . . ?
C14 C10 H10 125.7 . . ?
C14 C10 C11 108.6(3) . . ?
C11 C10 Mo2 72.01(17) . . ?
C11 C10 H10 125.7 . . ?
O5 C15 Mo3 176.3(3) . . ?
O11 C37 C40 111.1(2) . . ?
O11 C37 C39 110.6(2) . . ?
O11 C37 C38 107.9(2) . . ?
C40 C37 C39 109.0(2) . . ?
C40 C37 C38 109.1(2) . . ?
C39 C37 C38 109.0(2) . . ?
O1 C1 Mo1 175.4(3) . . ?
F11 C34 F12 107.6(3) . . ?
F11 C34 C33 110.2(2) . . ?
F12 C34 C33 113.2(3) . . ?
F10 C34 F11 107.2(3) . . ?
F10 C34 F12 107.8(3) . . ?
F10 C34 C33 110.5(2) . . ?
F26 C40 F25 107.4(2) . . ?
F26 C40 F27 107.2(2) . . ?
F26 C40 C37 110.9(2) . . ?
F25 C40 C37 112.8(2) . . ?
F27 C40 F25 107.2(3) . . ?
F27 C40 C37 111.0(2) . . ?
Mo1 C6 H6 120.3 . . ?
C7 C6 Mo1 71.53(18) . . ?
C7 C6 H6 125.6 . . ?
C5 C6 Mo1 74.25(18) . . ?
C5 C6 H6 125.6 . . ?
C5 C6 C7 108.8(3) . . ?
O8 C23 Mo4 173.6(3) . . ?
O2 C2 Mo1 178.1(3) . . ?
O7 C22 Mo4 173.3(3) . . ?
Mo2 C14 H14 120.8 . . ?
C10 C14 Mo2 74.38(17) . . ?
C10 C14 H14 126.0 . . ?
C10 C14 C13 108.1(3) . . ?
C13 C14 Mo2 70.61(16) . . ?
C13 C14 H14 126.0 . . ?
O10 C33 C34 110.9(2) . . ?
O10 C33 C35 110.4(2) . . ?
O10 C33 C36 107.9(2) . . ?
C34 C33 C35 109.3(2) . . ?
C34 C33 C36 108.9(2) . . ?
C35 C33 C36 109.5(2) . . ?
F14 C35 F13 107.7(3) . . ?
F14 C35 C33 111.0(3) . . ?
F15 C35 F14 107.9(3) . . ?
F15 C35 F13 107.2(3) . . ?
F15 C35 C33 110.5(2) . . ?
F13 C35 C33 112.4(3) . . ?
O9 C29 C32 110.5(2) . . ?
O9 C29 C31 107.7(3) . . ?
O9 C29 C30 111.4(2) . . ?
C32 C29 C30 109.0(3) . . ?
C31 C29 C32 109.5(3) . . ?
C31 C29 C30 108.7(3) . . ?
Mo1 C3 H3 120.6 . . ?
C7 C3 Mo1 70.85(17) . . ?
C7 C3 H3 126.0 . . ?
C4 C3 Mo1 74.36(18) . . ?
C4 C3 H3 126.0 . . ?
C4 C3 C7 108.0(3) . . ?
Mo2 C11 H11 122.0 . . ?
C10 C11 Mo2 73.11(17) . . ?
C10 C11 H11 126.4 . . ?
C10 C11 C12 107.2(3) . . ?
C12 C11 Mo2 70.26(17) . . ?
C12 C11 H11 126.4 . . ?
F22 C39 F24 106.6(2) . . ?
F22 C39 C37 112.3(3) . . ?
F24 C39 C37 110.9(2) . . ?
F23 C39 F22 108.3(3) . . ?
F23 C39 F24 107.2(3) . . ?
F23 C39 C37 111.3(2) . . ?
Mo1 C7 H7 119.5 . . ?
C6 C7 Mo1 72.68(18) . . ?
C6 C7 C3 107.2(3) . . ?
C6 C7 H7 126.4 . . ?
C3 C7 Mo1 73.34(18) . . ?
C3 C7 H7 126.4 . . ?
F7 C32 C29 112.7(3) . . ?
F9 C32 F7 107.6(3) . . ?
F9 C32 F8 107.7(3) . . ?
F9 C32 C29 110.8(3) . . ?
F8 C32 F7 107.4(3) . . ?
F8 C32 C29 110.5(3) . . ?
Mo2 C12 H12 120.4 . . ?
C11 C12 Mo2 74.36(18) . . ?
C11 C12 H12 125.5 . . ?
C13 C12 Mo2 71.42(18) . . ?
C13 C12 C11 109.0(3) . . ?
C13 C12 H12 125.5 . . ?
Mo2 C13 H13 119.5 . . ?
C14 C13 Mo2 73.37(17) . . ?
C14 C13 H13 126.4 . . ?
C12 C13 Mo2 72.68(17) . . ?
C12 C13 C14 107.2(3) . . ?
C12 C13 H13 126.4 . . ?
Mo3 C19 H19 121.8 . . ?
C20 C19 Mo3 73.10(18) . . ?
C20 C19 H19 126.0 . . ?
C18 C19 Mo3 70.79(18) . . ?
C18 C19 H19 126.0 . . ?
C18 C19 C20 108.0(3) . . ?
Mo3 C17 H17 119.6 . . ?
C21 C17 Mo3 73.35(18) . . ?
C21 C17 H17 126.3 . . ?
C18 C17 Mo3 72.64(18) . . ?
C18 C17 H17 126.3 . . ?
C18 C17 C21 107.4(3) . . ?
Mo4 C26 H26 120.0 . . ?
C25 C26 Mo4 71.66(18) . . ?
C25 C26 H26 126.0 . . ?
C27 C26 Mo4 74.15(17) . . ?
C27 C26 H26 126.0 . . ?
C27 C26 C25 108.0(3) . . ?
Mo1 C4 H4 123.1 . . ?
C3 C4 Mo1 70.85(18) . . ?
C3 C4 H4 125.7 . . ?
C3 C4 C5 108.5(3) . . ?
C5 C4 Mo1 71.95(18) . . ?
C5 C4 H4 125.7 . . ?
F4 C31 C29 110.3(3) . . ?
F6 C31 F4 107.3(3) . . ?
F6 C31 C29 112.3(3) . . ?
F5 C31 F4 107.3(3) . . ?
F5 C31 F6 108.1(3) . . ?
F5 C31 C29 111.4(3) . . ?
F2 C30 F1 106.8(3) . . ?
F2 C30 F3 107.3(3) . . ?
F2 C30 C29 111.0(3) . . ?
F1 C30 F3 107.2(3) . . ?
F1 C30 C29 111.5(3) . . ?
F3 C30 C29 112.8(3) . . ?
O4 C9 Mo2 178.9(3) . . ?
Mo1 C5 H5 121.6 . . ?
C6 C5 Mo1 70.65(18) . . ?
C6 C5 C4 107.4(3) . . ?
C6 C5 H5 126.3 . . ?
C4 C5 Mo1 73.20(18) . . ?
C4 C5 H5 126.3 . . ?
F18 C36 F17 106.7(3) . . ?
F18 C36 F16 107.6(3) . . ?
F18 C36 C33 110.7(3) . . ?
F17 C36 F16 107.8(3) . . ?
F17 C36 C33 111.0(3) . . ?
F16 C36 C33 112.7(3) . . ?
Mo3 C21 H21 120.9 . . ?
C17 C21 Mo3 70.98(17) . . ?
C17 C21 H21 125.7 . . ?
C20 C21 Mo3 74.13(17) . . ?
C20 C21 C17 108.6(3) . . ?
C20 C21 H21 125.7 . . ?
Mo4 C28 H28 123.0 . . ?
C27 C28 Mo4 71.69(17) . . ?
C27 C28 H28 126.1 . . ?
C24 C28 Mo4 70.85(18) . . ?
C24 C28 H28 126.1 . . ?
C24 C28 C27 107.8(3) . . ?
Mo3 C20 H20 122.5 . . ?
C19 C20 Mo3 71.99(17) . . ?
C19 C20 H20 126.1 . . ?
C21 C20 Mo3 71.08(18) . . ?
C21 C20 C19 107.9(3) . . ?
C21 C20 H20 126.1 . . ?
Mo4 C25 H25 119.7 . . ?
C26 C25 Mo4 72.54(18) . . ?
C26 C25 H25 126.3 . . ?
C26 C25 C24 107.5(3) . . ?
C24 C25 Mo4 73.33(18) . . ?
C24 C25 H25 126.3 . . ?
F19 C38 F20 107.9(3) . . ?
F19 C38 F21 107.6(3) . . ?
F19 C38 C37 110.5(2) . . ?
F20 C38 F21 107.6(2) . . ?
F20 C38 C37 110.9(3) . . ?
F21 C38 C37 112.1(3) . . ?
Mo4 C27 H27 121.7 . . ?
C26 C27 Mo4 70.69(18) . . ?
C26 C27 C28 108.4(3) . . ?
C26 C27 H27 125.8 . . ?
C28 C27 Mo4 73.45(18) . . ?
C28 C27 H27 125.8 . . ?
Mo3 C18 H18 120.3 . . ?
C19 C18 Mo3 74.00(18) . . ?
C19 C18 C17 108.2(3) . . ?
C19 C18 H18 125.9 . . ?
C17 C18 Mo3 71.56(18) . . ?
C17 C18 H18 125.9 . . ?
Mo4 C24 H24 120.7 . . ?
C28 C24 Mo4 74.41(17) . . ?
C28 C24 C25 108.3(3) . . ?
C28 C24 H24 125.9 . . ?
C25 C24 Mo4 70.80(17) . . ?
C25 C24 H24 125.9 . . ?
Cl1 C45 H45A 108.7 . . ?
Cl1 C45 H45B 108.7 . . ?
Cl2 C45 Cl1 114.1(10) . . ?
Cl2 C45 H45A 108.7 . . ?
Cl2 C45 H45B 108.7 . . ?
H45A C45 H45B 107.6 . . ?
Mo3 Sb1 Ag1 99.135(14) . . ?
Mo3 Sb1 Mo4 67.607(10) . . ?
Mo4 Sb1 Ag1 104.578(14) . . ?
P3 Sb1 Ag1 56.121(18) . . ?
P3 Sb1 Mo3 58.053(18) . . ?
P3 Sb1 Mo4 55.304(18) . . ?
Mo3 P3 Ag1 114.19(3) . . ?
Mo4 P3 Ag1 126.93(3) . . ?
Mo4 P3 Mo3 75.70(2) . . ?
Mo4 P3 Sb1 68.50(2) . . ?
Sb1 P3 Ag1 69.76(2) . . ?
Sb1 P3 Mo3 65.847(19) . . ?
P4 P3 Ag1 69.58(17) . . ?
P4 P3 Mo3 63.69(17) . . ?
P4 P3 Mo4 70.36(18) . . ?
O12 C41 C43A 112.3(3) . . ?
O12 C41 C44A 107.4(3) . . ?
O12 C41 C42A 109.4(3) . . ?
O12 C41 C43B 111.7(6) . . ?
O12 C41 C44B 110.8(5) . . ?
O12 C41 C42B 107.4(6) . . ?
C43A C41 C42A 108.5(3) . . ?
C44A C41 C43A 109.9(3) . . ?
C44A C41 C42A 109.3(3) . . ?
C43B C41 C44B 109.5(9) . . ?
C43B C41 C42B 110.6(9) . . ?
C42B C41 C44B 106.6(9) . . ?
F32 C43A C41 108.7(3) . . ?
F32 C43A F31 112.3(4) . . ?
F31 C43A C41 109.6(3) . . ?
F33A C43A C41 112.3(4) . . ?
F33A C43A F32 105.9(4) . . ?
F33A C43A F31 108.0(4) . . ?
F35 C44A C41 108.9(3) . . ?
F36 C44A C41 109.6(3) . . ?
F36 C44A F35 112.0(4) . . ?
F34A C44A C41 113.3(4) . . ?
F34A C44A F35 106.3(4) . . ?
F34A C44A F36 106.8(4) . . ?
F30A C42A C41 111.5(5) . . ?
F30A C42A F28 109.7(5) . . ?
F30A C42A F29A 107.7(6) . . ?
F28 C42A C41 108.1(4) . . ?
F29A C42A C41 112.3(4) . . ?
F29A C42A F28 107.4(4) . . ?
F31 C43B C41 106.5(10) . . ?
F28 C43B C41 106.6(9) . . ?
F28 C43B F31 122.3(11) . . ?
F29B C43B C41 111.1(12) . . ?
F29B C43B F31 106.1(11) . . ?
F29B C43B F28 104.1(12) . . ?
F32 C44B C41 101.1(9) . . ?
F35 C44B C41 103.0(10) . . ?
F35 C44B F32 125.0(10) . . ?
F33B C44B C41 112.3(11) . . ?
F33B C44B F32 105.4(12) . . ?
F33B C44B F35 109.7(11) . . ?
F36 C42B C41 106.6(10) . . ?
F34B C42B C41 111.1(13) . . ?
F34B C42B F36 105.8(13) . . ?
F35B C42B C41 113.1(15) . . ?
F35B C42B F36 114.3(19) . . ?
F35B C42B F34B 105.9(19) . . ?
Mo3 P4 Ag1 111.8(2) . . ?
Mo3 P4 Mo4 73.53(18) . . ?
Mo4 P4 Ag1 114.6(2) . . ?
P3 P4 Ag1 63.04(14) . . ?
P3 P4 Mo3 66.80(17) . . ?
P3 P4 Mo4 61.15(17) . . ?

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
Mo3 C19 C20 C21 -62.4(2) . . . . ?
Mo3 C19 C18 C17 63.9(2) . . . . ?
Mo3 C17 C21 C20 65.1(2) . . . . ?
Mo3 C17 C18 C19 -65.5(2) . . . . ?
Mo3 C21 C20 C19 63.0(2) . . . . ?
Mo2 C10 C14 C13 63.0(2) . . . . ?
Mo2 C10 C11 C12 -62.4(2) . . . . ?
Mo2 C14 C13 C12 65.3(2) . . . . ?
Mo2 C11 C12 C13 -63.5(2) . . . . ?
Mo2 C12 C13 C14 -65.8(2) . . . . ?
Mo4 C26 C25 C24 65.5(2) . . . . ?
Mo4 C26 C27 C28 -64.2(2) . . . . ?
Mo4 C28 C27 C26 62.5(2) . . . . ?
Mo4 C28 C24 C25 -63.1(2) . . . . ?
Mo4 C25 C24 C28 65.5(2) . . . . ?
Mo1 C6 C7 C3 -65.7(2) . . . . ?
Mo1 C6 C5 C4 64.5(2) . . . . ?
Mo1 C3 C7 C6 65.3(2) . . . . ?
Mo1 C3 C4 C5 -62.5(2) . . . . ?
Mo1 C4 C5 C6 -62.8(2) . . . . ?
Al1 O11 C37 C40 55.2(5) . . . . ?
Al1 O11 C37 C39 -66.0(4) . . . . ?
Al1 O11 C37 C38 174.8(3) . . . . ?
Al1 O12 C41 C43A 11.6(5) . . . . ?
Al1 O12 C41 C44A 132.5(4) . . . . ?
Al1 O12 C41 C42A -109.0(4) . . . . ?
Al1 O12 C41 C43B -58.3(8) . . . . ?
Al1 O12 C41 C44B 64.1(8) . . . . ?
Al1 O12 C41 C42B -179.8(8) . . . . ?
Al1 O9 C29 C32 -60.0(5) . . . . ?
Al1 O9 C29 C31 -179.6(3) . . . . ?
Al1 O9 C29 C30 61.3(5) . . . . ?
Al1 O10 C33 C34 -42.9(5) . . . . ?
Al1 O10 C33 C35 78.4(4) . . . . ?
Al1 O10 C33 C36 -162.0(3) . . . . ?
F11 C34 C33 O10 48.2(3) . . . . ?
F11 C34 C33 C35 -73.7(3) . . . . ?
F11 C34 C33 C36 166.7(2) . . . . ?
O11 Al1 O12 C41 -78.7(4) . . . . ?
O11 Al1 O9 C29 -151.1(4) . . . . ?
O11 Al1 O10 C33 -46.5(4) . . . . ?
O11 C37 C40 F26 -43.5(3) . . . . ?
O11 C37 C40 F25 -164.0(2) . . . . ?
O11 C37 C40 F27 75.6(3) . . . . ?
O11 C37 C39 F22 -160.3(2) . . . . ?
O11 C37 C39 F24 80.5(3) . . . . ?
O11 C37 C39 F23 -38.7(3) . . . . ?
O11 C37 C38 F19 -45.3(3) . . . . ?
O11 C37 C38 F20 74.3(3) . . . . ?
O11 C37 C38 F21 -165.4(3) . . . . ?
O12 Al1 O11 C37 -81.7(4) . . . . ?
O12 Al1 O9 C29 -29.9(4) . . . . ?
O12 Al1 O10 C33 -167.6(3) . . . . ?
O12 C41 C43A F32 43.0(4) . . . . ?
O12 C41 C43A F31 -80.1(4) . . . . ?
O12 C41 C43A F33A 159.8(3) . . . . ?
O12 C41 C44A F35 -77.3(4) . . . . ?
O12 C41 C44A F36 45.5(4) . . . . ?
O12 C41 C44A F34A 164.6(4) . . . . ?
O12 C41 C42A F30A -71.2(6) . . . . ?
O12 C41 C42A F28 49.5(4) . . . . ?
O12 C41 C42A F29A 167.8(4) . . . . ?
O12 C41 C43B F31 83.3(8) . . . . ?
O12 C41 C43B F28 -48.8(11) . . . . ?
O12 C41 C43B F29B -161.6(10) . . . . ?
O12 C41 C44B F32 -55.6(9) . . . . ?
O12 C41 C44B F35 74.6(8) . . . . ?
O12 C41 C44B F33B -167.5(10) . . . . ?
O12 C41 C42B F36 -48.2(11) . . . . ?
O12 C41 C42B F34B -163.0(11) . . . . ?
O12 C41 C42B F35B 78(2) . . . . ?
F12 C34 C33 O10 168.8(2) . . . . ?
F12 C34 C33 C35 46.9(3) . . . . ?
F12 C34 C33 C36 -72.7(3) . . . . ?
O9 Al1 O11 C37 36.2(4) . . . . ?
O9 Al1 O12 C41 162.5(4) . . . . ?
O9 Al1 O10 C33 74.4(4) . . . . ?
O9 C29 C32 F7 165.3(3) . . . . ?
O9 C29 C32 F9 44.7(4) . . . . ?
O9 C29 C32 F8 -74.6(3) . . . . ?
O9 C29 C31 F4 -76.6(3) . . . . ?
O9 C29 C31 F6 163.8(3) . . . . ?
O9 C29 C31 F5 42.4(4) . . . . ?
O9 C29 C30 F2 39.8(4) . . . . ?
O9 C29 C30 F1 -79.1(3) . . . . ?
O9 C29 C30 F3 160.2(3) . . . . ?
O10 Al1 O11 C37 160.5(4) . . . . ?
O10 Al1 O12 C41 40.0(4) . . . . ?
O10 Al1 O9 C29 88.0(4) . . . . ?
O10 C33 C35 F14 -75.1(3) . . . . ?
O10 C33 C35 F15 44.5(3) . . . . ?
O10 C33 C35 F13 164.3(2) . . . . ?
O10 C33 C36 F18 44.2(3) . . . . ?
O10 C33 C36 F17 -74.1(3) . . . . ?
O10 C33 C36 F16 164.8(3) . . . . ?
F10 C34 C33 O10 -70.2(3) . . . . ?
F10 C34 C33 C35 167.9(3) . . . . ?
F10 C34 C33 C36 48.3(3) . . . . ?
C10 C14 C13 Mo2 -65.5(2) . . . . ?
C10 C14 C13 C12 -0.1(3) . . . . ?
C10 C11 C12 Mo2 64.3(2) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C34 C33 C35 F14 47.1(3) . . . . ?
C34 C33 C35 F15 166.7(3) . . . . ?
C34 C33 C35 F13 -73.5(3) . . . . ?
C34 C33 C36 F18 -76.2(3) . . . . ?
C34 C33 C36 F17 165.5(3) . . . . ?
C34 C33 C36 F16 44.4(4) . . . . ?
C40 C37 C39 F22 77.3(3) . . . . ?
C40 C37 C39 F24 -41.9(3) . . . . ?
C40 C37 C39 F23 -161.1(3) . . . . ?
C40 C37 C38 F19 75.5(3) . . . . ?
C40 C37 C38 F20 -164.9(2) . . . . ?
C40 C37 C38 F21 -44.5(3) . . . . ?
C14 C10 C11 Mo2 61.6(2) . . . . ?
C14 C10 C11 C12 -0.8(3) . . . . ?
C35 C33 C36 F18 164.3(3) . . . . ?
C35 C33 C36 F17 46.0(3) . . . . ?
C35 C33 C36 F16 -75.1(3) . . . . ?
C3 C4 C5 Mo1 61.8(2) . . . . ?
C3 C4 C5 C6 -1.0(4) . . . . ?
C11 C10 C14 Mo2 -62.4(2) . . . . ?
C11 C10 C14 C13 0.6(3) . . . . ?
C11 C12 C13 Mo2 65.4(2) . . . . ?
C11 C12 C13 C14 -0.4(3) . . . . ?
C39 C37 C40 F26 78.6(3) . . . . ?
C39 C37 C40 F25 -41.9(3) . . . . ?
C39 C37 C40 F27 -162.3(2) . . . . ?
C39 C37 C38 F19 -165.5(2) . . . . ?
C39 C37 C38 F20 -45.9(3) . . . . ?
C39 C37 C38 F21 74.4(3) . . . . ?
C7 C6 C5 Mo1 -63.7(2) . . . . ?
C7 C6 C5 C4 0.8(4) . . . . ?
C7 C3 C4 Mo1 63.3(2) . . . . ?
C7 C3 C4 C5 0.8(4) . . . . ?
C32 C29 C31 F4 163.2(3) . . . . ?
C32 C29 C31 F6 43.6(4) . . . . ?
C32 C29 C31 F5 -77.8(4) . . . . ?
C32 C29 C30 F2 162.0(3) . . . . ?
C32 C29 C30 F1 43.1(3) . . . . ?
C32 C29 C30 F3 -77.6(3) . . . . ?
C17 C21 C20 Mo3 -63.1(2) . . . . ?
C17 C21 C20 C19 -0.1(4) . . . . ?
C26 C25 C24 Mo4 -65.0(2) . . . . ?
C26 C25 C24 C28 0.5(4) . . . . ?
C4 C3 C7 Mo1 -65.6(2) . . . . ?
C4 C3 C7 C6 -0.3(3) . . . . ?
C31 C29 C32 F7 -76.2(4) . . . . ?
C31 C29 C32 F9 163.2(3) . . . . ?
C31 C29 C32 F8 43.9(3) . . . . ?
C31 C29 C30 F2 -78.7(3) . . . . ?
C31 C29 C30 F1 162.4(3) . . . . ?
C31 C29 C30 F3 41.7(4) . . . . ?
C30 C29 C32 F7 42.6(4) . . . . ?
C30 C29 C32 F9 -78.0(3) . . . . ?
C30 C29 C32 F8 162.7(3) . . . . ?
C30 C29 C31 F4 44.2(4) . . . . ?
C30 C29 C31 F6 -75.4(3) . . . . ?
C30 C29 C31 F5 163.2(3) . . . . ?
C5 C6 C7 Mo1 65.4(2) . . . . ?
C5 C6 C7 C3 -0.3(4) . . . . ?
C36 C33 C35 F14 166.3(2) . . . . ?
C36 C33 C35 F15 -74.0(3) . . . . ?
C36 C33 C35 F13 45.7(3) . . . . ?
C21 C17 C18 Mo3 65.6(2) . . . . ?
C21 C17 C18 C19 0.2(4) . . . . ?
C20 C19 C18 Mo3 -64.1(2) . . . . ?
C20 C19 C18 C17 -0.2(3) . . . . ?
C25 C26 C27 Mo4 64.1(2) . . . . ?
C25 C26 C27 C28 -0.1(3) . . . . ?
C38 C37 C40 F26 -162.4(2) . . . . ?
C38 C37 C40 F25 77.1(3) . . . . ?
C38 C37 C40 F27 -43.3(3) . . . . ?
C38 C37 C39 F22 -41.8(3) . . . . ?
C38 C37 C39 F24 -160.9(2) . . . . ?
C38 C37 C39 F23 79.8(3) . . . . ?
C27 C26 C25 Mo4 -65.8(2) . . . . ?
C27 C26 C25 C24 -0.2(4) . . . . ?
C27 C28 C24 Mo4 62.6(2) . . . . ?
C27 C28 C24 C25 -0.6(3) . . . . ?
C18 C19 C20 Mo3 62.6(2) . . . . ?
C18 C19 C20 C21 0.2(3) . . . . ?
C18 C17 C21 Mo3 -65.2(2) . . . . ?
C18 C17 C21 C20 -0.1(4) . . . . ?
C24 C28 C27 Mo4 -62.0(2) . . . . ?
C24 C28 C27 C26 0.4(3) . . . . ?
C43A C41 C44A F35 45.1(4) . . . . ?
C43A C41 C44A F36 167.9(3) . . . . ?
C43A C41 C44A F34A -73.0(5) . . . . ?
C43A C41 C42A F30A 166.0(5) . . . . ?
C43A C41 C42A F28 -73.3(4) . . . . ?
C43A C41 C42A F29A 45.0(5) . . . . ?
C44A C41 C43A F32 -76.5(4) . . . . ?
C44A C41 C43A F31 160.4(3) . . . . ?
C44A C41 C43A F33A 40.3(5) . . . . ?
C44A C41 C42A F30A 46.2(6) . . . . ?
C44A C41 C42A F28 166.8(3) . . . . ?
C44A C41 C42A F29A -74.8(5) . . . . ?
C42A C41 C43A F32 164.0(3) . . . . ?
C42A C41 C43A F31 41.0(4) . . . . ?
C42A C41 C43A F33A -79.1(4) . . . . ?
C42A C41 C44A F35 164.1(3) . . . . ?
C42A C41 C44A F36 -73.0(4) . . . . ?
C42A C41 C44A F34A 46.0(5) . . . . ?
C43B C41 C44B F32 68.1(10) . . . . ?
C43B C41 C44B F35 -161.7(8) . . . . ?
C43B C41 C44B F33B -43.8(15) . . . . ?
C43B C41 C42B F36 -170.3(9) . . . . ?
C43B C41 C42B F34B 74.9(15) . . . . ?
C43B C41 C42B F35B -44(2) . . . . ?
C44B C41 C43B F31 -39.9(11) . . . . ?
C44B C41 C43B F28 -172.0(9) . . . . ?
C44B C41 C43B F29B 75.2(14) . . . . ?
C44B C41 C42B F36 70.6(11) . . . . ?
C44B C41 C42B F34B -44.1(15) . . . . ?
C44B C41 C42B F35B -163.0(19) . . . . ?
C42B C41 C43B F31 -157.2(9) . . . . ?
C42B C41 C43B F28 70.8(11) . . . . ?
C42B C41 C43B F29B -42.0(14) . . . . ?
C42B C41 C44B F32 -172.2(8) . . . . ?
C42B C41 C44B F35 -42.0(10) . . . . ?
C42B C41 C44B F33B 75.9(14) . . . . ?

_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 1.286
_oxdiff_exptl_absorpt_empirical_full_min 0.792
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh166_mo_mp_nc_abs_ana
_database_code_depnum_ccdc_archive 'CCDC 2300856'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2020-09-04
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H40 Ag2 Mo8 O16 P4 Sb4, 2(Al C16 F36 O4), 3(C H2 Cl2)'
_chemical_formula_sum            'C91 H46 Ag2 Al2 Cl6 F72 Mo8 O24 P4 Sb4'
_chemical_formula_weight         4752.08
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         Ag2Al2C91Cl6F72Mo8O24P4Sb4
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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'
Sb Sb -0.5866 1.5461 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.54110(10)
_cell_length_b                   29.9273(4)
_cell_length_c                   21.4675(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.3940(10)
_cell_angle_gamma                90
_cell_volume                     6766.37(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24403
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      32.1330
_cell_measurement_theta_min      2.0890
_shelx_estimated_absorpt_T_max   0.756
_shelx_estimated_absorpt_T_min   0.373
_exptl_absorpt_coefficient_mu    2.120
_exptl_absorpt_correction_T_max  0.764
_exptl_absorpt_correction_T_min  0.396
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.76a (Rigaku Oxford Diffraction, 2020)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.332
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4508
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 0 -30 0.0675
2 0 30 0.0675
-1 -42 0 0.2243
-2 21 -26 0.1056
1 42 3 0.2338
0 42 -3 0.2264
12 25 -7 0.2756
12 -25 -3 0.2028
-12 25 3 0.2823
-11 5 20 0.2524
-9 -22 18 0.3016
10 -24 -16 0.1804
-9 25 -16 0.2036
-11 6 -18 0.1983
-10 -26 -13 0.2719
-14 16 -4 0.2289
-15 3 -4 0.2562

_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.14
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.3742 0.0330 -29.6551 -0.3317 -0.9375 0.1055
2.3742 -0.0330 29.6551 0.3317 0.9375 -0.1055
-0.9186 -42.0964 -0.0479 -0.0362 -0.1124 -0.9930
-1.5916 21.4503 -25.6948 -0.2692 -0.7559 0.5968
1.1869 41.7460 3.4926 0.0744 0.2204 0.9726
0.0852 41.9231 -3.3046 0.0308 -0.0137 0.9994
11.6151 24.9639 -6.9201 -0.7244 0.2542 0.6408
11.9172 -25.0463 -3.1510 -0.7871 0.2797 -0.5498
-11.9344 24.9784 3.1636 0.7881 -0.2801 0.5481
-11.4419 5.2634 19.9112 0.9829 0.1828 0.0229
-9.4985 -21.7128 18.0755 0.7857 0.1474 -0.6008
9.7727 -23.9226 -15.8549 -0.8620 -0.1593 -0.4811
-8.5899 25.4366 -15.8942 0.2960 -0.7111 0.6377
-11.3497 5.6418 -18.1387 0.3777 -0.9095 0.1735
-9.8059 -25.6178 -12.5513 0.3116 -0.7530 -0.5795
-13.5090 15.8709 -4.3074 0.7416 -0.5675 0.3578
-14.6336 3.2928 -3.5010 0.7925 -0.6072 0.0560

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            46336
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.017
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5096
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -97.00   9.00   0.50   10.00    --  -19.91 -38.00  30.00  212
  2  ω    -22.00  58.00   0.50   10.00    --  -19.91  38.00-180.00  160
  3  ω    -13.00  39.00   0.50   10.00    --   21.62  77.00  60.00  104
  4  ω   -110.00 -67.00   0.50   10.00    --  -19.91 178.00 -60.00   86
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0574650000
_diffrn_orient_matrix_UB_12      0.0020961000
_diffrn_orient_matrix_UB_13      0.0157876000
_diffrn_orient_matrix_UB_21      0.0350241000
_diffrn_orient_matrix_UB_22      0.0018725000
_diffrn_orient_matrix_UB_23      0.0288106000
_diffrn_orient_matrix_UB_31      0.0023582000
_diffrn_orient_matrix_UB_32      0.0235416000
_diffrn_orient_matrix_UB_33      -0.0037203000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.824
_reflns_Friedel_fraction_full    0.912
_reflns_Friedel_fraction_max     0.854
_reflns_number_gt                28398
_reflns_number_total             31124
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.97
_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 1.171.41.76a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.76a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.76a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.266
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.134
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.38(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2657
_refine_ls_number_reflns         31124
_refine_ls_number_restraints     1839
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.068
_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)+(0.0563P)²+10.8146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1100
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.62(2)
 0.38(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Restrained distances
 C12A-C14A = C13A-C11A
 2.35 with sigma of 0.02
 C6B-C3B
 2.35 with sigma of 0.02
 C12A-C10A
 2.35 with sigma of 0.02
 C7B-C4B
 2.35 with sigma of 0.02
 F35B-C67B \\sim F36B-C67B \\sim F36A-C67A \\sim F34B-C67B \\sim F34A-C67A
\\sim F35A-C67A
 with sigma of 0.02
 F31-F33B \\sim F33B-F32 \\sim F32-F31
 with sigma of 0.02
 F45B-C71B \\sim F43B-C71B \\sim F44B-C71B \\sim F41B-C70B \\sim F42B-C70B
\\sim F40B-C70B \\sim F39B-
 C69B \\sim F37B-C69B \\sim F38B-C69B
 with sigma of 0.04
 Cl6A-C86A \\sim Cl6B-C86B \\sim Cl5B-C86B \\sim Cl5A-C86A
 with sigma of 0.02
 F34B-F35B \\sim F35B-F36B \\sim F36B-F34B
 with sigma of 0.02
 F45B-F43B \\sim F43B-F44B \\sim F44B-F45B
 with sigma of 0.02
 F29A-C65A \\sim F30-C65A \\sim F28A-C65A \\sim F29B-C65B \\sim F28B-C65B \\sim
F30-C65B
 with sigma of 0.02
 F26A-C63A \\sim F25A-C63A \\sim F27A-C63A \\sim F25B-C63B \\sim F26B-C63B
\\sim F27B-C63B
 with sigma of 0.02
 F47A-C73 \\sim F48A-C73 \\sim F46-C73
 with sigma of 0.02
 C21A-C20A \\sim C21B-C20B \\sim C21A-C17A \\sim C17B-C21B \\sim C17B-C18B
\\sim C18A-C17A \\sim C18A-
 C19A \\sim C19B-C18B \\sim C20A-C19A \\sim C19B-C20B
 with sigma of 0.02
 F25B-F26B \\sim F26B-F27B \\sim F27B-F25B
 with sigma of 0.02
 F43A-C71A \\sim F44A-C71A \\sim F45A-C71A \\sim F41A-C70A \\sim F42A-C70A
\\sim F40A-C70A \\sim F39A-
 C69A \\sim F37A-C69A \\sim F38A-C69A
 with sigma of 0.04
 F43A-F44A \\sim F44A-F45A \\sim F45A-F43A
 with sigma of 0.02
 C68-C71B \\sim C68-C70B \\sim C68-C69B
 with sigma of 0.04
 C70B-C68 \\sim C70A-C68 \\sim C71B-C68 \\sim C71A-C68 \\sim C68-C69A \\sim
C69B-C68
 with sigma of 0.04
 C17B-C21B \\sim C17B-C18B \\sim C19B-C18B \\sim C19B-C20B \\sim C21B-C20B
 with sigma of 0.02
 C3B-C4B \\sim C4B-C5B \\sim C7B-C6B \\sim C5B-C6B \\sim C3B-C7B \\sim C3A-C4A
 with sigma of 0.02
 C14A-C10A \\sim C13A-C14A \\sim C12A-C13A \\sim C12A-C11A \\sim C11A-C10A
 with sigma of 0.02
 O2B-C2B \\sim O2A-C2A
 with sigma of 0.02
 Mo2A-C8A \\sim Mo2B-C8B
 with sigma of 0.02
 Mo1B-C2B \\sim Mo1A-C2A
 with sigma of 0.02
 C4B-C6B \\sim C5B-C7B
 with sigma of 0.02
 C3A-C4A \\sim C4A-C5A \\sim C6A-C5A \\sim C7A-C6A \\sim C7A-C3A
 with sigma of 0.02
 Cl4A-C85A \\sim Cl3B-C85B \\sim Cl3A-C85A \\sim Cl4B-C85B
 with sigma of 0.02
 O3A-C8A \\sim O3B-C8B
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
F35A \\sim C67A \\sim F35B \\sim F36A \\sim F36B \\sim F34B \\sim F34A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
Mo1B \\sim Mo1A \\sim Mo2A \\sim Mo2B: within 3.3A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 3.3A
F33B \\sim C66B \\sim F32: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
Cl6A \\sim C86A \\sim Cl5A \\sim Cl6B \\sim C86B \\sim Cl5B: within 1.9A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 1.9A
F44A \\sim F45A \\sim C71A \\sim F44B \\sim F43A \\sim C71B \\sim F43B \\sim
F45B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 1.7A
F25B \\sim C63B \\sim F26B \\sim F27B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
C64 \\sim C65B \\sim C65A \\sim C66B \\sim C66A \\sim C67A \\sim C67B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
F29A \\sim C65A \\sim F30 \\sim F28A \\sim F29B \\sim F28B \\sim C65B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
O20A \\sim O20B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
C70A \\sim C71A \\sim C69A: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
F48B \\sim F48A \\sim F46 \\sim C73 \\sim F47A \\sim F47B: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C19A \\sim C19B \\sim C20A \\sim C20B \\sim C21A \\sim C21B \\sim C17B \\sim
C17A \\sim C18B \\sim C18A: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
C68 \\sim C69B \\sim C69A \\sim C71B \\sim C71A \\sim C70B \\sim C70A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C13A \\sim C14A \\sim C10A \\sim C17 \\sim C11A \\sim C7 \\sim C12A \\sim C20
\\sim C61 \\sim C62: within 1.7A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 1.7A
F41A \\sim C70A \\sim F41B \\sim F42A \\sim F42B \\sim F40B \\sim F40A \\sim
C70B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 1.7A
F38A \\sim F37B \\sim C69A \\sim F37A \\sim C69B \\sim F38B \\sim F39A \\sim
F39B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 1.7A
O3B \\sim O3A \\sim C8B \\sim C8A: within 1.7A with sigma of 0.02 and sigma for
terminal atoms of 0.02 within 1.7A
C2B \\sim C2A \\sim O2A \\sim O2B: within 1.9A with sigma of 0.02 and sigma for
terminal atoms of 0.02 within 1.9A
C7B \\sim C3B \\sim C4B \\sim C5B \\sim C1A \\sim C6B \\sim O1A: within 1.9A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.9A
C56 \\sim C59 \\sim C57 \\sim C58: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
C85B \\sim Cl4B \\sim Cl3B \\sim C85A \\sim Cl4A \\sim Cl3A: within 1.9A with
sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.9A
F15B \\sim F15A \\sim C58 \\sim F13A \\sim F13B \\sim F14B \\sim F14A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
F18 \\sim F16A \\sim F16B \\sim F17A \\sim F17B \\sim C59: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
F10A \\sim F10B \\sim F11B \\sim C57 \\sim F11A \\sim F12B \\sim F12A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
C60 \\sim C62B \\sim C62A \\sim C63A \\sim C63B \\sim C61B \\sim C61A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C62B \\sim F22B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
F20B \\sim C61B \\sim F21B \\sim F19B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F5A \\sim C54A \\sim F6A \\sim F4 \\sim F5B \\sim C54B \\sim F6B: within 1.7A
with sigma of 0.02 and sigma for terminal atoms of 0.02 within 1.7A
F8A \\sim C55A \\sim F8B \\sim F9A \\sim F7 \\sim C55B \\sim F9B: within 1.7A
with sigma of 0.02 and sigma for terminal atoms of 0.02 within 1.7A
F2A \\sim C53A \\sim F3A \\sim F1 \\sim F2B \\sim C53B \\sim F3B: within 1.7A
with sigma of 0.02 and sigma for terminal atoms of 0.02 within 1.7A
O19B \\sim O19A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
Uanis(C2B) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.08
5. Others
 Fixed Sof: Mo3A(0.52) Mo2A(0.76) Mo1A(0.76) Cl4A(0.75) Cl6A(0.8) Cl5A(0.8)
 Cl3A(0.75) F48A(0.68) O3A(0.76) O2A(0.76) C8A(0.76) C2A(0.76) C17(0.76)
 H17(0.76) F47A(0.68) C61(0.76) H61(0.76) C20(0.76) H20(0.76) C1A(0.76)
 C85A(0.75) H85A(0.75) H85B(0.75) C19A(0.52) H19A(0.52) C20A(0.52) H20A(0.52)
 C62(0.76) H62(0.76) C5A(0.76) H5A(0.76) C7(0.76) H7(0.76) C4A(0.76) H4A(0.76)
 C17A(0.52) H17A(0.52) C6A(0.76) H6A(0.76) C18A(0.52) H18A(0.52) C3A(0.76)
 H3A(0.76) O1A(0.76) C7A(0.76) H7A(0.76) C21A(0.52) H21A(0.52) C86A(0.8)
 H86A(0.8) H86B(0.8) Mo1B(0.24) Mo2B(0.24) C71A(0.55) F43A(0.55) F44A(0.55)
 F45A(0.55) C70A(0.55) F41A(0.55) F42A(0.55) F40A(0.55) C69A(0.55) F39A(0.55)
 F37A(0.55) F38A(0.55) C53A(0.5) F2A(0.5) F3A(0.5) C55A(0.5) F8A(0.5) F9A(0.5)
 C54A(0.5) F5A(0.5) F6A(0.5) C53B(0.5) F2B(0.5) F3B(0.5) C55B(0.5) F9B(0.5)
 F8B(0.5) C54B(0.5) F5B(0.5) F6B(0.5) C18B(0.48) H18B(0.48) C17B(0.48)
 H17B(0.48) C21B(0.48) H21B(0.48) C20B(0.48) H20B(0.48) C19B(0.48) H19B(0.48)
 Mo3B(0.48) F12A(0.46) F10A(0.46) F11A(0.46) F16B(0.54) F17B(0.54) F14A(0.46)
 F15A(0.46) F13A(0.46) F10B(0.54) F12B(0.54) F11B(0.54) F16A(0.46) F17A(0.46)
 F15B(0.54) F14B(0.54) F13B(0.54) O20A(0.71) C67A(0.71) F34A(0.71) F35A(0.71)
 F36A(0.71) C66A(0.71) F33A(0.71) C65A(0.71) F29A(0.71) F28A(0.71) O20B(0.29)
 C67B(0.29) F34B(0.29) F35B(0.29) F36B(0.29) C66B(0.29) F33B(0.29) C65B(0.29)
 F29B(0.29) F28B(0.29) C12A(0.24) H12A(0.24) C13A(0.24) H13A(0.24) C14A(0.24)
 H14A(0.24) C10A(0.24) H10A(0.24) C11A(0.24) H11A(0.24) C8B(0.24) O3B(0.24)
 O19A(0.7) C62A(0.7) F22A(0.7) C61A(0.7) F19A(0.7) F20A(0.7) F21A(0.7)
 C63A(0.7) F25A(0.7) F26A(0.7) F27A(0.7) O19B(0.3) C62B(0.3) F22B(0.3)
 C61B(0.3) F19B(0.3) F20B(0.3) F21B(0.3) C63B(0.3) F25B(0.3) F26B(0.3)
 F27B(0.3) C3B(0.24) H3B(0.24) C7B(0.24) H7B(0.24) C6B(0.24) H6B(0.24)
 C5B(0.24) H5B(0.24) C4B(0.24) H4B(0.24) C2B(0.24) O2B(0.24) C1B(0.24)
 O1B(0.24) C71B(0.45) F45B(0.45) F43B(0.45) F44B(0.45) C70B(0.45) F41B(0.45)
 F42B(0.45) F40B(0.45) C69B(0.45) F39B(0.45) F37B(0.45) F38B(0.45) F48B(0.32)
 F47B(0.32) Cl6B(0.2) Cl5B(0.2) C86B(0.2) H86C(0.2) H86D(0.2) Cl4B(0.25)
 Cl3B(0.25) C85B(0.25) H85C(0.25) H85D(0.25)
6.a Ternary CH refined with riding coordinates:
 C18A(H18A), C21A(H21A), C20B(H20B)
6.b Secondary CH2 refined with riding coordinates:
 C85A(H85A,H85B), C84(H84A,H84B), C86A(H86A,H86B), C86B(H86C,H86D), C85B(H85C,
 H85D)
6.c Aromatic/amide H refined with riding coordinates:
 C53(H53), C46(H46), C45(H45), C55(H55), C1(H1), C42(H42), C49(H49), C5(H5),
 C24(H24), C17(H17), C54(H54), C61(H61), C38(H38), C47(H47), C35(H35), C32(H32),
  C25(H25), C26(H26), C40(H40), C20(H20), C34(H34), C41(H41), C48(H48),
 C27(H27), C28(H28), C19A(H19A), C39(H39), C20A(H20A), C33(H33), C62(H62),
 C31(H31), C5A(H5A), C7(H7), C4A(H4A), C17A(H17A), C6A(H6A), C3A(H3A), C7A(H7A),
  C18B(H18B), C17B(H17B), C21B(H21B), C19B(H19B), C12A(H12A), C13A(H13A),
 C14A(H14A), C10A(H10A), C11A(H11A), C3B(H3B), C7B(H7B), C6B(H6B), C5B(H5B),
 C4B(H4B)
;
_atom_sites_solution_hydrogens   geom
_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
Sb1 Sb 1.10596(6) 0.69725(2) 0.05424(3) 0.02964(14) Uani 1 1 d . . . . .
Sb3 Sb 1.11147(6) 0.59645(2) 0.49516(3) 0.02965(14) Uani 1 1 d . . . . .
Sb2 Sb 0.84745(6) 0.70915(2) 0.06243(3) 0.03220(14) Uani 1 1 d . . . . .
Sb4 Sb 0.90450(6) 0.54448(2) 0.45796(3) 0.03130(14) Uani 1 1 d . . . . .
Ag1 Ag 0.99611(7) 0.67442(3) 0.16483(4) 0.03172(16) Uani 1 1 d . . . . .
Ag2 Ag 1.01025(7) 0.60512(2) 0.37340(4) 0.03224(16) Uani 1 1 d . . . . .
Mo8 Mo 1.09317(8) 0.50556(3) 0.53149(4) 0.02689(17) Uani 1 1 d . . . . .
Mo6 Mo 0.95503(8) 0.67794(3) -0.04809(4) 0.02967(17) Uani 1 1 d . . . . .
Mo7 Mo 0.92555(8) 0.58354(3) 0.57818(4) 0.02931(17) Uani 1 1 d . . . . .
Mo5 Mo 0.98200(8) 0.77470(3) 0.00550(4) 0.02865(17) Uani 1 1 d . . . . .
Mo4 Mo 1.04702(9) 0.75572(3) 0.35831(4) 0.0351(2) Uani 1 1 d . . . . .
Mo3A Mo 0.7757(13) 0.7401(4) 0.3189(7) 0.0287(12) Uani 0.52 1 d . . P A 1
Mo2A Mo 1.2116(4) 0.54040(11) 0.1917(2) 0.0288(6) Uani 0.76 1 d D U P B 1
Mo1A Mo 0.92669(15) 0.52500(6) 0.20762(9) 0.0370(4) Uani 0.76 1 d D U P B 1
P3 P 0.9729(2) 0.71592(9) 0.26390(13) 0.0300(5) Uani 1 1 d . . . . .
P4 P 0.9328(3) 0.68187(9) 0.34613(13) 0.0331(6) Uani 1 1 d . . . . .
P1 P 1.0321(3) 0.59408(9) 0.19128(14) 0.0391(6) Uani 1 1 d . . . . .
P2 P 1.0808(3) 0.56611(9) 0.27829(13) 0.0321(5) Uani 1 1 d . . . . .
Al1 Al 1.4890(2) 0.31281(8) 0.34038(13) 0.0205(5) Uani 1 1 d . . . . .
Al2 Al 0.4508(3) 0.47856(10) -0.15873(14) 0.0275(6) Uani 1 1 d . . . . .
Cl2 Cl 1.3326(5) 0.74373(18) 0.1961(3) 0.0884(14) Uani 1 1 d . . . . .
Cl4A Cl 0.4602(5) 0.69877(19) 0.0187(2) 0.0622(12) Uani 0.75 1 d D U P C 1
Cl1 Cl 1.5525(5) 0.7788(2) 0.1364(3) 0.0953(15) Uani 1 1 d . . . . .
Cl6A Cl 1.5007(6) 0.5673(3) 0.4789(3) 0.0857(17) Uani 0.8 1 d D U P D 1
Cl5A Cl 1.5553(7) 0.6011(3) 0.3564(4) 0.105(2) Uani 0.8 1 d D U P D 1
O10 O 1.0748(9) 0.8096(3) 0.1374(4) 0.049(2) Uani 1 1 d . . . . .
O11 O 0.6716(8) 0.7025(3) -0.0861(4) 0.049(2) Uani 1 1 d . . . . .
Cl3A Cl 0.5260(11) 0.6105(3) 0.0655(4) 0.113(3) Uani 0.75 1 d D U P C 1
F63 F 0.0549(10) 0.5296(3) -0.1597(7) 0.102(4) Uani 1 1 d . . . . .
O22 O 0.5163(9) 0.4421(3) -0.2101(4) 0.047(2) Uani 1 1 d . . . . .
O8 O 0.9923(10) 0.7234(4) 0.4943(4) 0.058(2) Uani 1 1 d . . . . .
F52 F 0.4701(10) 0.4522(4) -0.3723(4) 0.075(3) Uani 1 1 d . . . . .
F60 F 0.1410(11) 0.4093(3) -0.2249(4) 0.079(3) Uani 1 1 d . . . . .
F53 F 0.5505(10) 0.5043(3) -0.3154(4) 0.075(3) Uani 1 1 d . . . . .
O13 O 0.6949(8) 0.5174(3) 0.5781(4) 0.056(2) Uani 1 1 d . . . . .
O9 O 1.2666(8) 0.7771(3) -0.0324(5) 0.059(3) Uani 1 1 d . . . . .
F62 F 0.0928(11) 0.4930(4) -0.2417(5) 0.088(3) Uani 1 1 d . . . . .
O7 O 1.2778(9) 0.6895(4) 0.3614(5) 0.070(3) Uani 1 1 d . . . . .
O12 O 0.8708(9) 0.5890(3) 0.0142(5) 0.060(3) Uani 1 1 d . . . . .
O24 O 0.5027(8) 0.5309(3) -0.1801(5) 0.053(2) Uani 1 1 d . . . . .
F48A F 0.5272(16) 0.3575(6) -0.2408(10) 0.068(4) Uani 0.68 1 d D U P E 1
F70 F 0.2735(8) 0.5840(3) -0.1773(5) 0.072(3) Uani 1 1 d . . . . .
F57 F 0.2287(11) 0.4386(4) -0.0422(4) 0.088(3) Uani 1 1 d . . . . .
C36 C 0.7743(10) 0.6939(4) -0.0690(5) 0.038(2) Uani 1 1 d . . . . .
O6 O 0.6569(11) 0.6723(4) 0.2174(7) 0.081(4) Uani 1 1 d . . . . .
O3A O 1.3702(15) 0.6272(6) 0.2141(10) 0.067(4) Uani 0.76 1 d D U P B 1
O16 O 1.2474(10) 0.4977(3) 0.4099(5) 0.062(3) Uani 1 1 d . . . . .
F49 F 0.7429(10) 0.3999(4) -0.2447(6) 0.098(4) Uani 1 1 d . . . . .
O14 O 0.7564(11) 0.6533(4) 0.5056(6) 0.081(4) Uani 1 1 d . . . . .
F58 F 0.0792(11) 0.3924(3) -0.1338(5) 0.082(3) Uani 1 1 d . . . . .
C29 C 1.1623(11) 0.7737(4) -0.0163(6) 0.041(3) Uani 1 1 d . . . . .
O4 O 1.1728(11) 0.5682(3) 0.0530(5) 0.063(3) Uani 1 1 d . . . . .
F69 F 0.4561(10) 0.6336(3) -0.1045(5) 0.082(3) Uani 1 1 d . . . . .
O5 O 0.8083(10) 0.8070(3) 0.2094(5) 0.066(3) Uani 1 1 d . . . . .
F59 F 0.2723(10) 0.3926(3) -0.1465(5) 0.075(3) Uani 1 1 d . . . . .
F51 F 0.7220(9) 0.4314(4) -0.3349(5) 0.088(3) Uani 1 1 d . . . . .
F68 F 0.4228(11) 0.5672(4) -0.0753(5) 0.094(4) Uani 1 1 d . . . . .
F64 F 0.7162(8) 0.5741(4) -0.1936(5) 0.088(3) Uani 1 1 d . . . . .
C37 C 0.9003(11) 0.6219(4) -0.0064(6) 0.043(3) Uani 1 1 d . . . . .
C30 C 1.0409(11) 0.7954(4) 0.0895(6) 0.041(3) Uani 1 1 d . . . . .
C53 C 0.9430(12) 0.4480(4) 0.5452(6) 0.041(3) Uani 1 1 d . . . . .
H53 H 0.857910 0.449501 0.528886 0.050 Uiso 1 1 calc R U . . .
C46 C 0.9674(14) 0.6432(4) 0.6445(7) 0.053(3) Uani 1 1 d . . . . .
H46 H 0.962775 0.672834 0.628837 0.064 Uiso 1 1 calc R U . . .
O2A O 1.0029(14) 0.4543(5) 0.3113(10) 0.072(5) Uani 0.76 1 d D U P B 1
F46 F 0.5425(11) 0.3687(3) -0.3369(4) 0.079(3) Uani 1 1 d D U . . .
F71 F 0.3529(9) 0.5713(4) -0.2669(5) 0.081(3) Uani 1 1 d . . . . .
C45 C 0.8614(12) 0.6177(4) 0.6668(6) 0.047(3) Uani 1 1 d . . . . .
H45 H 0.775821 0.627364 0.668789 0.056 Uiso 1 1 calc R U . . .
O23 O 0.2890(7) 0.4798(3) -0.1624(4) 0.046(2) Uani 1 1 d . . . . .
F54 F 0.3662(8) 0.4776(3) -0.2979(4) 0.068(2) Uani 1 1 d . . . . .
F50 F 0.7395(9) 0.4709(4) -0.2516(6) 0.095(4) Uani 1 1 d . . . . .
C43 C 0.7804(11) 0.5400(5) 0.5751(5) 0.045(3) Uani 1 1 d . . . . .
C76 C 0.1757(9) 0.4644(3) -0.1464(5) 0.030(2) Uani 1 1 d . . . . .
F72 F 0.3687(11) 0.6354(3) -0.2238(6) 0.090(3) Uani 1 1 d . . . . .
F65 F 0.6304(12) 0.6386(4) -0.1983(6) 0.099(4) Uani 1 1 d . . . . .
F56 F 0.2121(11) 0.5092(4) -0.0564(5) 0.092(3) Uani 1 1 d . . . . .
F55 F 0.0475(10) 0.4672(5) -0.0581(5) 0.106(4) Uani 1 1 d . . . . .
O15 O 1.3311(9) 0.5473(3) 0.6025(5) 0.056(2) Uani 1 1 d . . . . .
C8A C 1.310(2) 0.5956(6) 0.2056(15) 0.048(4) Uani 0.76 1 d D U P B 1
C50 C 1.2442(11) 0.5336(4) 0.5746(6) 0.040(3) Uani 1 1 d . . . . .
F66 F 0.5933(9) 0.5920(4) -0.2729(4) 0.078(3) Uani 1 1 d . . . . .
C55 C 1.1180(11) 0.4536(3) 0.6110(6) 0.040(3) Uani 1 1 d . . . . .
H55 H 1.171586 0.459984 0.646511 0.048 Uiso 1 1 calc R U . . .
F61 F -0.0423(8) 0.4677(4) -0.1757(5) 0.084(3) Uani 1 1 d . . . . .
F67 F 0.6145(10) 0.5920(4) -0.0853(5) 0.086(3) Uani 1 1 d . . . . .
C44 C 0.8199(14) 0.6272(5) 0.5303(7) 0.053(3) Uani 1 1 d . . . . .
C1 C 1.0478(12) 0.4318(4) 0.5137(6) 0.043(3) Uani 1 1 d . . . . .
H1 H 1.045757 0.421006 0.471998 0.052 Uiso 1 1 calc R U . . .
C15 C 0.7029(12) 0.6967(5) 0.2526(8) 0.054(3) Uani 1 1 d . . . . .
C9 C 1.1815(13) 0.5587(4) 0.1023(6) 0.046(3) Uani 1 1 d . . . . .
C2A C 0.9829(16) 0.4802(7) 0.2729(11) 0.049(5) Uani 0.76 1 d D U P B 1
C42 C 0.9669(16) 0.6802(6) -0.1569(6) 0.062(4) Uani 1 1 d . . . . .
H42 H 0.899892 0.692215 -0.182787 0.074 Uiso 1 1 calc R U . . .
C49 C 0.9110(13) 0.5759(4) 0.6848(6) 0.048(3) Uani 1 1 d . . . . .
H49 H 0.863717 0.551947 0.701276 0.057 Uiso 1 1 calc R U . . .
C22 C 1.1918(11) 0.7135(6) 0.3610(6) 0.053(3) Uani 1 1 d . . . . .
C23 C 1.0104(11) 0.7348(4) 0.4437(6) 0.044(3) Uani 1 1 d . . . . .
C5 C 1.1567(12) 0.4341(4) 0.5543(7) 0.045(3) Uani 1 1 d . . . . .
H5 H 1.239993 0.424535 0.545519 0.054 Uiso 1 1 calc R U . . .
C51 C 1.1883(12) 0.5018(4) 0.4557(6) 0.043(3) Uani 1 1 d . . . . .
C24 C 0.9977(18) 0.8334(4) 0.3425(8) 0.065(4) Uani 1 1 d . . . . .
H24 H 0.914609 0.845107 0.335225 0.078 Uiso 1 1 calc R U . . .
C77 C 0.1621(14) 0.4713(5) -0.0750(7) 0.059(4) Uani 1 1 d . . . . .
C17 C 1.4012(17) 0.5073(7) 0.1720(9) 0.045(4) Uani 0.76 1 d . U P B 1
H17 H 1.459759 0.522376 0.146968 0.054 Uiso 0.76 1 calc R U P B 1
C54 C 0.9861(10) 0.4618(3) 0.6052(6) 0.037(2) Uani 1 1 d . . . . .
H54 H 0.935373 0.474354 0.636250 0.044 Uiso 1 1 calc R U . . .
C80 C 0.4958(11) 0.5761(4) -0.1774(6) 0.046(3) Uani 1 1 d . . . . .
F47A F 0.3648(12) 0.3866(5) -0.2943(8) 0.068(4) Uani 0.68 1 d D U P E 1
C61 C 1.3058(17) 0.4782(6) 0.1513(8) 0.043(4) Uani 0.76 1 d . U P B 1
H61 H 1.287108 0.470523 0.108973 0.051 Uiso 0.76 1 calc R U P B 1
C38 C 0.9790(15) 0.6352(5) -0.1354(7) 0.060(4) Uani 1 1 d . . . . .
H38 H 0.921001 0.611612 -0.145106 0.072 Uiso 1 1 calc R U . . .
C47 C 1.0761(14) 0.6175(4) 0.6496(6) 0.049(3) Uani 1 1 d . . . . .
H47 H 1.158669 0.626342 0.638556 0.058 Uiso 1 1 calc R U . . .
C35 C 0.8541(12) 0.7957(4) -0.0835(6) 0.043(3) Uani 1 1 d . . . . .
H35 H 0.837658 0.776007 -0.117652 0.052 Uiso 1 1 calc R U . . .
C32 C 0.9494(13) 0.8482(4) -0.0182(7) 0.054(4) Uani 1 1 d . . . . .
H32 H 1.008574 0.869295 -0.001203 0.064 Uiso 1 1 calc R U . . .
C78 C 0.1619(16) 0.4137(5) -0.1629(7) 0.058(4) Uani 1 1 d . . . . .
C25 C 1.0801(17) 0.8196(5) 0.2984(8) 0.066(4) Uani 1 1 d . . . . .
H25 H 1.061564 0.819001 0.254744 0.079 Uiso 1 1 calc R U . . .
C79 C 0.0717(17) 0.4906(6) -0.1809(9) 0.071(4) Uani 1 1 d . . . . .
C26 C 1.1983(18) 0.8064(6) 0.3284(9) 0.076(5) Uani 1 1 d . . . . .
H26 H 1.271743 0.796097 0.308531 0.091 Uiso 1 1 calc R U . . .
C81 C 0.6101(17) 0.5959(7) -0.2102(8) 0.078(5) Uani 1 1 d . . . . .
C40 C 1.1504(13) 0.6749(5) -0.0963(6) 0.053(3) Uani 1 1 d . . . . .
H40 H 1.227829 0.682922 -0.074888 0.063 Uiso 1 1 calc R U . . .
C20 C 1.2413(17) 0.4618(6) 0.2022(8) 0.045(4) Uani 0.76 1 d . U P B 1
H20 H 1.174330 0.440522 0.201079 0.054 Uiso 0.76 1 calc R U P B 1
C83 C 0.3706(13) 0.5922(5) -0.2116(7) 0.058(3) Uani 1 1 d . . . . .
C74 C 0.6895(14) 0.4331(7) -0.2758(8) 0.066(4) Uani 1 1 d . . . . .
C34 C 0.7823(12) 0.8002(4) -0.0316(6) 0.044(3) Uani 1 1 d . . . . .
H34 H 0.707029 0.783992 -0.023758 0.053 Uiso 1 1 calc R U . . .
C41 C 1.0733(13) 0.7032(5) -0.1324(6) 0.049(3) Uani 1 1 d . . . . .
H41 H 1.090359 0.733883 -0.139479 0.059 Uiso 1 1 calc R U . . .
C1A C 0.986(2) 0.4887(8) 0.1354(12) 0.069(5) Uani 0.76 1 d . U P B 1
C72 C 0.5449(10) 0.4320(4) -0.2681(5) 0.036(2) Uani 1 1 d . . . . .
C85A C 0.473(3) 0.6633(6) 0.0817(11) 0.082(6) Uani 0.75 1 d D U P C 1
H85A H 0.532195 0.676825 0.113486 0.098 Uiso 0.75 1 calc R U P C 1
H85B H 0.389066 0.660877 0.100180 0.098 Uiso 0.75 1 calc R U P C 1
C48 C 1.0422(12) 0.5753(4) 0.6745(5) 0.041(3) Uani 1 1 d . . . . .
H48 H 1.098181 0.550902 0.682742 0.050 Uiso 1 1 calc R U . . .
C75 C 0.4807(13) 0.4671(5) -0.3149(6) 0.054(3) Uani 1 1 d . . . . .
C27 C 1.185(2) 0.8114(6) 0.3923(9) 0.079(6) Uani 1 1 d . . . . .
H27 H 1.248271 0.805543 0.423909 0.095 Uiso 1 1 calc R U . . .
C28 C 1.0628(18) 0.8265(5) 0.4017(7) 0.065(4) Uani 1 1 d . . . . .
H28 H 1.027838 0.831405 0.441223 0.078 Uiso 1 1 calc R U . . .
C19A C 0.742(3) 0.7797(10) 0.4124(13) 0.060(4) Uani 0.52 1 d D U P A 1
H19A H 0.806103 0.793878 0.437587 0.072 Uiso 0.52 1 calc R U P A 1
C39 C 1.0925(13) 0.6313(5) -0.0969(7) 0.059(4) Uani 1 1 d . . . . .
H39 H 1.123384 0.605242 -0.075932 0.071 Uiso 1 1 calc R U . . .
C20A C 0.691(3) 0.7355(11) 0.4191(14) 0.061(5) Uani 0.52 1 d D U P A 1
H20A H 0.718432 0.714416 0.450019 0.073 Uiso 0.52 1 calc R U P A 1
C33 C 0.8398(14) 0.8331(4) 0.0085(7) 0.053(3) Uani 1 1 d . . . . .
H33 H 0.808247 0.843113 0.046897 0.063 Uiso 1 1 calc R U . . .
C62 C 1.2954(17) 0.4830(7) 0.2552(10) 0.049(4) Uani 0.76 1 d . U P B 1
H62 H 1.269133 0.479619 0.296680 0.058 Uiso 0.76 1 calc R U P B 1
C82 C 0.4952(14) 0.5925(6) -0.1092(9) 0.068(4) Uani 1 1 d . . . . .
C31 C 0.9550(15) 0.8253(4) -0.0764(7) 0.060(4) Uani 1 1 d . . . . .
H31 H 1.018463 0.829756 -0.105949 0.072 Uiso 1 1 calc R U . . .
C84 C 1.3916(16) 0.7762(7) 0.1371(9) 0.082(5) Uani 1 1 d . . . . .
H84A H 1.359064 0.764175 0.096507 0.098 Uiso 1 1 calc R U . . .
H84B H 1.358036 0.806922 0.141020 0.098 Uiso 1 1 calc R U . . .
C5A C 0.7522(16) 0.5718(6) 0.1764(9) 0.061(5) Uani 0.76 1 d D . P B 1
H5A H 0.761987 0.599531 0.155564 0.073 Uiso 0.76 1 calc R U P B 1
C7 C 1.3943(19) 0.5100(7) 0.2363(10) 0.057(4) Uani 0.76 1 d . U P B 1
H7 H 1.448380 0.527408 0.263114 0.068 Uiso 0.76 1 calc R U P B 1
C4A C 0.7404(18) 0.5302(6) 0.1477(11) 0.067(6) Uani 0.76 1 d D . P B 1
H4A H 0.742683 0.525172 0.104096 0.080 Uiso 0.76 1 calc R U P B 1
C17A C 0.571(4) 0.7691(11) 0.3401(16) 0.064(4) Uani 0.52 1 d D U P A 1
H17A H 0.501416 0.776140 0.311973 0.076 Uiso 0.52 1 calc R U P A 1
C6A C 0.747(2) 0.5660(7) 0.2421(11) 0.072(7) Uani 0.76 1 d D . P B 1
H6A H 0.751105 0.588536 0.273318 0.086 Uiso 0.76 1 calc R U P B 1
C73 C 0.4932(15) 0.3864(5) -0.2853(7) 0.072(4) Uani 1 1 d D U . . .
C18A C 0.673(3) 0.7976(12) 0.3595(14) 0.063(5) Uani 0.52 1 d D U P A 1
H18A H 0.682382 0.829147 0.344935 0.076 Uiso 0.52 1 calc R U P A 1
C3A C 0.7244(19) 0.4962(6) 0.1932(11) 0.076(7) Uani 0.76 1 d D . P B 1
H3A H 0.709781 0.465205 0.186864 0.091 Uiso 0.76 1 calc R U P B 1
O1A O 1.0093(17) 0.4659(5) 0.0972(8) 0.076(4) Uani 0.76 1 d . U P B 1
C7A C 0.7357(19) 0.5203(7) 0.2505(12) 0.086(8) Uani 0.76 1 d D . P B 1
H7A H 0.735356 0.506444 0.290299 0.103 Uiso 0.76 1 calc R U P B 1
C21A C 0.594(2) 0.7283(11) 0.3716(13) 0.061(4) Uani 0.52 1 d D U P A 1
H21A H 0.538626 0.701071 0.367684 0.073 Uiso 0.52 1 calc R U P A 1
C86A C 1.447(3) 0.6014(11) 0.4173(11) 0.104(9) Uani 0.8 1 d D U P D 1
H86A H 1.436436 0.632337 0.432560 0.125 Uiso 0.8 1 calc R U P D 1
H86B H 1.363070 0.590667 0.401036 0.125 Uiso 0.8 1 calc R U P D 1
Mo1B Mo 0.9662(8) 0.51043(19) 0.2076(4) 0.0582(17) Uani 0.24 1 d D U P B 2
Mo2B Mo 1.2317(14) 0.5484(5) 0.2004(8) 0.051(3) Uani 0.24 1 d D U P B 2
C71A C 0.628(3) 0.3986(11) -0.0622(14) 0.105(5) Uani 0.55 1 d D U P F 1
F43A F 0.524(3) 0.3743(11) -0.0635(13) 0.133(7) Uani 0.55 1 d D U P F 1
F44A F 0.700(3) 0.3811(9) -0.0202(12) 0.140(9) Uani 0.55 1 d D U P F 1
F45A F 0.677(2) 0.3900(8) -0.1110(10) 0.110(7) Uani 0.55 1 d D U P F 1
C70A C 0.717(3) 0.4728(11) -0.0454(14) 0.086(5) Uani 0.55 1 d D U P F 1
F41A F 0.698(2) 0.5118(10) -0.0206(10) 0.108(8) Uani 0.55 1 d D U P F 1
F42A F 0.738(3) 0.4727(10) -0.1101(11) 0.092(6) Uani 0.55 1 d D U P F 1
F40A F 0.798(3) 0.4366(10) -0.0270(14) 0.109(7) Uani 0.55 1 d D U P F 1
C69A C 0.543(3) 0.4472(11) 0.0234(13) 0.081(5) Uani 0.55 1 d D U P F 1
F39A F 0.500(3) 0.4881(10) 0.0324(13) 0.098(6) Uani 0.55 1 d D U P F 1
F37A F 0.646(3) 0.4343(13) 0.0580(14) 0.098(8) Uani 0.55 1 d D U P F 1
F38A F 0.448(2) 0.4207(10) 0.0303(10) 0.096(7) Uani 0.55 1 d D U P F 1
C52 C 1.2061(9) 0.3093(3) 0.3398(5) 0.031(2) Uani 1 1 d . . . . .
C53A C 1.142(2) 0.3535(10) 0.3337(15) 0.054(5) Uani 0.5 1 d . U P G 1
F2A F 1.163(3) 0.3825(11) 0.3759(15) 0.080(8) Uani 0.5 1 d . U P G 1
F3A F 1.012(2) 0.3511(7) 0.3319(12) 0.063(6) Uani 0.5 1 d . U P G 1
C55A C 1.144(3) 0.2725(10) 0.294(2) 0.068(6) Uani 0.5 1 d . U P G 1
F8A F 1.118(3) 0.2896(7) 0.2423(13) 0.060(6) Uani 0.5 1 d . U P G 1
F9A F 1.030(3) 0.2638(9) 0.3170(15) 0.082(7) Uani 0.5 1 d . U P G 1
C54A C 1.199(2) 0.2931(11) 0.4085(13) 0.052(5) Uani 0.5 1 d . U P G 1
F5A F 1.235(2) 0.2518(9) 0.4146(11) 0.056(6) Uani 0.5 1 d . U P G 1
F6A F 1.092(3) 0.2990(9) 0.4316(16) 0.064(6) Uani 0.5 1 d . U P G 1
F4 F 1.2836(10) 0.3182(4) 0.4460(4) 0.084(3) Uani 1 1 d . U . . .
O17 O 1.3281(6) 0.3153(3) 0.3244(4) 0.0329(15) Uani 1 1 d . . . . .
C53B C 1.119(3) 0.3324(11) 0.2936(17) 0.058(5) Uani 0.5 1 d . U P G 2
F1 F 1.1620(9) 0.3724(3) 0.2775(5) 0.073(3) Uani 1 1 d . U . . .
F2B F 0.998(2) 0.3352(9) 0.3095(11) 0.061(5) Uani 0.5 1 d . U P G 2
F3B F 1.109(3) 0.3125(9) 0.2385(14) 0.070(6) Uani 0.5 1 d . U P G 2
C55B C 1.175(3) 0.2604(10) 0.338(2) 0.076(6) Uani 0.5 1 d . U P G 2
F9B F 1.213(3) 0.2406(9) 0.3966(19) 0.091(10) Uani 0.5 1 d . U P G 2
F7 F 1.2238(10) 0.2384(3) 0.2936(6) 0.091(3) Uani 1 1 d . U . . .
F8B F 1.054(2) 0.2499(7) 0.3377(16) 0.077(6) Uani 0.5 1 d . U P G 2
C54B C 1.182(3) 0.3325(13) 0.4051(15) 0.063(6) Uani 0.5 1 d . U P G 2
F5B F 1.076(3) 0.3162(9) 0.4329(16) 0.061(6) Uani 0.5 1 d . U P G 2
F6B F 1.193(3) 0.3758(10) 0.4022(12) 0.067(6) Uani 0.5 1 d . U P G 2
C18B C 0.653(3) 0.7881(13) 0.3752(14) 0.062(4) Uani 0.48 1 d D U P A 2
H18B H 0.662992 0.819537 0.379638 0.075 Uiso 0.48 1 calc R U P A 2
C17B C 0.578(4) 0.7659(12) 0.3275(16) 0.061(4) Uani 0.48 1 d D U P A 2
H17B H 0.544605 0.780381 0.291041 0.073 Uiso 0.48 1 calc R U P A 2
C21B C 0.560(3) 0.7201(12) 0.3406(15) 0.064(5) Uani 0.48 1 d D U P A 2
H21B H 0.506185 0.698792 0.319976 0.077 Uiso 0.48 1 calc R U P A 2
C20B C 0.645(3) 0.7147(11) 0.3936(13) 0.061(5) Uani 0.48 1 d D U P A 2
H20B H 0.655344 0.685664 0.416202 0.073 Uiso 0.48 1 calc R U P A 2
C19B C 0.709(3) 0.7553(11) 0.4147(16) 0.064(5) Uani 0.48 1 d D U P A 2
H19B H 0.773188 0.758827 0.446946 0.076 Uiso 0.48 1 calc R U P A 2
Mo3B Mo 0.7694(15) 0.7344(5) 0.3139(8) 0.040(3) Uani 0.48 1 d . . P A 2
C16 C 0.7969(11) 0.7822(4) 0.2481(6) 0.044(3) Uani 1 1 d . . . . .
O18 O 1.5649(7) 0.3217(3) 0.2725(3) 0.0397(18) Uani 1 1 d . . . . .
C56 C 1.5676(11) 0.3230(4) 0.2097(5) 0.039(2) Uani 1 1 d . U . . .
F12A F 1.358(2) 0.3368(10) 0.1832(10) 0.077(5) Uani 0.46 1 d . U P H 1
F10A F 1.495(2) 0.3821(9) 0.1408(12) 0.084(4) Uani 0.46 1 d . U P H 1
F11A F 1.474(2) 0.3918(8) 0.2365(12) 0.084(4) Uani 0.46 1 d . U P H 1
F16B F 1.7947(15) 0.3189(8) 0.2283(9) 0.070(4) Uani 0.54 1 d . U P I 2
F17B F 1.714(2) 0.3821(7) 0.2086(10) 0.076(4) Uani 0.54 1 d . U P I 2
F18 F 1.7201(9) 0.3383(3) 0.1327(4) 0.072(2) Uani 1 1 d . U . . .
C58 C 1.5277(17) 0.2789(6) 0.1808(8) 0.068(3) Uani 1 1 d . U . . .
F14A F 1.637(2) 0.2516(6) 0.1804(10) 0.074(4) Uani 0.46 1 d . U P J 1
F15A F 1.504(2) 0.2894(8) 0.1132(10) 0.068(5) Uani 0.46 1 d . U P J 1
F13A F 1.445(3) 0.2557(8) 0.2065(12) 0.073(4) Uani 0.46 1 d . U P J 1
F10B F 1.4620(18) 0.3526(7) 0.1177(7) 0.072(4) Uani 0.54 1 d . U P H 2
F12B F 1.3752(19) 0.3653(7) 0.2037(9) 0.075(4) Uani 0.54 1 d . U P H 2
F11B F 1.535(2) 0.4002(7) 0.1847(10) 0.084(4) Uani 0.54 1 d . U P H 2
C57 C 1.4771(18) 0.3596(7) 0.1863(8) 0.075(3) Uani 1 1 d . U . . .
F16A F 1.7755(19) 0.2938(8) 0.2049(11) 0.076(4) Uani 0.46 1 d . U P I 1
C59 C 1.7037(14) 0.3354(6) 0.1937(8) 0.063(3) Uani 1 1 d . U . . .
F17A F 1.7618(18) 0.3610(9) 0.2253(10) 0.065(4) Uani 0.46 1 d . U P I 1
F15B F 1.5415(19) 0.2673(6) 0.1273(8) 0.065(4) Uani 0.54 1 d . U P J 2
F14B F 1.542(2) 0.2440(6) 0.2208(9) 0.079(4) Uani 0.54 1 d . U P J 2
F13B F 1.3880(19) 0.2762(8) 0.1863(8) 0.074(4) Uani 0.54 1 d . U P J 2
O20A O 1.5145(11) 0.2584(3) 0.3668(6) 0.027(2) Uani 0.71 1 d . U P K 1
C64 C 1.5979(11) 0.2304(4) 0.3962(6) 0.044(2) Uani 1 1 d . U . . .
C67A C 1.5415(16) 0.1824(6) 0.3886(9) 0.069(3) Uani 0.71 1 d D U P K 1
F34A F 1.4437(13) 0.1795(5) 0.4276(9) 0.083(4) Uani 0.71 1 d D U P K 1
F35A F 1.6223(11) 0.1510(3) 0.4040(8) 0.069(3) Uani 0.71 1 d D U P K 1
F36A F 1.4866(13) 0.1749(4) 0.3343(8) 0.081(3) Uani 0.71 1 d D U P K 1
C66A C 1.7281(18) 0.2303(6) 0.3646(11) 0.047(4) Uani 0.71 1 d . U P K 1
F33A F 1.7218(12) 0.2120(5) 0.3098(6) 0.080(4) Uani 0.71 1 d . . P K 1
F31 F 1.8183(7) 0.2108(3) 0.4011(4) 0.065(2) Uani 1 1 d D . . . .
C65A C 1.6166(18) 0.2400(7) 0.4672(12) 0.084(4) Uani 0.71 1 d D U P K 1
F29A F 1.6977(15) 0.2732(6) 0.4758(7) 0.090(4) Uani 0.71 1 d D U P K 1
F28A F 1.5044(16) 0.2536(7) 0.4869(8) 0.091(4) Uani 0.71 1 d D U P K 1
O20B O 1.541(3) 0.2706(10) 0.3894(15) 0.034(6) Uani 0.29 1 d . U P K 2
C67B C 1.537(3) 0.1941(12) 0.3612(18) 0.060(6) Uani 0.29 1 d D U P K 2
F34B F 1.428(3) 0.1783(11) 0.381(2) 0.082(5) Uani 0.29 1 d D U P K 2
F35B F 1.602(3) 0.1575(9) 0.3569(18) 0.074(5) Uani 0.29 1 d D U P K 2
F36B F 1.499(3) 0.2016(11) 0.3023(17) 0.095(7) Uani 0.29 1 d D U P K 2
C66B C 1.748(5) 0.242(2) 0.390(3) 0.062(5) Uani 0.29 1 d . U P K 2
F33B F 1.778(3) 0.2696(8) 0.4486(12) 0.080(7) Uani 0.29 1 d D U P K 2
F32 F 1.7659(8) 0.2707(3) 0.3544(5) 0.082(3) Uani 1 1 d D U . . .
C65B C 1.580(3) 0.2312(13) 0.468(2) 0.083(4) Uani 0.29 1 d D U P K 2
F29B F 1.553(4) 0.2695(16) 0.495(2) 0.087(5) Uani 0.29 1 d D U P K 2
F30 F 1.6596(12) 0.2063(5) 0.4992(5) 0.109(3) Uani 1 1 d D U . . .
F28B F 1.476(3) 0.2115(15) 0.4831(16) 0.085(6) Uani 0.29 1 d D U P K 2
C12A C 1.289(5) 0.4715(17) 0.218(3) 0.050(7) Uani 0.24 1 d D U P B 2
H12A H 1.223790 0.449833 0.220259 0.060 Uiso 0.24 1 calc R U P B 2
C13A C 1.336(6) 0.4999(19) 0.269(2) 0.054(8) Uani 0.24 1 d D U P B 2
H13A H 1.313977 0.497495 0.311290 0.065 Uiso 0.24 1 calc R U P B 2
C14A C 1.422(5) 0.5327(18) 0.244(3) 0.061(9) Uani 0.24 1 d D U P B 2
H14A H 1.464251 0.556020 0.267068 0.074 Uiso 0.24 1 calc R U P B 2
C10A C 1.432(6) 0.523(2) 0.179(3) 0.061(9) Uani 0.24 1 d D U P B 2
H10A H 1.477347 0.540231 0.149760 0.073 Uiso 0.24 1 calc R U P B 2
C11A C 1.361(6) 0.482(2) 0.164(2) 0.055(8) Uani 0.24 1 d D U P B 2
H11A H 1.361622 0.466070 0.125866 0.066 Uiso 0.24 1 calc R U P B 2
C8B C 1.294(8) 0.6096(17) 0.209(6) 0.052(10) Uani 0.24 1 d D U P B 2
O3B O 1.336(5) 0.6446(12) 0.219(3) 0.056(9) Uani 0.24 1 d D U P B 2
O19A O 1.5452(13) 0.3481(4) 0.3966(7) 0.028(3) Uani 0.7 1 d . U P K 1
C60 C 1.5898(10) 0.3911(4) 0.4132(5) 0.037(2) Uani 1 1 d . U . . .
C62A C 1.7406(18) 0.3900(7) 0.4089(10) 0.048(4) Uani 0.7 1 d . U P K 1
F22A F 1.7906(12) 0.3678(5) 0.4581(7) 0.079(4) Uani 0.7 1 d . . P K 1
F23 F 1.7852(8) 0.4305(4) 0.4140(5) 0.077(3) Uani 1 1 d . . . . .
F24 F 1.7727(8) 0.3684(3) 0.3615(5) 0.069(2) Uani 1 1 d . . . . .
C61A C 1.538(2) 0.4264(6) 0.3661(10) 0.051(4) Uani 0.7 1 d . U P K 1
F19A F 1.4135(10) 0.4177(3) 0.3508(7) 0.061(3) Uani 0.7 1 d . . P K 1
F20A F 1.6043(17) 0.4259(4) 0.3131(7) 0.077(4) Uani 0.7 1 d . . P K 1
F21A F 1.5410(13) 0.4671(3) 0.3884(7) 0.060(3) Uani 0.7 1 d . . P K 1
C63A C 1.5541(14) 0.4010(5) 0.4788(8) 0.048(4) Uani 0.7 1 d D U P K 1
F25A F 1.4328(13) 0.4116(6) 0.4800(8) 0.076(5) Uani 0.7 1 d D . P K 1
F26A F 1.6156(11) 0.4355(4) 0.5031(5) 0.056(3) Uani 0.7 1 d D . P K 1
F27A F 1.559(2) 0.3679(5) 0.5158(7) 0.100(7) Uani 0.7 1 d D . P K 1
O19B O 1.516(3) 0.3633(10) 0.3847(17) 0.030(6) Uani 0.3 1 d . U P K 2
C62B C 1.704(4) 0.4024(14) 0.380(2) 0.041(5) Uani 0.3 1 d . U P K 2
F22B F 1.693(3) 0.4234(14) 0.3295(16) 0.079(9) Uani 0.3 1 d . U P K 2
C61B C 1.539(5) 0.4415(19) 0.420(3) 0.060(5) Uani 0.3 1 d . U P K 2
F19B F 1.404(4) 0.4308(18) 0.456(3) 0.103(12) Uani 0.3 1 d . U P K 2
F20B F 1.459(4) 0.4500(15) 0.370(2) 0.097(10) Uani 0.3 1 d . U P K 2
F21B F 1.609(4) 0.4706(12) 0.434(2) 0.091(9) Uani 0.3 1 d . U P K 2
C63B C 1.618(3) 0.3765(11) 0.4799(18) 0.062(4) Uani 0.3 1 d D U P K 2
F25B F 1.644(2) 0.4052(11) 0.5219(12) 0.062(6) Uani 0.3 1 d D U P K 2
F26B F 1.718(3) 0.3518(11) 0.4802(16) 0.087(7) Uani 0.3 1 d D U P K 2
F27B F 1.537(3) 0.3501(12) 0.5038(17) 0.069(7) Uani 0.3 1 d D U P K 2
C3B C 0.777(4) 0.4877(19) 0.151(3) 0.076(8) Uani 0.24 1 d D U P B 2
H3B H 0.695129 0.500547 0.154859 0.091 Uiso 0.24 1 calc R U P B 2
C7B C 0.872(6) 0.5030(16) 0.110(3) 0.072(6) Uani 0.24 1 d D U P B 2
H7B H 0.864252 0.527193 0.081977 0.087 Uiso 0.24 1 calc R U P B 2
C6B C 0.982(5) 0.475(2) 0.120(4) 0.071(6) Uani 0.24 1 d D U P B 2
H6B H 1.060760 0.478531 0.101221 0.085 Uiso 0.24 1 calc R U P B 2
C5B C 0.950(5) 0.4418(16) 0.164(3) 0.071(6) Uani 0.24 1 d D U P B 2
H5B H 1.003842 0.417799 0.177797 0.085 Uiso 0.24 1 calc R U P B 2
C4B C 0.826(5) 0.4501(17) 0.185(3) 0.076(8) Uani 0.24 1 d D U P B 2
H4B H 0.783064 0.433591 0.215229 0.091 Uiso 0.24 1 calc R U P B 2
C2B C 1.024(8) 0.479(3) 0.287(3) 0.060(10) Uani 0.24 1 d D U P B 2
O2B O 1.056(5) 0.4610(16) 0.332(2) 0.063(9) Uani 0.24 1 d D U P B 2
C1B C 0.813(5) 0.542(2) 0.262(3) 0.047(12) Uani 0.24 1 d . . P B 2
O1B O 0.724(4) 0.5547(11) 0.286(3) 0.073(17) Uani 0.24 1 d . . P B 2
O21 O 0.5016(8) 0.4628(3) -0.0853(4) 0.052(2) Uani 1 1 d . . . . .
C68 C 0.5847(17) 0.4451(6) -0.0452(7) 0.076(3) Uani 1 1 d D U . . .
C71B C 0.532(4) 0.3945(13) -0.0317(17) 0.107(6) Uani 0.45 1 d D U P F 2
F45B F 0.431(3) 0.3972(12) 0.0041(15) 0.130(11) Uani 0.45 1 d D U P F 2
F43B F 0.621(3) 0.3692(12) -0.0025(15) 0.127(8) Uani 0.45 1 d D U P F 2
F44B F 0.500(3) 0.3774(11) -0.0872(12) 0.114(7) Uani 0.45 1 d D U P F 2
C70B C 0.726(3) 0.4546(13) -0.0661(16) 0.093(5) Uani 0.45 1 d D U P F 2
F41B F 0.735(3) 0.4979(11) -0.0959(15) 0.091(7) Uani 0.45 1 d D U P F 2
F42B F 0.743(2) 0.4216(11) -0.1124(13) 0.093(7) Uani 0.45 1 d D U P F 2
F40B F 0.804(3) 0.4628(13) -0.0133(14) 0.097(7) Uani 0.45 1 d D U P F 2
C69B C 0.563(4) 0.4697(14) 0.0180(16) 0.090(5) Uani 0.45 1 d D U P F 2
F39B F 0.630(3) 0.5088(12) 0.0096(15) 0.117(8) Uani 0.45 1 d D U P F 2
F37B F 0.614(4) 0.4483(13) 0.0667(15) 0.083(7) Uani 0.45 1 d D U P F 2
F38B F 0.444(3) 0.4794(14) 0.0244(18) 0.096(7) Uani 0.45 1 d D U P F 2
F48B F 0.466(4) 0.3578(18) -0.241(3) 0.084(9) Uani 0.32 1 d . U P E 2
F47B F 0.371(4) 0.4076(14) -0.324(2) 0.097(9) Uani 0.32 1 d . U P E 2
Cl6B Cl 1.502(4) 0.6046(12) 0.476(2) 0.143(13) Uani 0.2 1 d D U P L 2
Cl5B Cl 1.392(3) 0.5883(18) 0.3674(15) 0.143(14) Uani 0.2 1 d D U P L 2
C86B C 1.531(7) 0.572(3) 0.411(3) 0.11(2) Uani 0.2 1 d D U P L 2
H86C H 1.532349 0.539505 0.420034 0.127 Uiso 0.2 1 calc R U P L 2
H86D H 1.609496 0.580702 0.390239 0.127 Uiso 0.2 1 calc R U P L 2
Cl4B Cl 0.644(3) 0.6059(12) 0.1284(19) 0.151(10) Uani 0.25 1 d D U P M 2
Cl3B Cl 0.405(4) 0.6264(14) 0.0571(13) 0.143(10) Uani 0.25 1 d D U P M 2
C85B C 0.554(6) 0.643(2) 0.083(5) 0.113(13) Uani 0.25 1 d D U P M 2
H85C H 0.545299 0.670832 0.107391 0.136 Uiso 0.25 1 calc R U P M 2
H85D H 0.603433 0.650539 0.046171 0.136 Uiso 0.25 1 calc R U P M 2


_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
Sb1 Sb2 2.7611(9) . ?
Sb1 Ag1 2.7703(10) . ?
Sb1 Mo6 2.7201(11) . ?
Sb1 Mo5 2.8391(10) . ?
Sb3 Sb4 2.7696(9) . ?
Sb3 Ag2 2.7937(10) . ?
Sb3 Mo8 2.8383(10) . ?
Sb3 Mo7 2.7311(11) . ?
Sb2 Ag1 2.8427(10) . ?
Sb2 Mo6 2.8307(11) . ?
Sb2 Mo5 2.7382(11) . ?
Sb4 Ag2 2.8286(10) . ?
Sb4 Mo8 2.7459(10) . ?
Sb4 Mo7 2.8335(11) . ?
Ag1 P3 2.484(3) . ?
Ag1 P1 2.496(3) . ?
Ag2 P4 2.499(3) . ?
Ag2 P2 2.493(3) . ?
Mo8 Mo7 3.1178(11) . ?
Mo8 C53 2.365(11) . ?
Mo8 C50 1.994(11) . ?
Mo8 C55 2.315(10) . ?
Mo8 C1 2.288(11) . ?
Mo8 C5 2.287(10) . ?
Mo8 C51 1.950(12) . ?
Mo8 C54 2.375(11) . ?
Mo6 Mo5 3.1245(12) . ?
Mo6 C36 1.997(11) . ?
Mo6 C37 1.997(12) . ?
Mo6 C42 2.346(13) . ?
Mo6 C38 2.292(12) . ?
Mo6 C40 2.345(13) . ?
Mo6 C41 2.364(11) . ?
Mo6 C39 2.296(11) . ?
Mo7 C46 2.314(13) . ?
Mo7 C45 2.287(12) . ?
Mo7 C43 2.009(13) . ?
Mo7 C44 1.976(14) . ?
Mo7 C49 2.312(12) . ?
Mo7 C47 2.387(13) . ?
Mo7 C48 2.374(12) . ?
Mo5 C29 1.976(12) . ?
Mo5 C30 1.983(13) . ?
Mo5 C35 2.376(11) . ?
Mo5 C32 2.280(11) . ?
Mo5 C34 2.347(11) . ?
Mo5 C33 2.306(12) . ?
Mo5 C31 2.329(12) . ?
Mo4 Mo3A 2.985(15) . ?
Mo4 P3 2.450(3) . ?
Mo4 P4 2.525(3) . ?
Mo4 C22 1.980(14) . ?
Mo4 C23 1.990(13) . ?
Mo4 C24 2.403(13) . ?
Mo4 C25 2.339(14) . ?
Mo4 C26 2.311(15) . ?
Mo4 C27 2.308(15) . ?
Mo4 C28 2.316(14) . ?
Mo4 Mo3B 3.106(17) . ?
Mo3A P3 2.538(14) . ?
Mo3A P4 2.457(11) . ?
Mo3A C15 2.05(2) . ?
Mo3A C19A 2.37(3) . ?
Mo3A C20A 2.37(3) . ?
Mo3A C17A 2.39(4) . ?
Mo3A C18A 2.23(4) . ?
Mo3A C21A 2.30(3) . ?
Mo3A C16 1.994(18) . ?
Mo2A Mo1A 3.072(4) . ?
Mo2A P1 2.481(5) . ?
Mo2A P2 2.483(6) . ?
Mo2A C8A 1.97(2) . ?
Mo2A C9 2.007(14) . ?
Mo2A C17 2.286(17) . ?
Mo2A C61 2.297(15) . ?
Mo2A C20 2.383(19) . ?
Mo2A C62 2.343(17) . ?
Mo2A C7 2.303(19) . ?
Mo1A P1 2.380(4) . ?
Mo1A P2 2.500(3) . ?
Mo1A C2A 2.01(2) . ?
Mo1A C1A 2.01(2) . ?
Mo1A C5A 2.386(16) . ?
Mo1A C4A 2.31(2) . ?
Mo1A C6A 2.398(19) . ?
Mo1A C3A 2.31(2) . ?
Mo1A C7A 2.25(2) . ?
P3 P4 2.097(4) . ?
P3 Mo3B 2.501(16) . ?
P4 Mo3B 2.411(14) . ?
P1 P2 2.091(4) . ?
P1 Mo1B 2.626(7) . ?
P1 Mo2B 2.509(17) . ?
P2 Mo1B 2.527(7) . ?
P2 Mo2B 2.414(18) . ?
Al1 O17 1.718(7) . ?
Al1 O18 1.713(7) . ?
Al1 O20A 1.742(11) . ?
Al1 O20B 1.72(3) . ?
Al1 O19A 1.693(14) . ?
Al1 O19B 1.80(3) . ?
Al2 O22 1.717(8) . ?
Al2 O24 1.727(9) . ?
Al2 O23 1.704(8) . ?
Al2 O21 1.710(9) . ?
Cl2 C84 1.73(2) . ?
Cl4A C85A 1.720(18) . ?
Cl1 C84 1.699(18) . ?
Cl6A C86A 1.747(19) . ?
Cl5A C86A 1.771(19) . ?
O10 C30 1.155(15) . ?
O11 C36 1.157(13) . ?
Cl3A C85A 1.716(19) . ?
F63 C79 1.27(2) . ?
O22 C72 1.327(13) . ?
O8 C23 1.162(15) . ?
F52 C75 1.309(16) . ?
F60 C78 1.347(16) . ?
F53 C75 1.334(18) . ?
O13 C43 1.132(15) . ?
O9 C29 1.171(14) . ?
F62 C79 1.33(2) . ?
O7 C22 1.156(16) . ?
O12 C37 1.130(14) . ?
O24 C80 1.356(16) . ?
F48A C73 1.329(18) . ?
F70 C83 1.309(17) . ?
F57 C77 1.38(2) . ?
O6 C15 1.144(18) . ?
O3A C8A 1.15(2) . ?
O16 C51 1.191(15) . ?
F49 C74 1.310(19) . ?
O14 C44 1.144(16) . ?
F58 C78 1.265(17) . ?
O4 C9 1.097(15) . ?
F69 C82 1.302(19) . ?
O5 C16 1.124(15) . ?
F59 C78 1.357(19) . ?
F51 C74 1.331(18) . ?
F68 C82 1.317(19) . ?
F64 C81 1.33(2) . ?
C53 H53 0.9500 . ?
C53 C1 1.406(18) . ?
C53 C54 1.409(17) . ?
C46 H46 0.9500 . ?
C46 C45 1.450(18) . ?
C46 C47 1.38(2) . ?
O2A C2A 1.15(2) . ?
F46 C73 1.352(15) . ?
F71 C83 1.347(18) . ?
C45 H45 0.9500 . ?
C45 C49 1.404(18) . ?
O23 C76 1.338(12) . ?
F54 C75 1.313(15) . ?
F50 C74 1.34(2) . ?
C76 C77 1.560(18) . ?
C76 C78 1.564(16) . ?
C76 C79 1.517(19) . ?
F72 C83 1.319(18) . ?
F65 C81 1.32(2) . ?
F56 C77 1.305(17) . ?
F55 C77 1.282(16) . ?
O15 C50 1.148(14) . ?
F66 C81 1.356(19) . ?
C55 H55 0.9500 . ?
C55 C5 1.423(18) . ?
C55 C54 1.412(16) . ?
F61 C79 1.39(2) . ?
F67 C82 1.338(18) . ?
C1 H1 0.9500 . ?
C1 C5 1.415(19) . ?
C15 Mo3B 1.85(2) . ?
C9 Mo2B 2.17(2) . ?
C42 H42 0.9500 . ?
C42 C38 1.43(2) . ?
C42 C41 1.40(2) . ?
C49 H49 0.9500 . ?
C49 C48 1.410(18) . ?
C5 H5 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.37(2) . ?
C24 C28 1.44(2) . ?
C17 H17 0.9500 . ?
C17 C61 1.39(3) . ?
C17 C7 1.39(3) . ?
C54 H54 0.9500 . ?
C80 C81 1.539(18) . ?
C80 C83 1.56(2) . ?
C80 C82 1.55(2) . ?
F47A C73 1.359(16) . ?
C61 H61 0.9500 . ?
C61 C20 1.40(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.43(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.422(17) . ?
C35 H35 0.9500 . ?
C35 C34 1.381(19) . ?
C35 C31 1.39(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.39(2) . ?
C32 C31 1.43(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.44(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.39(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.39(2) . ?
C40 C39 1.44(2) . ?
C20 H20 0.9500 . ?
C20 C62 1.40(3) . ?
C74 C72 1.540(17) . ?
C34 H34 0.9500 . ?
C34 C33 1.427(18) . ?
C41 H41 0.9500 . ?
C1A O1A 1.10(2) . ?
C72 C75 1.587(19) . ?
C72 C73 1.51(2) . ?
C85A H85A 0.9900 . ?
C85A H85B 0.9900 . ?
C48 H48 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.39(3) . ?
C28 H28 0.9500 . ?
C19A H19A 0.9500 . ?
C19A C20A 1.44(2) . ?
C19A C18A 1.42(2) . ?
C39 H39 0.9500 . ?
C20A H20A 0.9500 . ?
C20A C21A 1.44(2) . ?
C33 H33 0.9500 . ?
C62 H62 0.9500 . ?
C62 C7 1.39(3) . ?
C31 H31 0.9500 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C5A H5A 0.9500 . ?
C5A C4A 1.393(18) . ?
C5A C6A 1.424(19) . ?
C7 H7 0.9500 . ?
C4A H4A 0.9500 . ?
C4A C3A 1.423(19) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.43(2) . ?
C17A C21A 1.41(2) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.386(19) . ?
C73 F48B 1.33(5) . ?
C73 F47B 1.63(4) . ?
C18A H18A 1.0000 . ?
C3A H3A 0.9500 . ?
C3A C7A 1.427(19) . ?
C7A H7A 0.9500 . ?
C21A H21A 1.0000 . ?
C86A H86A 0.9900 . ?
C86A H86B 0.9900 . ?
Mo1B Mo2B 3.031(16) . ?
Mo1B C3B 2.39(6) . ?
Mo1B C7B 2.28(6) . ?
Mo1B C6B 2.16(8) . ?
Mo1B C5B 2.26(5) . ?
Mo1B C4B 2.37(5) . ?
Mo1B C2B 2.01(3) . ?
Mo1B C1B 2.24(6) . ?
Mo2B C12A 2.41(6) . ?
Mo2B C13A 2.31(6) . ?
Mo2B C14A 2.23(6) . ?
Mo2B C10A 2.31(7) . ?
Mo2B C11A 2.55(6) . ?
Mo2B C8B 1.95(3) . ?
C71A F43A 1.31(3) . ?
C71A F44A 1.27(3) . ?
C71A F45A 1.22(3) . ?
C71A C68 1.51(3) . ?
C70A F41A 1.30(3) . ?
C70A F42A 1.42(3) . ?
C70A F40A 1.43(3) . ?
C70A C68 1.62(3) . ?
C69A F39A 1.33(3) . ?
C69A F37A 1.34(3) . ?
C69A F38A 1.29(3) . ?
C69A C68 1.55(3) . ?
C52 C53A 1.49(3) . ?
C52 C55A 1.60(4) . ?
C52 C54A 1.56(3) . ?
C52 O17 1.354(11) . ?
C52 C53B 1.49(3) . ?
C52 C55B 1.50(3) . ?
C52 C54B 1.59(3) . ?
C53A F2A 1.27(5) . ?
C53A F3A 1.37(4) . ?
C53A F1 1.36(3) . ?
C55A F8A 1.24(5) . ?
C55A F9A 1.34(4) . ?
C55A F7 1.32(3) . ?
C54A F5A 1.30(4) . ?
C54A F6A 1.26(4) . ?
C54A F4 1.40(3) . ?
F4 C54B 1.42(3) . ?
C53B F1 1.33(3) . ?
C53B F2B 1.33(3) . ?
C53B F3B 1.32(5) . ?
C55B F9B 1.43(6) . ?
C55B F7 1.28(4) . ?
C55B F8B 1.31(4) . ?
C54B F5B 1.38(4) . ?
C54B F6B 1.30(5) . ?
C18B H18B 0.9500 . ?
C18B C17B 1.43(2) . ?
C18B C19B 1.41(2) . ?
C18B Mo3B 2.44(4) . ?
C17B H17B 0.9500 . ?
C17B C21B 1.42(2) . ?
C17B Mo3B 2.26(4) . ?
C21B H21B 0.9500 . ?
C21B C20B 1.43(2) . ?
C21B Mo3B 2.34(3) . ?
C20B H20B 1.0000 . ?
C20B C19B 1.45(2) . ?
C20B Mo3B 2.28(3) . ?
C19B H19B 0.9500 . ?
C19B Mo3B 2.36(4) . ?
Mo3B C16 2.04(2) . ?
O18 C56 1.350(13) . ?
C56 C58 1.510(19) . ?
C56 C57 1.52(2) . ?
C56 C59 1.535(17) . ?
F12A C57 1.43(3) . ?
F10A C57 1.21(3) . ?
F11A C57 1.45(3) . ?
F16B C59 1.29(3) . ?
F17B C59 1.44(3) . ?
F18 C59 1.330(17) . ?
C58 F14A 1.42(3) . ?
C58 F15A 1.50(3) . ?
C58 F13A 1.26(3) . ?
C58 F15B 1.22(2) . ?
C58 F14B 1.36(3) . ?
C58 F13B 1.48(3) . ?
F10B C57 1.49(2) . ?
F12B C57 1.16(2) . ?
F11B C57 1.36(3) . ?
F16A C59 1.47(3) . ?
C59 F17A 1.18(2) . ?
O20A C64 1.353(16) . ?
C64 C67A 1.56(2) . ?
C64 C66A 1.56(2) . ?
C64 C65A 1.56(3) . ?
C64 O20B 1.35(3) . ?
C64 C67B 1.46(5) . ?
C64 C66B 1.63(6) . ?
C64 C65B 1.55(5) . ?
C67A F34A 1.357(18) . ?
C67A F35A 1.302(16) . ?
C67A F36A 1.299(17) . ?
C66A F33A 1.30(2) . ?
C66A F31 1.34(2) . ?
C66A F32 1.29(2) . ?
F31 C66B 1.20(6) . ?
C65A F29A 1.320(19) . ?
C65A F28A 1.337(18) . ?
C65A F30 1.292(18) . ?
C67B F34B 1.33(2) . ?
C67B F35B 1.30(2) . ?
C67B F36B 1.33(2) . ?
C66B F33B 1.54(7) . ?
C66B F32 1.17(7) . ?
C65B F29B 1.32(2) . ?
C65B F30 1.30(2) . ?
C65B F28B 1.30(2) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.45(2) . ?
C12A C11A 1.46(2) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.45(2) . ?
C14A H14A 0.9500 . ?
C14A C10A 1.45(2) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.45(2) . ?
C11A H11A 0.9500 . ?
C8B O3B 1.15(3) . ?
O19A C60 1.410(17) . ?
C60 C62A 1.60(2) . ?
C60 C61A 1.55(2) . ?
C60 C63A 1.50(2) . ?
C60 O19B 1.28(3) . ?
C60 C62B 1.46(4) . ?
C60 C61B 1.61(5) . ?
C60 C63B 1.51(4) . ?
C62A F22A 1.34(3) . ?
C62A F23 1.30(2) . ?
C62A F24 1.26(2) . ?
F23 C62B 1.39(4) . ?
F24 C62B 1.32(5) . ?
C61A F19A 1.36(2) . ?
C61A F20A 1.36(3) . ?
C61A F21A 1.31(2) . ?
C63A F25A 1.320(17) . ?
C63A F26A 1.315(15) . ?
C63A F27A 1.268(18) . ?
C62B F22B 1.25(6) . ?
C61B F19B 1.68(7) . ?
C61B F20B 1.36(7) . ?
C61B F21B 1.18(6) . ?
C63B F25B 1.27(2) . ?
C63B F26B 1.29(2) . ?
C63B F27B 1.28(2) . ?
C3B H3B 0.9500 . ?
C3B C7B 1.432(19) . ?
C3B C4B 1.42(2) . ?
C7B H7B 0.9500 . ?
C7B C6B 1.43(2) . ?
C6B H6B 0.9500 . ?
C6B C5B 1.42(2) . ?
C5B H5B 0.9500 . ?
C5B C4B 1.42(2) . ?
C4B H4B 0.9500 . ?
C2B O2B 1.15(3) . ?
C1B O1B 1.16(7) . ?
O21 C68 1.314(19) . ?
C68 C71B 1.64(4) . ?
C68 C70B 1.60(4) . ?
C68 C69B 1.57(4) . ?
C71B F45B 1.34(4) . ?
C71B F43B 1.34(3) . ?
C71B F44B 1.33(4) . ?
C70B F41B 1.45(4) . ?
C70B F42B 1.42(3) . ?
C70B F40B 1.39(3) . ?
C69B F39B 1.38(4) . ?
C69B F37B 1.32(4) . ?
C69B F38B 1.31(4) . ?
Cl6B C86B 1.75(3) . ?
Cl5B C86B 1.77(3) . ?
C86B H86C 0.9900 . ?
C86B H86D 0.9900 . ?
Cl4B C85B 1.73(3) . ?
Cl3B C85B 1.72(3) . ?
C85B H85C 0.9900 . ?
C85B H85D 0.9900 . ?

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
Sb2 Sb1 Ag1 61.85(3) . . ?
Sb2 Sb1 Mo5 58.52(3) . . ?
Ag1 Sb1 Mo5 108.34(3) . . ?
Mo6 Sb1 Sb2 62.18(3) . . ?
Mo6 Sb1 Ag1 112.86(3) . . ?
Mo6 Sb1 Mo5 68.36(3) . . ?
Sb4 Sb3 Ag2 61.12(3) . . ?
Sb4 Sb3 Mo8 58.62(3) . . ?
Ag2 Sb3 Mo8 108.57(3) . . ?
Mo7 Sb3 Sb4 62.01(3) . . ?
Mo7 Sb3 Ag2 111.55(3) . . ?
Mo7 Sb3 Mo8 68.06(3) . . ?
Sb1 Sb2 Ag1 59.23(2) . . ?
Sb1 Sb2 Mo6 58.20(3) . . ?
Mo6 Sb2 Ag1 107.48(3) . . ?
Mo5 Sb2 Sb1 62.16(3) . . ?
Mo5 Sb2 Ag1 109.15(3) . . ?
Mo5 Sb2 Mo6 68.24(3) . . ?
Sb3 Sb4 Ag2 59.86(3) . . ?
Sb3 Sb4 Mo7 58.33(3) . . ?
Ag2 Sb4 Mo7 107.57(3) . . ?
Mo8 Sb4 Sb3 61.94(3) . . ?
Mo8 Sb4 Ag2 110.22(3) . . ?
Mo8 Sb4 Mo7 67.93(3) . . ?
Sb1 Ag1 Sb2 58.91(2) . . ?
P3 Ag1 Sb1 132.08(7) . . ?
P3 Ag1 Sb2 114.11(7) . . ?
P3 Ag1 P1 107.85(10) . . ?
P1 Ag1 Sb1 111.56(8) . . ?
P1 Ag1 Sb2 127.01(8) . . ?
Sb3 Ag2 Sb4 59.02(2) . . ?
P4 Ag2 Sb3 114.39(7) . . ?
P4 Ag2 Sb4 127.33(7) . . ?
P2 Ag2 Sb3 127.41(7) . . ?
P2 Ag2 Sb4 111.36(7) . . ?
P2 Ag2 P4 110.15(9) . . ?
Sb3 Mo8 Mo7 54.34(2) . . ?
Sb4 Mo8 Sb3 59.44(2) . . ?
Sb4 Mo8 Mo7 57.37(3) . . ?
C53 Mo8 Sb3 141.7(3) . . ?
C53 Mo8 Sb4 84.7(3) . . ?
C53 Mo8 Mo7 96.5(3) . . ?
C53 Mo8 C54 34.6(4) . . ?
C50 Mo8 Sb3 70.2(3) . . ?
C50 Mo8 Sb4 129.3(3) . . ?
C50 Mo8 Mo7 89.3(3) . . ?
C50 Mo8 C53 140.7(4) . . ?
C50 Mo8 C55 82.9(4) . . ?
C50 Mo8 C1 129.9(5) . . ?
C50 Mo8 C5 94.2(5) . . ?
C50 Mo8 C54 108.4(4) . . ?
C55 Mo8 Sb3 147.1(3) . . ?
C55 Mo8 Sb4 139.9(3) . . ?
C55 Mo8 Mo7 108.3(3) . . ?
C55 Mo8 C53 58.3(4) . . ?
C55 Mo8 C54 35.0(4) . . ?
C1 Mo8 Sb3 153.5(3) . . ?
C1 Mo8 Sb4 99.9(3) . . ?
C1 Mo8 Mo7 131.2(3) . . ?
C1 Mo8 C53 35.1(4) . . ?
C1 Mo8 C55 59.4(4) . . ?
C1 Mo8 C54 58.5(4) . . ?
C5 Mo8 Sb3 158.7(3) . . ?
C5 Mo8 Sb4 135.9(4) . . ?
C5 Mo8 Mo7 142.7(3) . . ?
C5 Mo8 C53 59.0(4) . . ?
C5 Mo8 C55 36.0(5) . . ?
C5 Mo8 C1 36.0(5) . . ?
C5 Mo8 C54 59.0(4) . . ?
C51 Mo8 Sb3 77.4(3) . . ?
C51 Mo8 Sb4 86.0(3) . . ?
C51 Mo8 Mo7 129.0(3) . . ?
C51 Mo8 C53 115.6(5) . . ?
C51 Mo8 C50 89.0(5) . . ?
C51 Mo8 C55 122.0(4) . . ?
C51 Mo8 C1 85.2(5) . . ?
C51 Mo8 C5 88.2(5) . . ?
C51 Mo8 C54 143.1(5) . . ?
C54 Mo8 Sb3 138.7(3) . . ?
C54 Mo8 Sb4 105.3(3) . . ?
C54 Mo8 Mo7 84.7(3) . . ?
Sb1 Mo6 Sb2 59.62(3) . . ?
Sb1 Mo6 Mo5 57.63(3) . . ?
Sb2 Mo6 Mo5 54.48(3) . . ?
C36 Mo6 Sb1 130.6(3) . . ?
C36 Mo6 Sb2 72.4(3) . . ?
C36 Mo6 Mo5 86.1(3) . . ?
C36 Mo6 C37 90.6(5) . . ?
C36 Mo6 C42 81.9(5) . . ?
C36 Mo6 C38 94.9(5) . . ?
C36 Mo6 C40 139.2(5) . . ?
C36 Mo6 C41 106.3(5) . . ?
C36 Mo6 C39 131.1(5) . . ?
C37 Mo6 Sb1 89.3(3) . . ?
C37 Mo6 Sb2 76.6(4) . . ?
C37 Mo6 Mo5 129.6(4) . . ?
C37 Mo6 C42 119.9(6) . . ?
C37 Mo6 C38 86.6(6) . . ?
C37 Mo6 C40 116.2(5) . . ?
C37 Mo6 C41 141.5(5) . . ?
C37 Mo6 C39 83.9(6) . . ?
C42 Mo6 Sb1 138.1(4) . . ?
C42 Mo6 Sb2 149.9(4) . . ?
C42 Mo6 Mo5 109.4(4) . . ?
C42 Mo6 C41 34.6(5) . . ?
C38 Mo6 Sb1 134.3(4) . . ?
C38 Mo6 Sb2 158.6(4) . . ?
C38 Mo6 Mo5 143.8(4) . . ?
C38 Mo6 C42 35.9(6) . . ?
C38 Mo6 C40 59.3(5) . . ?
C38 Mo6 C41 58.2(5) . . ?
C38 Mo6 C39 36.3(5) . . ?
C40 Mo6 Sb1 82.5(3) . . ?
C40 Mo6 Sb2 140.6(3) . . ?
C40 Mo6 Mo5 97.5(4) . . ?
C40 Mo6 C42 58.5(5) . . ?
C40 Mo6 C41 34.3(5) . . ?
C41 Mo6 Sb1 103.9(3) . . ?
C41 Mo6 Sb2 141.1(3) . . ?
C41 Mo6 Mo5 86.7(3) . . ?
C39 Mo6 Sb1 98.0(4) . . ?
C39 Mo6 Sb2 149.9(4) . . ?
C39 Mo6 Mo5 133.0(4) . . ?
C39 Mo6 C42 60.2(6) . . ?
C39 Mo6 C40 36.2(5) . . ?
C39 Mo6 C41 58.8(5) . . ?
Sb3 Mo7 Sb4 59.67(3) . . ?
Sb3 Mo7 Mo8 57.61(3) . . ?
Sb4 Mo7 Mo8 54.70(3) . . ?
C46 Mo7 Sb3 99.7(3) . . ?
C46 Mo7 Sb4 152.2(4) . . ?
C46 Mo7 Mo8 132.8(4) . . ?
C46 Mo7 C47 34.1(5) . . ?
C46 Mo7 C48 57.7(5) . . ?
C45 Mo7 Sb3 136.5(3) . . ?
C45 Mo7 Sb4 158.1(3) . . ?
C45 Mo7 Mo8 142.5(3) . . ?
C45 Mo7 C46 36.7(4) . . ?
C45 Mo7 C49 35.5(5) . . ?
C45 Mo7 C47 59.1(5) . . ?
C45 Mo7 C48 58.8(5) . . ?
C43 Mo7 Sb3 129.5(3) . . ?
C43 Mo7 Sb4 70.8(3) . . ?
C43 Mo7 Mo8 86.8(4) . . ?
C43 Mo7 C46 130.3(5) . . ?
C43 Mo7 C45 93.8(5) . . ?
C43 Mo7 C49 83.5(5) . . ?
C43 Mo7 C47 141.5(5) . . ?
C43 Mo7 C48 109.1(4) . . ?
C44 Mo7 Sb3 88.4(4) . . ?
C44 Mo7 Sb4 77.2(4) . . ?
C44 Mo7 Mo8 130.0(4) . . ?
C44 Mo7 C46 84.2(6) . . ?
C44 Mo7 C45 87.5(5) . . ?
C44 Mo7 C43 90.0(6) . . ?
C44 Mo7 C49 121.4(5) . . ?
C44 Mo7 C47 113.5(6) . . ?
C44 Mo7 C48 141.4(5) . . ?
C49 Mo7 Sb3 137.7(3) . . ?
C49 Mo7 Sb4 148.8(3) . . ?
C49 Mo7 Mo8 107.9(3) . . ?
C49 Mo7 C46 59.0(5) . . ?
C49 Mo7 C47 58.4(5) . . ?
C49 Mo7 C48 35.0(4) . . ?
C47 Mo7 Sb3 83.3(3) . . ?
C47 Mo7 Sb4 141.8(3) . . ?
C47 Mo7 Mo8 98.9(3) . . ?
C48 Mo7 Sb3 102.9(3) . . ?
C48 Mo7 Sb4 140.2(3) . . ?
C48 Mo7 Mo8 85.5(3) . . ?
C48 Mo7 C47 34.8(4) . . ?
Sb1 Mo5 Mo6 54.02(3) . . ?
Sb2 Mo5 Sb1 59.31(3) . . ?
Sb2 Mo5 Mo6 57.29(3) . . ?
C29 Mo5 Sb1 69.0(3) . . ?
C29 Mo5 Sb2 128.0(3) . . ?
C29 Mo5 Mo6 88.4(4) . . ?
C29 Mo5 C30 87.3(5) . . ?
C29 Mo5 C35 109.4(5) . . ?
C29 Mo5 C32 95.7(5) . . ?
C29 Mo5 C34 141.5(5) . . ?
C29 Mo5 C33 130.6(5) . . ?
C29 Mo5 C31 85.4(5) . . ?
C30 Mo5 Sb1 78.4(3) . . ?
C30 Mo5 Sb2 88.1(4) . . ?
C30 Mo5 Mo6 130.2(3) . . ?
C30 Mo5 C35 142.6(4) . . ?
C30 Mo5 C32 86.5(5) . . ?
C30 Mo5 C34 116.7(4) . . ?
C30 Mo5 C33 85.2(5) . . ?
C30 Mo5 C31 120.5(5) . . ?
C35 Mo5 Sb1 138.5(3) . . ?
C35 Mo5 Sb2 105.1(3) . . ?
C35 Mo5 Mo6 84.8(3) . . ?
C32 Mo5 Sb1 158.8(3) . . ?
C32 Mo5 Sb2 135.6(4) . . ?
C32 Mo5 Mo6 143.3(4) . . ?
C32 Mo5 C35 59.4(5) . . ?
C32 Mo5 C34 59.1(5) . . ?
C32 Mo5 C33 35.2(5) . . ?
C32 Mo5 C31 36.1(5) . . ?
C34 Mo5 Sb1 141.5(3) . . ?
C34 Mo5 Sb2 84.8(3) . . ?
C34 Mo5 Mo6 96.3(3) . . ?
C34 Mo5 C35 34.0(4) . . ?
C33 Mo5 Sb1 154.0(4) . . ?
C33 Mo5 Sb2 100.5(4) . . ?
C33 Mo5 Mo6 131.6(4) . . ?
C33 Mo5 C35 58.3(5) . . ?
C33 Mo5 C34 35.7(4) . . ?
C33 Mo5 C31 57.9(6) . . ?
C31 Mo5 Sb1 148.1(4) . . ?
C31 Mo5 Sb2 138.9(4) . . ?
C31 Mo5 Mo6 108.6(4) . . ?
C31 Mo5 C35 34.3(5) . . ?
C31 Mo5 C34 56.9(5) . . ?
P3 Mo4 Mo3A 54.6(3) . . ?
P3 Mo4 P4 49.82(9) . . ?
P3 Mo4 Mo3B 51.9(3) . . ?
P4 Mo4 Mo3A 52.1(3) . . ?
P4 Mo4 Mo3B 49.4(3) . . ?
C22 Mo4 Mo3A 129.5(5) . . ?
C22 Mo4 P3 86.2(4) . . ?
C22 Mo4 P4 79.0(4) . . ?
C22 Mo4 C23 87.2(5) . . ?
C22 Mo4 C24 141.6(6) . . ?
C22 Mo4 C25 113.9(6) . . ?
C22 Mo4 C26 83.5(7) . . ?
C22 Mo4 C27 88.7(7) . . ?
C22 Mo4 C28 121.9(6) . . ?
C22 Mo4 Mo3B 126.4(5) . . ?
C23 Mo4 Mo3A 89.5(5) . . ?
C23 Mo4 P3 122.8(4) . . ?
C23 Mo4 P4 73.1(4) . . ?
C23 Mo4 C24 112.7(5) . . ?
C23 Mo4 C25 143.4(5) . . ?
C23 Mo4 C26 128.7(6) . . ?
C23 Mo4 C27 94.6(6) . . ?
C23 Mo4 C28 86.0(6) . . ?
C23 Mo4 Mo3B 90.1(5) . . ?
C24 Mo4 Mo3A 85.0(5) . . ?
C24 Mo4 P3 107.1(4) . . ?
C24 Mo4 P4 137.1(4) . . ?
C24 Mo4 Mo3B 87.7(5) . . ?
C25 Mo4 Mo3A 97.8(5) . . ?
C25 Mo4 P3 89.6(4) . . ?
C25 Mo4 P4 137.7(4) . . ?
C25 Mo4 C24 33.6(6) . . ?
C25 Mo4 Mo3B 99.2(5) . . ?
C26 Mo4 Mo3A 133.5(5) . . ?
C26 Mo4 P3 106.8(5) . . ?
C26 Mo4 P4 151.3(5) . . ?
C26 Mo4 C24 58.3(7) . . ?
C26 Mo4 C25 36.0(6) . . ?
C26 Mo4 C28 58.2(7) . . ?
C26 Mo4 Mo3B 134.6(5) . . ?
C27 Mo4 Mo3A 141.7(6) . . ?
C27 Mo4 P3 141.9(5) . . ?
C27 Mo4 P4 162.9(5) . . ?
C27 Mo4 C24 58.4(7) . . ?
C27 Mo4 C25 58.5(6) . . ?
C27 Mo4 C26 35.1(7) . . ?
C27 Mo4 C28 34.9(7) . . ?
C27 Mo4 Mo3B 144.8(6) . . ?
C28 Mo4 Mo3A 108.0(5) . . ?
C28 Mo4 P3 142.4(4) . . ?
C28 Mo4 P4 150.2(5) . . ?
C28 Mo4 C24 35.3(5) . . ?
C28 Mo4 C25 57.6(6) . . ?
C28 Mo4 Mo3B 111.2(6) . . ?
P3 Mo3A Mo4 51.9(3) . . ?
P4 Mo3A Mo4 54.2(3) . . ?
P4 Mo3A P3 49.6(3) . . ?
C15 Mo3A Mo4 128.5(7) . . ?
C15 Mo3A P3 77.7(6) . . ?
C15 Mo3A P4 86.9(6) . . ?
C15 Mo3A C19A 147.0(11) . . ?
C15 Mo3A C20A 116.8(11) . . ?
C15 Mo3A C17A 92.7(11) . . ?
C15 Mo3A C18A 126.0(10) . . ?
C15 Mo3A C21A 87.0(11) . . ?
C19A Mo3A Mo4 81.9(8) . . ?
C19A Mo3A P3 133.8(9) . . ?
C19A Mo3A P4 106.1(8) . . ?
C19A Mo3A C17A 59.2(11) . . ?
C20A Mo3A Mo4 98.2(8) . . ?
C20A Mo3A P3 138.8(9) . . ?
C20A Mo3A P4 91.0(9) . . ?
C20A Mo3A C19A 35.3(6) . . ?
C20A Mo3A C17A 58.1(11) . . ?
C17A Mo3A Mo4 138.8(11) . . ?
C17A Mo3A P3 163.0(11) . . ?
C17A Mo3A P4 144.9(10) . . ?
C18A Mo3A Mo4 104.0(10) . . ?
C18A Mo3A P3 145.2(11) . . ?
C18A Mo3A P4 141.9(10) . . ?
C18A Mo3A C19A 35.9(6) . . ?
C18A Mo3A C20A 58.8(11) . . ?
C18A Mo3A C17A 35.8(6) . . ?
C18A Mo3A C21A 59.9(12) . . ?
C21A Mo3A Mo4 134.1(10) . . ?
C21A Mo3A P3 154.6(11) . . ?
C21A Mo3A P4 110.0(9) . . ?
C21A Mo3A C19A 60.1(11) . . ?
C21A Mo3A C20A 35.9(6) . . ?
C21A Mo3A C17A 35.0(6) . . ?
C16 Mo3A Mo4 88.9(6) . . ?
C16 Mo3A P3 72.9(6) . . ?
C16 Mo3A P4 122.3(7) . . ?
C16 Mo3A C15 85.5(8) . . ?
C16 Mo3A C19A 110.8(10) . . ?
C16 Mo3A C20A 142.0(11) . . ?
C16 Mo3A C17A 92.6(10) . . ?
C16 Mo3A C18A 83.2(9) . . ?
C16 Mo3A C21A 126.5(10) . . ?
P1 Mo2A Mo1A 49.37(11) . . ?
P1 Mo2A P2 49.82(13) . . ?
P2 Mo2A Mo1A 52.19(11) . . ?
C8A Mo2A Mo1A 128.4(7) . . ?
C8A Mo2A P1 81.6(6) . . ?
C8A Mo2A P2 86.1(8) . . ?
C8A Mo2A C9 88.7(10) . . ?
C8A Mo2A C17 86.2(8) . . ?
C8A Mo2A C61 120.3(8) . . ?
C8A Mo2A C20 138.5(8) . . ?
C8A Mo2A C62 110.1(10) . . ?
C8A Mo2A C7 81.0(9) . . ?
C9 Mo2A Mo1A 91.8(4) . . ?
C9 Mo2A P1 74.3(4) . . ?
C9 Mo2A P2 124.1(4) . . ?
C9 Mo2A C17 92.7(6) . . ?
C9 Mo2A C61 85.1(6) . . ?
C9 Mo2A C20 112.0(6) . . ?
C9 Mo2A C62 142.8(7) . . ?
C9 Mo2A C7 127.0(7) . . ?
C17 Mo2A Mo1A 145.3(5) . . ?
C17 Mo2A P1 162.3(5) . . ?
C17 Mo2A P2 142.2(5) . . ?
C17 Mo2A C61 35.3(7) . . ?
C17 Mo2A C20 58.4(7) . . ?
C17 Mo2A C62 58.5(7) . . ?
C17 Mo2A C7 35.2(7) . . ?
C61 Mo2A Mo1A 111.1(5) . . ?
C61 Mo2A P1 149.9(5) . . ?
C61 Mo2A P2 142.7(5) . . ?
C61 Mo2A C20 34.7(6) . . ?
C61 Mo2A C62 57.8(7) . . ?
C61 Mo2A C7 57.9(7) . . ?
C20 Mo2A Mo1A 88.1(4) . . ?
C20 Mo2A P1 137.5(5) . . ?
C20 Mo2A P2 108.0(5) . . ?
C62 Mo2A Mo1A 99.9(5) . . ?
C62 Mo2A P1 138.2(5) . . ?
C62 Mo2A P2 89.9(5) . . ?
C62 Mo2A C20 34.5(7) . . ?
C7 Mo2A Mo1A 134.3(6) . . ?
C7 Mo2A P1 151.8(6) . . ?
C7 Mo2A P2 107.0(5) . . ?
C7 Mo2A C20 57.7(7) . . ?
C7 Mo2A C62 34.8(7) . . ?
P1 Mo1A Mo2A 52.29(10) . . ?
P1 Mo1A P2 50.67(10) . . ?
P1 Mo1A C5A 78.9(5) . . ?
P1 Mo1A C6A 88.8(5) . . ?
P2 Mo1A Mo2A 51.70(11) . . ?
C2A Mo1A Mo2A 85.2(5) . . ?
C2A Mo1A P1 123.8(6) . . ?
C2A Mo1A P2 74.9(7) . . ?
C2A Mo1A C1A 94.9(10) . . ?
C2A Mo1A C5A 142.1(7) . . ?
C2A Mo1A C4A 130.7(7) . . ?
C2A Mo1A C6A 109.8(8) . . ?
C2A Mo1A C3A 95.1(7) . . ?
C2A Mo1A C7A 85.2(8) . . ?
C1A Mo1A Mo2A 70.1(7) . . ?
C1A Mo1A P1 101.2(7) . . ?
C1A Mo1A P2 121.3(7) . . ?
C1A Mo1A C5A 111.1(8) . . ?
C1A Mo1A C4A 83.7(9) . . ?
C1A Mo1A C6A 141.9(9) . . ?
C1A Mo1A C3A 90.5(9) . . ?
C1A Mo1A C7A 126.3(9) . . ?
C5A Mo1A Mo2A 128.8(5) . . ?
C5A Mo1A P2 110.8(5) . . ?
C5A Mo1A C6A 34.6(5) . . ?
C4A Mo1A Mo2A 137.8(5) . . ?
C4A Mo1A P1 104.6(5) . . ?
C4A Mo1A P2 145.2(4) . . ?
C4A Mo1A C5A 34.5(5) . . ?
C4A Mo1A C6A 58.2(8) . . ?
C4A Mo1A C3A 35.9(5) . . ?
C6A Mo1A Mo2A 138.2(6) . . ?
C6A Mo1A P2 93.5(6) . . ?
C3A Mo1A Mo2A 160.5(6) . . ?
C3A Mo1A P1 137.6(5) . . ?
C3A Mo1A P2 147.0(6) . . ?
C3A Mo1A C5A 59.0(7) . . ?
C3A Mo1A C6A 59.8(8) . . ?
C7A Mo1A Mo2A 161.7(7) . . ?
C7A Mo1A P1 123.0(6) . . ?
C7A Mo1A P2 110.6(6) . . ?
C7A Mo1A C5A 57.3(8) . . ?
C7A Mo1A C4A 58.5(8) . . ?
C7A Mo1A C6A 34.5(5) . . ?
C7A Mo1A C3A 36.4(5) . . ?
Ag1 P3 Mo3A 130.7(4) . . ?
Ag1 P3 Mo3B 126.5(4) . . ?
Mo4 P3 Ag1 155.77(12) . . ?
Mo4 P3 Mo3A 73.5(4) . . ?
Mo4 P3 Mo3B 77.7(4) . . ?
P4 P3 Ag1 120.56(14) . . ?
P4 P3 Mo4 66.95(11) . . ?
P4 P3 Mo3A 63.2(3) . . ?
P4 P3 Mo3B 62.5(4) . . ?
Ag2 P4 Mo4 129.07(12) . . ?
Mo3A P4 Ag2 156.6(4) . . ?
Mo3A P4 Mo4 73.6(4) . . ?
P3 P4 Ag2 124.64(14) . . ?
P3 P4 Mo4 63.24(10) . . ?
P3 P4 Mo3A 67.2(4) . . ?
P3 P4 Mo3B 67.0(4) . . ?
Mo3B P4 Ag2 152.7(4) . . ?
Mo3B P4 Mo4 77.9(4) . . ?
Ag1 P1 Mo1B 155.5(2) . . ?
Ag1 P1 Mo2B 131.4(4) . . ?
Mo2A P1 Ag1 137.15(16) . . ?
Mo1A P1 Ag1 143.39(14) . . ?
Mo1A P1 Mo2A 78.33(12) . . ?
P2 P1 Ag1 128.18(16) . . ?
P2 P1 Mo2A 65.13(16) . . ?
P2 P1 Mo1A 67.62(12) . . ?
P2 P1 Mo1B 63.60(19) . . ?
P2 P1 Mo2B 62.5(4) . . ?
Mo2B P1 Mo1B 72.3(4) . . ?
Ag2 P2 Mo1A 121.28(12) . . ?
Ag2 P2 Mo1B 130.5(2) . . ?
Mo2A P2 Ag2 162.31(15) . . ?
Mo2A P2 Mo1A 76.11(11) . . ?
P1 P2 Ag2 118.28(14) . . ?
P1 P2 Mo2A 65.04(14) . . ?
P1 P2 Mo1A 61.71(12) . . ?
P1 P2 Mo1B 68.56(19) . . ?
P1 P2 Mo2B 67.2(4) . . ?
Mo2B P2 Ag2 153.9(3) . . ?
Mo2B P2 Mo1B 75.6(4) . . ?
O17 Al1 O20A 104.1(5) . . ?
O17 Al1 O20B 116.3(12) . . ?
O17 Al1 O19B 101.5(10) . . ?
O18 Al1 O17 108.4(4) . . ?
O18 Al1 O20A 110.6(5) . . ?
O18 Al1 O20B 119.1(11) . . ?
O18 Al1 O19B 104.5(12) . . ?
O20B Al1 O19B 104.7(15) . . ?
O19A Al1 O17 115.4(5) . . ?
O19A Al1 O18 110.3(6) . . ?
O19A Al1 O20A 107.9(6) . . ?
O22 Al2 O24 105.4(5) . . ?
O23 Al2 O22 114.4(5) . . ?
O23 Al2 O24 107.2(4) . . ?
O23 Al2 O21 108.8(5) . . ?
O21 Al2 O22 107.4(5) . . ?
O21 Al2 O24 113.8(5) . . ?
C72 O22 Al2 149.5(8) . . ?
C80 O24 Al2 151.1(9) . . ?
O11 C36 Mo6 174.5(10) . . ?
O9 C29 Mo5 173.1(10) . . ?
O12 C37 Mo6 176.2(12) . . ?
O10 C30 Mo5 176.7(10) . . ?
Mo8 C53 H53 123.2 . . ?
C1 C53 Mo8 69.4(6) . . ?
C1 C53 H53 125.9 . . ?
C1 C53 C54 108.1(11) . . ?
C54 C53 Mo8 73.1(6) . . ?
C54 C53 H53 125.9 . . ?
Mo7 C46 H46 119.8 . . ?
C45 C46 Mo7 70.6(7) . . ?
C45 C46 H46 125.4 . . ?
C47 C46 Mo7 75.9(7) . . ?
C47 C46 H46 125.4 . . ?
C47 C46 C45 109.2(12) . . ?
Mo7 C45 H45 119.2 . . ?
C46 C45 Mo7 72.6(7) . . ?
C46 C45 H45 127.0 . . ?
C49 C45 Mo7 73.2(7) . . ?
C49 C45 C46 106.0(11) . . ?
C49 C45 H45 127.0 . . ?
C76 O23 Al2 152.0(8) . . ?
O13 C43 Mo7 173.6(11) . . ?
O23 C76 C77 109.0(9) . . ?
O23 C76 C78 110.7(10) . . ?
O23 C76 C79 109.3(10) . . ?
C77 C76 C78 109.9(10) . . ?
C79 C76 C77 108.5(11) . . ?
C79 C76 C78 109.5(11) . . ?
O3A C8A Mo2A 178.1(19) . . ?
O15 C50 Mo8 175.0(10) . . ?
Mo8 C55 H55 120.1 . . ?
C5 C55 Mo8 70.9(6) . . ?
C5 C55 H55 125.9 . . ?
C54 C55 Mo8 74.8(6) . . ?
C54 C55 H55 125.9 . . ?
C54 C55 C5 108.2(11) . . ?
O14 C44 Mo7 176.3(12) . . ?
Mo8 C1 H1 118.8 . . ?
C53 C1 Mo8 75.4(6) . . ?
C53 C1 H1 125.7 . . ?
C53 C1 C5 108.6(12) . . ?
C5 C1 Mo8 71.9(6) . . ?
C5 C1 H1 125.7 . . ?
O6 C15 Mo3A 176.5(14) . . ?
O6 C15 Mo3B 175.7(15) . . ?
O4 C9 Mo2A 175.6(13) . . ?
O4 C9 Mo2B 168.7(13) . . ?
O2A C2A Mo1A 173.4(14) . . ?
Mo6 C42 H42 121.6 . . ?
C38 C42 Mo6 70.0(8) . . ?
C38 C42 H42 126.8 . . ?
C41 C42 Mo6 73.4(7) . . ?
C41 C42 H42 126.8 . . ?
C41 C42 C38 106.4(13) . . ?
Mo7 C49 H49 120.0 . . ?
C45 C49 Mo7 71.3(7) . . ?
C45 C49 H49 125.5 . . ?
C45 C49 C48 109.0(11) . . ?
C48 C49 Mo7 74.9(7) . . ?
C48 C49 H49 125.5 . . ?
O7 C22 Mo4 178.2(13) . . ?
O8 C23 Mo4 177.8(12) . . ?
Mo8 C5 H5 120.3 . . ?
C55 C5 Mo8 73.1(6) . . ?
C55 C5 H5 126.5 . . ?
C1 C5 Mo8 72.0(6) . . ?
C1 C5 C55 107.0(11) . . ?
C1 C5 H5 126.5 . . ?
O16 C51 Mo8 177.2(10) . . ?
Mo4 C24 H24 124.9 . . ?
C25 C24 Mo4 70.6(8) . . ?
C25 C24 H24 127.0 . . ?
C25 C24 C28 105.9(16) . . ?
C28 C24 Mo4 69.0(8) . . ?
C28 C24 H24 127.0 . . ?
F57 C77 C76 109.9(11) . . ?
F56 C77 F57 105.8(13) . . ?
F56 C77 C76 111.3(11) . . ?
F55 C77 F57 104.7(13) . . ?
F55 C77 C76 113.0(13) . . ?
F55 C77 F56 111.7(13) . . ?
Mo2A C17 H17 119.5 . . ?
C61 C17 Mo2A 72.8(9) . . ?
C61 C17 H17 126.7 . . ?
C7 C17 Mo2A 73.1(10) . . ?
C7 C17 H17 126.7 . . ?
C7 C17 C61 106.7(17) . . ?
Mo8 C54 H54 123.1 . . ?
C53 C54 Mo8 72.3(6) . . ?
C53 C54 C55 108.0(11) . . ?
C53 C54 H54 126.0 . . ?
C55 C54 Mo8 70.2(6) . . ?
C55 C54 H54 126.0 . . ?
O24 C80 C81 108.7(12) . . ?
O24 C80 C83 109.5(10) . . ?
O24 C80 C82 111.0(12) . . ?
C81 C80 C83 109.3(13) . . ?
C81 C80 C82 110.2(11) . . ?
C82 C80 C83 108.1(12) . . ?
Mo2A C61 H61 118.7 . . ?
C17 C61 Mo2A 71.9(10) . . ?
C17 C61 H61 125.1 . . ?
C17 C61 C20 109.8(17) . . ?
C20 C61 Mo2A 76.0(10) . . ?
C20 C61 H61 125.1 . . ?
Mo6 C38 H38 120.1 . . ?
C42 C38 Mo6 74.1(7) . . ?
C42 C38 H38 125.5 . . ?
C42 C38 C39 108.9(14) . . ?
C39 C38 Mo6 72.0(7) . . ?
C39 C38 H38 125.5 . . ?
Mo7 C47 H47 123.3 . . ?
C46 C47 Mo7 70.0(8) . . ?
C46 C47 H47 126.1 . . ?
C46 C47 C48 107.7(12) . . ?
C48 C47 Mo7 72.1(7) . . ?
C48 C47 H47 126.1 . . ?
Mo5 C35 H35 122.4 . . ?
C34 C35 Mo5 71.8(6) . . ?
C34 C35 H35 126.5 . . ?
C34 C35 C31 107.0(12) . . ?
C31 C35 Mo5 71.0(7) . . ?
C31 C35 H35 126.5 . . ?
Mo5 C32 H32 117.8 . . ?
C33 C32 Mo5 73.5(7) . . ?
C33 C32 H32 127.1 . . ?
C33 C32 C31 105.8(12) . . ?
C31 C32 Mo5 73.9(7) . . ?
C31 C32 H32 127.1 . . ?
F60 C78 F59 108.3(13) . . ?
F60 C78 C76 109.2(11) . . ?
F58 C78 F60 110.6(13) . . ?
F58 C78 F59 103.9(12) . . ?
F58 C78 C76 115.8(13) . . ?
F59 C78 C76 108.7(11) . . ?
Mo4 C25 H25 119.8 . . ?
C24 C25 Mo4 75.7(9) . . ?
C24 C25 H25 125.2 . . ?
C24 C25 C26 109.7(16) . . ?
C26 C25 Mo4 70.9(9) . . ?
C26 C25 H25 125.2 . . ?
F63 C79 F62 109.6(15) . . ?
F63 C79 C76 114.2(16) . . ?
F63 C79 F61 106.9(14) . . ?
F62 C79 C76 111.0(13) . . ?
F62 C79 F61 106.5(15) . . ?
F61 C79 C76 108.3(12) . . ?
Mo4 C26 H26 119.8 . . ?
C25 C26 Mo4 73.1(8) . . ?
C25 C26 H26 126.6 . . ?
C27 C26 Mo4 72.4(9) . . ?
C27 C26 C25 106.8(19) . . ?
C27 C26 H26 126.6 . . ?
F64 C81 F66 107.3(14) . . ?
F64 C81 C80 110.7(16) . . ?
F65 C81 F64 107.2(14) . . ?
F65 C81 F66 106.8(16) . . ?
F65 C81 C80 114.1(14) . . ?
F66 C81 C80 110.4(13) . . ?
Mo6 C40 H40 122.0 . . ?
C41 C40 Mo6 73.6(7) . . ?
C41 C40 H40 126.0 . . ?
C41 C40 C39 108.0(13) . . ?
C39 C40 Mo6 70.1(7) . . ?
C39 C40 H40 126.0 . . ?
Mo2A C20 H20 124.3 . . ?
C61 C20 Mo2A 69.3(10) . . ?
C61 C20 H20 126.9 . . ?
C61 C20 C62 106.2(17) . . ?
C62 C20 Mo2A 71.1(10) . . ?
C62 C20 H20 126.9 . . ?
F70 C83 F71 109.1(12) . . ?
F70 C83 F72 106.8(13) . . ?
F70 C83 C80 110.1(12) . . ?
F71 C83 C80 110.8(12) . . ?
F72 C83 F71 106.2(13) . . ?
F72 C83 C80 113.6(11) . . ?
F49 C74 F51 109.5(14) . . ?
F49 C74 F50 106.8(14) . . ?
F49 C74 C72 109.6(14) . . ?
F51 C74 F50 106.7(15) . . ?
F51 C74 C72 113.4(13) . . ?
F50 C74 C72 110.6(12) . . ?
Mo5 C34 H34 121.2 . . ?
C35 C34 Mo5 74.2(7) . . ?
C35 C34 H34 125.7 . . ?
C35 C34 C33 108.7(13) . . ?
C33 C34 Mo5 70.6(6) . . ?
C33 C34 H34 125.7 . . ?
Mo6 C41 H41 122.8 . . ?
C42 C41 Mo6 72.0(7) . . ?
C42 C41 H41 124.7 . . ?
C40 C41 Mo6 72.1(7) . . ?
C40 C41 C42 110.7(13) . . ?
C40 C41 H41 124.7 . . ?
O1A C1A Mo1A 173(2) . . ?
O22 C72 C74 111.1(11) . . ?
O22 C72 C75 109.6(10) . . ?
O22 C72 C73 110.1(10) . . ?
C74 C72 C75 108.4(11) . . ?
C73 C72 C74 110.0(11) . . ?
C73 C72 C75 107.6(11) . . ?
Cl4A C85A H85A 108.5 . . ?
Cl4A C85A H85B 108.5 . . ?
Cl3A C85A Cl4A 115.2(15) . . ?
Cl3A C85A H85A 108.5 . . ?
Cl3A C85A H85B 108.5 . . ?
H85A C85A H85B 107.5 . . ?
Mo7 C48 H48 122.5 . . ?
C49 C48 Mo7 70.1(7) . . ?
C49 C48 C47 108.1(11) . . ?
C49 C48 H48 126.0 . . ?
C47 C48 Mo7 73.1(7) . . ?
C47 C48 H48 126.0 . . ?
F52 C75 F53 107.6(12) . . ?
F52 C75 F54 107.4(12) . . ?
F52 C75 C72 112.9(12) . . ?
F53 C75 C72 109.6(11) . . ?
F54 C75 F53 108.4(12) . . ?
F54 C75 C72 110.8(11) . . ?
Mo4 C27 H27 120.5 . . ?
C26 C27 Mo4 72.5(9) . . ?
C26 C27 H27 125.8 . . ?
C28 C27 Mo4 72.9(9) . . ?
C28 C27 C26 108.3(16) . . ?
C28 C27 H27 125.8 . . ?
Mo4 C28 H28 118.5 . . ?
C24 C28 Mo4 75.6(8) . . ?
C24 C28 H28 125.4 . . ?
C27 C28 Mo4 72.3(9) . . ?
C27 C28 C24 109.2(16) . . ?
C27 C28 H28 125.4 . . ?
Mo3A C19A H19A 125.1 . . ?
C20A C19A Mo3A 72.2(17) . . ?
C20A C19A H19A 127.7 . . ?
C18A C19A Mo3A 66.6(19) . . ?
C18A C19A H19A 127.7 . . ?
C18A C19A C20A 105(3) . . ?
Mo6 C39 H39 119.6 . . ?
C38 C39 Mo6 71.7(7) . . ?
C38 C39 C40 106.0(13) . . ?
C38 C39 H39 127.0 . . ?
C40 C39 Mo6 73.7(7) . . ?
C40 C39 H39 127.0 . . ?
Mo3A C20A H20A 124.1 . . ?
C19A C20A Mo3A 72.6(17) . . ?
C19A C20A H20A 125.5 . . ?
C19A C20A C21A 109(3) . . ?
C21A C20A Mo3A 69.4(15) . . ?
C21A C20A H20A 125.5 . . ?
Mo5 C33 H33 120.9 . . ?
C32 C33 Mo5 71.4(7) . . ?
C32 C33 C34 108.4(13) . . ?
C32 C33 H33 125.8 . . ?
C34 C33 Mo5 73.7(6) . . ?
C34 C33 H33 125.8 . . ?
Mo2A C62 H62 120.5 . . ?
C20 C62 Mo2A 74.3(10) . . ?
C20 C62 H62 126.0 . . ?
C7 C62 Mo2A 71.0(10) . . ?
C7 C62 C20 108.1(17) . . ?
C7 C62 H62 126.0 . . ?
F69 C82 F68 108.0(14) . . ?
F69 C82 F67 106.1(12) . . ?
F69 C82 C80 112.8(15) . . ?
F68 C82 F67 109.8(16) . . ?
F68 C82 C80 111.4(11) . . ?
F67 C82 C80 108.6(13) . . ?
Mo5 C31 H31 121.8 . . ?
C35 C31 Mo5 74.7(7) . . ?
C35 C31 C32 110.0(13) . . ?
C35 C31 H31 125.0 . . ?
C32 C31 Mo5 70.1(7) . . ?
C32 C31 H31 125.0 . . ?
Cl2 C84 H84A 108.5 . . ?
Cl2 C84 H84B 108.5 . . ?
Cl1 C84 Cl2 114.9(10) . . ?
Cl1 C84 H84A 108.5 . . ?
Cl1 C84 H84B 108.5 . . ?
H84A C84 H84B 107.5 . . ?
Mo1A C5A H5A 123.2 . . ?
C4A C5A Mo1A 69.7(11) . . ?
C4A C5A H5A 125.6 . . ?
C4A C5A C6A 108.8(19) . . ?
C6A C5A Mo1A 73.1(10) . . ?
C6A C5A H5A 125.6 . . ?
Mo2A C7 H7 120.4 . . ?
C17 C7 Mo2A 71.8(10) . . ?
C17 C7 C62 109.1(19) . . ?
C17 C7 H7 125.5 . . ?
C62 C7 Mo2A 74.2(10) . . ?
C62 C7 H7 125.5 . . ?
Mo1A C4A H4A 118.9 . . ?
C5A C4A Mo1A 75.8(11) . . ?
C5A C4A H4A 124.9 . . ?
C5A C4A C3A 110.3(18) . . ?
C3A C4A Mo1A 72.1(11) . . ?
C3A C4A H4A 124.9 . . ?
Mo3A C17A H17A 129.4 . . ?
C18A C17A Mo3A 66(2) . . ?
C18A C17A H17A 127.3 . . ?
C21A C17A Mo3A 68.8(17) . . ?
C21A C17A H17A 127.3 . . ?
C21A C17A C18A 105(3) . . ?
Mo1A C6A H6A 124.8 . . ?
C5A C6A Mo1A 72.2(10) . . ?
C5A C6A H6A 127.6 . . ?
C7A C6A Mo1A 67.0(11) . . ?
C7A C6A C5A 105(2) . . ?
C7A C6A H6A 127.6 . . ?
F48A C73 F46 103.4(15) . . ?
F48A C73 F47A 109.9(15) . . ?
F48A C73 C72 109.2(14) . . ?
F46 C73 F47A 107.4(13) . . ?
F46 C73 C72 114.2(12) . . ?
F46 C73 F47B 93(2) . . ?
F47A C73 C72 112.3(12) . . ?
C72 C73 F47B 92.5(17) . . ?
F48B C73 F46 116(3) . . ?
F48B C73 C72 119(3) . . ?
F48B C73 F47B 115(3) . . ?
Mo3A C18A H18A 123.6 . . ?
C19A C18A Mo3A 77.6(19) . . ?
C19A C18A C17A 111(3) . . ?
C19A C18A H18A 123.6 . . ?
C17A C18A Mo3A 78(2) . . ?
C17A C18A H18A 123.6 . . ?
Mo1A C3A H3A 121.8 . . ?
C4A C3A Mo1A 72.0(11) . . ?
C4A C3A H3A 128.6 . . ?
C4A C3A C7A 102.9(17) . . ?
C7A C3A Mo1A 69.6(11) . . ?
C7A C3A H3A 128.6 . . ?
Mo1A C7A H7A 115.6 . . ?
C6A C7A Mo1A 78.5(12) . . ?
C6A C7A C3A 113(2) . . ?
C6A C7A H7A 123.5 . . ?
C3A C7A Mo1A 73.9(11) . . ?
C3A C7A H7A 123.5 . . ?
Mo3A C21A H21A 125.3 . . ?
C20A C21A Mo3A 74.7(16) . . ?
C20A C21A H21A 125.3 . . ?
C17A C21A Mo3A 76.2(19) . . ?
C17A C21A C20A 108(3) . . ?
C17A C21A H21A 125.3 . . ?
Cl6A C86A Cl5A 110.9(14) . . ?
Cl6A C86A H86A 109.5 . . ?
Cl6A C86A H86B 109.5 . . ?
Cl5A C86A H86A 109.5 . . ?
Cl5A C86A H86B 109.5 . . ?
H86A C86A H86B 108.0 . . ?
P1 Mo1B Mo2B 52.1(3) . . ?
P2 Mo1B P1 47.84(14) . . ?
P2 Mo1B Mo2B 50.5(3) . . ?
C3B Mo1B P1 115.0(13) . . ?
C3B Mo1B P2 149.3(13) . . ?
C3B Mo1B Mo2B 146.5(15) . . ?
C7B Mo1B P1 94.5(12) . . ?
C7B Mo1B P2 142.3(12) . . ?
C7B Mo1B Mo2B 110.9(15) . . ?
C7B Mo1B C3B 35.6(8) . . ?
C7B Mo1B C4B 59.5(12) . . ?
C6B Mo1B P1 108.6(16) . . ?
C6B Mo1B P2 142.2(15) . . ?
C6B Mo1B Mo2B 92.0(15) . . ?
C6B Mo1B C3B 60.9(15) . . ?
C6B Mo1B C7B 37.4(10) . . ?
C6B Mo1B C5B 37.5(10) . . ?
C6B Mo1B C4B 61.2(14) . . ?
C6B Mo1B C1B 137(2) . . ?
C5B Mo1B P1 145.9(16) . . ?
C5B Mo1B P2 150.7(13) . . ?
C5B Mo1B Mo2B 111.9(15) . . ?
C5B Mo1B C3B 59.1(13) . . ?
C5B Mo1B C7B 60.9(13) . . ?
C5B Mo1B C4B 35.7(8) . . ?
C4B Mo1B P1 149.8(13) . . ?
C4B Mo1B P2 154.8(13) . . ?
C4B Mo1B Mo2B 147.6(14) . . ?
C4B Mo1B C3B 34.7(8) . . ?
C2B Mo1B P1 119(3) . . ?
C2B Mo1B P2 71(3) . . ?
C2B Mo1B Mo2B 88(2) . . ?
C2B Mo1B C3B 121(3) . . ?
C2B Mo1B C7B 146(3) . . ?
C2B Mo1B C6B 118(3) . . ?
C2B Mo1B C5B 86(3) . . ?
C2B Mo1B C4B 89(3) . . ?
C2B Mo1B C1B 88(3) . . ?
C1B Mo1B P1 82.4(15) . . ?
C1B Mo1B P2 75.4(14) . . ?
C1B Mo1B Mo2B 123.9(15) . . ?
C1B Mo1B C3B 77.1(19) . . ?
C1B Mo1B C7B 103(2) . . ?
C1B Mo1B C5B 124(2) . . ?
C1B Mo1B C4B 88.3(19) . . ?
P1 Mo2B Mo1B 55.6(3) . . ?
P1 Mo2B C11A 149.0(14) . . ?
P2 Mo2B P1 50.2(4) . . ?
P2 Mo2B Mo1B 53.9(4) . . ?
P2 Mo2B C11A 139.6(15) . . ?
C9 Mo2B P1 71.2(6) . . ?
C9 Mo2B P2 120.0(8) . . ?
C9 Mo2B Mo1B 85.1(6) . . ?
C9 Mo2B C12A 109.8(16) . . ?
C9 Mo2B C13A 142.8(15) . . ?
C9 Mo2B C14A 128.2(18) . . ?
C9 Mo2B C10A 92.1(17) . . ?
C9 Mo2B C11A 85.6(14) . . ?
C12A Mo2B P1 137.6(13) . . ?
C12A Mo2B P2 105.6(15) . . ?
C12A Mo2B Mo1B 82.0(12) . . ?
C12A Mo2B C11A 34.1(8) . . ?
C13A Mo2B P1 140.1(15) . . ?
C13A Mo2B P2 90.4(14) . . ?
C13A Mo2B Mo1B 98.5(15) . . ?
C13A Mo2B C12A 35.7(8) . . ?
C13A Mo2B C11A 57.5(13) . . ?
C14A Mo2B P1 152.2(15) . . ?
C14A Mo2B P2 111.1(17) . . ?
C14A Mo2B Mo1B 135.6(16) . . ?
C14A Mo2B C12A 61.0(13) . . ?
C14A Mo2B C13A 37.1(9) . . ?
C14A Mo2B C10A 37.2(10) . . ?
C14A Mo2B C11A 58.8(15) . . ?
C10A Mo2B P1 159.0(17) . . ?
C10A Mo2B P2 147.9(17) . . ?
C10A Mo2B Mo1B 137.7(16) . . ?
C10A Mo2B C12A 59.3(14) . . ?
C10A Mo2B C13A 60.5(17) . . ?
C10A Mo2B C11A 34.4(8) . . ?
C11A Mo2B Mo1B 103.4(14) . . ?
C8B Mo2B P1 77(3) . . ?
C8B Mo2B P2 88(3) . . ?
C8B Mo2B C9 92(4) . . ?
C8B Mo2B Mo1B 131(3) . . ?
C8B Mo2B C12A 143(3) . . ?
C8B Mo2B C13A 112(4) . . ?
C8B Mo2B C14A 82(3) . . ?
C8B Mo2B C10A 91(3) . . ?
C8B Mo2B C11A 125(3) . . ?
F43A C71A C68 105(3) . . ?
F44A C71A F43A 105(3) . . ?
F44A C71A C68 113(3) . . ?
F45A C71A F43A 105(3) . . ?
F45A C71A F44A 105(3) . . ?
F45A C71A C68 123(3) . . ?
F41A C70A F42A 116(3) . . ?
F41A C70A F40A 132(3) . . ?
F41A C70A C68 108(2) . . ?
F42A C70A F40A 99(3) . . ?
F42A C70A C68 100(2) . . ?
F40A C70A C68 97(2) . . ?
F39A C69A F37A 118(3) . . ?
F39A C69A C68 107(2) . . ?
F37A C69A C68 105(2) . . ?
F38A C69A F39A 106(3) . . ?
F38A C69A F37A 112(3) . . ?
F38A C69A C68 110(2) . . ?
C53A C52 C55A 113(2) . . ?
C53A C52 C54A 108.7(18) . . ?
C54A C52 C55A 109(2) . . ?
O17 C52 C53A 107.1(13) . . ?
O17 C52 C55A 107.9(14) . . ?
O17 C52 C54A 111.0(12) . . ?
O17 C52 C53B 109.9(13) . . ?
O17 C52 C55B 109.2(14) . . ?
O17 C52 C54B 110.3(14) . . ?
C53B C52 C55B 108(2) . . ?
C53B C52 C54B 105.6(19) . . ?
C55B C52 C54B 114(2) . . ?
F2A C53A C52 119(3) . . ?
F2A C53A F3A 102(3) . . ?
F2A C53A F1 109(3) . . ?
F3A C53A C52 114(2) . . ?
F1 C53A C52 111(2) . . ?
F1 C53A F3A 101(2) . . ?
F8A C55A C52 110(2) . . ?
F8A C55A F9A 104(3) . . ?
F8A C55A F7 116(4) . . ?
F9A C55A C52 105(3) . . ?
F7 C55A C52 107(2) . . ?
F7 C55A F9A 116(3) . . ?
F5A C54A C52 112(2) . . ?
F5A C54A F4 106(2) . . ?
F6A C54A C52 114(2) . . ?
F6A C54A F5A 111(3) . . ?
F6A C54A F4 105(3) . . ?
F4 C54A C52 108.8(19) . . ?
C52 O17 Al1 152.3(7) . . ?
F1 C53B C52 112(2) . . ?
F1 C53B F2B 110(2) . . ?
F2B C53B C52 115(2) . . ?
F3B C53B C52 114(3) . . ?
F3B C53B F1 101(3) . . ?
F3B C53B F2B 103(3) . . ?
F9B C55B C52 109(3) . . ?
F7 C55B C52 115(3) . . ?
F7 C55B F9B 110(3) . . ?
F7 C55B F8B 107(3) . . ?
F8B C55B C52 116(2) . . ?
F8B C55B F9B 98(3) . . ?
F4 C54B C52 106(2) . . ?
F5B C54B C52 113(3) . . ?
F5B C54B F4 103(3) . . ?
F6B C54B C52 112(3) . . ?
F6B C54B F4 105(3) . . ?
F6B C54B F5B 116(3) . . ?
C17B C18B H18B 125.9 . . ?
C17B C18B Mo3B 65(2) . . ?
C19B C18B H18B 125.9 . . ?
C19B C18B C17B 108(3) . . ?
C19B C18B Mo3B 70(2) . . ?
Mo3B C18B H18B 130.5 . . ?
C18B C17B H17B 123.7 . . ?
C18B C17B Mo3B 80(2) . . ?
C21B C17B C18B 113(4) . . ?
C21B C17B H17B 123.7 . . ?
C21B C17B Mo3B 75(2) . . ?
Mo3B C17B H17B 112.9 . . ?
C17B C21B H21B 129.8 . . ?
C17B C21B C20B 100(3) . . ?
C17B C21B Mo3B 69(2) . . ?
C20B C21B H21B 129.8 . . ?
C20B C21B Mo3B 69.4(16) . . ?
Mo3B C21B H21B 123.9 . . ?
C21B C20B H20B 122.4 . . ?
C21B C20B C19B 115(3) . . ?
C21B C20B Mo3B 74.6(17) . . ?
C19B C20B H20B 122.4 . . ?
C19B C20B Mo3B 75.1(19) . . ?
Mo3B C20B H20B 122.4 . . ?
C18B C19B C20B 102(3) . . ?
C18B C19B H19B 128.8 . . ?
C18B C19B Mo3B 76(2) . . ?
C20B C19B H19B 128.8 . . ?
C20B C19B Mo3B 68.4(18) . . ?
Mo3B C19B H19B 119.2 . . ?
P3 Mo3B Mo4 50.4(3) . . ?
P4 Mo3B Mo4 52.7(3) . . ?
P4 Mo3B P3 50.5(3) . . ?
P4 Mo3B C18B 130.1(10) . . ?
C15 Mo3B Mo4 131.9(8) . . ?
C15 Mo3B P3 82.3(7) . . ?
C15 Mo3B P4 92.9(7) . . ?
C15 Mo3B C18B 127.0(12) . . ?
C15 Mo3B C17B 91.9(12) . . ?
C15 Mo3B C21B 74.3(12) . . ?
C15 Mo3B C20B 99.5(12) . . ?
C15 Mo3B C19B 134.9(13) . . ?
C15 Mo3B C16 89.7(9) . . ?
C18B Mo3B Mo4 100.8(10) . . ?
C18B Mo3B P3 146.8(12) . . ?
C17B Mo3B Mo4 135.2(11) . . ?
C17B Mo3B P3 159.3(12) . . ?
C17B Mo3B P4 150.1(12) . . ?
C17B Mo3B C18B 35.2(6) . . ?
C17B Mo3B C21B 35.8(7) . . ?
C17B Mo3B C20B 57.7(13) . . ?
C17B Mo3B C19B 59.7(12) . . ?
C21B Mo3B Mo4 148.0(11) . . ?
C21B Mo3B P3 154.0(13) . . ?
C21B Mo3B P4 118.6(10) . . ?
C21B Mo3B C18B 59.3(13) . . ?
C21B Mo3B C19B 62.2(12) . . ?
C20B Mo3B Mo4 112.8(10) . . ?
C20B Mo3B P3 142.9(10) . . ?
C20B Mo3B P4 92.5(9) . . ?
C20B Mo3B C18B 56.4(12) . . ?
C20B Mo3B C21B 36.0(6) . . ?
C20B Mo3B C19B 36.5(7) . . ?
C19B Mo3B Mo4 87.1(10) . . ?
C19B Mo3B P3 135.9(11) . . ?
C19B Mo3B P4 97.2(9) . . ?
C19B Mo3B C18B 34.1(6) . . ?
C16 Mo3B Mo4 84.8(6) . . ?
C16 Mo3B P3 73.0(6) . . ?
C16 Mo3B P4 122.4(8) . . ?
C16 Mo3B C18B 90.0(10) . . ?
C16 Mo3B C17B 87.1(12) . . ?
C16 Mo3B C21B 117.4(10) . . ?
C16 Mo3B C20B 143.6(11) . . ?
C16 Mo3B C19B 120.0(11) . . ?
O5 C16 Mo3A 177.8(13) . . ?
O5 C16 Mo3B 176.0(13) . . ?
C56 O18 Al1 152.1(7) . . ?
O18 C56 C58 111.6(11) . . ?
O18 C56 C57 108.1(11) . . ?
O18 C56 C59 106.8(10) . . ?
C58 C56 C57 109.5(13) . . ?
C58 C56 C59 111.5(11) . . ?
C57 C56 C59 109.2(13) . . ?
F14A C58 C56 107.1(15) . . ?
F14A C58 F15A 102.5(17) . . ?
F15A C58 C56 104.4(15) . . ?
F13A C58 C56 119.3(16) . . ?
F13A C58 F14A 105(2) . . ?
F13A C58 F15A 117(2) . . ?
F15B C58 C56 126.6(16) . . ?
F15B C58 F14B 111.2(18) . . ?
F15B C58 F13B 102.6(16) . . ?
F14B C58 C56 113.1(14) . . ?
F14B C58 F13B 89.6(16) . . ?
F13B C58 C56 106.0(14) . . ?
F12A C57 C56 102.1(17) . . ?
F12A C57 F11A 107.9(19) . . ?
F10A C57 C56 123.6(19) . . ?
F10A C57 F12A 113(2) . . ?
F10A C57 F11A 104(2) . . ?
F11A C57 C56 105.4(15) . . ?
F10B C57 C56 105.3(15) . . ?
F12B C57 C56 124.8(17) . . ?
F12B C57 F10B 106.0(19) . . ?
F12B C57 F11B 108(2) . . ?
F11B C57 C56 111.8(16) . . ?
F11B C57 F10B 97.5(16) . . ?
F16B C59 C56 117.2(15) . . ?
F16B C59 F17B 101.5(17) . . ?
F16B C59 F18 118.0(14) . . ?
F17B C59 C56 104.2(13) . . ?
F18 C59 C56 113.5(12) . . ?
F18 C59 F17B 98.4(15) . . ?
F18 C59 F16A 97.4(14) . . ?
F16A C59 C56 103.7(14) . . ?
F17A C59 C56 119.8(15) . . ?
F17A C59 F18 116.1(17) . . ?
F17A C59 F16A 102(2) . . ?
C64 O20A Al1 145.1(10) . . ?
O20A C64 C67A 106.5(11) . . ?
O20A C64 C66A 111.4(12) . . ?
O20A C64 C65A 113.3(11) . . ?
C66A C64 C67A 107.1(12) . . ?
C65A C64 C67A 107.7(13) . . ?
C65A C64 C66A 110.5(13) . . ?
O20B C64 C67B 115(2) . . ?
O20B C64 C66B 103(3) . . ?
O20B C64 C65B 91.1(19) . . ?
C67B C64 C66B 121(3) . . ?
C67B C64 C65B 117(2) . . ?
C65B C64 C66B 104(3) . . ?
F34A C67A C64 106.9(14) . . ?
F35A C67A C64 113.3(14) . . ?
F35A C67A F34A 107.7(16) . . ?
F36A C67A C64 113.9(14) . . ?
F36A C67A F34A 102.7(17) . . ?
F36A C67A F35A 111.4(17) . . ?
F33A C66A C64 112.5(15) . . ?
F33A C66A F31 110.7(15) . . ?
F31 C66A C64 111.3(16) . . ?
F32 C66A C64 110.9(14) . . ?
F32 C66A F33A 104.2(18) . . ?
F32 C66A F31 106.8(15) . . ?
F29A C65A C64 109.3(16) . . ?
F29A C65A F28A 108(2) . . ?
F28A C65A C64 106.8(16) . . ?
F30 C65A C64 113.8(18) . . ?
F30 C65A F29A 107.7(19) . . ?
F30 C65A F28A 111(2) . . ?
C64 O20B Al1 148(2) . . ?
F34B C67B C64 118(3) . . ?
F34B C67B F36B 99(3) . . ?
F35B C67B C64 116(3) . . ?
F35B C67B F34B 101(3) . . ?
F35B C67B F36B 102(3) . . ?
F36B C67B C64 118(3) . . ?
F31 C66B C64 114(4) . . ?
F31 C66B F33B 98(4) . . ?
F33B C66B C64 102(4) . . ?
F32 C66B C64 113(4) . . ?
F32 C66B F31 126(5) . . ?
F32 C66B F33B 96(4) . . ?
F29B C65B C64 119(3) . . ?
F30 C65B C64 114(3) . . ?
F30 C65B F29B 114(4) . . ?
F30 C65B F28B 98(3) . . ?
F28B C65B C64 113(3) . . ?
F28B C65B F29B 95(4) . . ?
Mo2B C12A H12A 118.8 . . ?
C13A C12A Mo2B 69(3) . . ?
C13A C12A H12A 126.3 . . ?
C13A C12A C11A 107.4(16) . . ?
C11A C12A Mo2B 78(3) . . ?
C11A C12A H12A 126.3 . . ?
Mo2B C13A H13A 121.8 . . ?
C12A C13A Mo2B 76(3) . . ?
C12A C13A H13A 125.6 . . ?
C14A C13A Mo2B 68(3) . . ?
C14A C13A C12A 109(2) . . ?
C14A C13A H13A 125.6 . . ?
Mo2B C14A H14A 116.9 . . ?
C13A C14A Mo2B 74(3) . . ?
C13A C14A H14A 126.6 . . ?
C13A C14A C10A 107(2) . . ?
C10A C14A Mo2B 74(3) . . ?
C10A C14A H14A 126.6 . . ?
Mo2B C10A H10A 116.1 . . ?
C14A C10A Mo2B 68(3) . . ?
C14A C10A H10A 125.6 . . ?
C14A C10A C11A 109(2) . . ?
C11A C10A Mo2B 82(4) . . ?
C11A C10A H10A 125.6 . . ?
Mo2B C11A H11A 133.3 . . ?
C12A C11A Mo2B 68(3) . . ?
C12A C11A H11A 126.5 . . ?
C10A C11A Mo2B 64(4) . . ?
C10A C11A C12A 107(2) . . ?
C10A C11A H11A 126.5 . . ?
O3B C8B Mo2B 174(9) . . ?
C60 O19A Al1 148.4(11) . . ?
O19A C60 C62A 106.8(11) . . ?
O19A C60 C61A 110.7(12) . . ?
O19A C60 C63A 108.8(11) . . ?
C61A C60 C62A 107.6(13) . . ?
C63A C60 C62A 110.3(11) . . ?
C63A C60 C61A 112.5(12) . . ?
O19B C60 C62B 114(2) . . ?
O19B C60 C61B 117(2) . . ?
O19B C60 C63B 111(2) . . ?
C62B C60 C61B 96(3) . . ?
C62B C60 C63B 114(2) . . ?
C63B C60 C61B 104(2) . . ?
F22A C62A C60 109.0(15) . . ?
F23 C62A C60 109.5(15) . . ?
F23 C62A F22A 105.5(16) . . ?
F24 C62A C60 110.9(14) . . ?
F24 C62A F22A 105.7(18) . . ?
F24 C62A F23 115.9(16) . . ?
F19A C61A C60 109.6(15) . . ?
F20A C61A C60 110.9(16) . . ?
F20A C61A F19A 108.7(17) . . ?
F21A C61A C60 113.2(16) . . ?
F21A C61A F19A 106.1(17) . . ?
F21A C61A F20A 108.2(17) . . ?
F25A C63A C60 110.3(13) . . ?
F26A C63A C60 112.8(13) . . ?
F26A C63A F25A 105.4(14) . . ?
F27A C63A C60 115.4(14) . . ?
F27A C63A F25A 101.0(19) . . ?
F27A C63A F26A 110.9(16) . . ?
C60 O19B Al1 151(2) . . ?
F23 C62B C60 112(3) . . ?
F24 C62B C60 116(3) . . ?
F24 C62B F23 107(3) . . ?
F22B C62B C60 120(4) . . ?
F22B C62B F23 101(3) . . ?
F22B C62B F24 99(4) . . ?
C60 C61B F19B 99(4) . . ?
F20B C61B C60 108(4) . . ?
F20B C61B F19B 84(4) . . ?
F21B C61B C60 121(4) . . ?
F21B C61B F19B 124(5) . . ?
F21B C61B F20B 116(6) . . ?
F25B C63B C60 120(3) . . ?
F25B C63B F26B 103(3) . . ?
F25B C63B F27B 105(3) . . ?
F26B C63B C60 107(3) . . ?
F27B C63B C60 117(3) . . ?
F27B C63B F26B 102(3) . . ?
Mo1B C3B H3B 125.7 . . ?
C7B C3B Mo1B 68(3) . . ?
C7B C3B H3B 125.9 . . ?
C4B C3B Mo1B 72(3) . . ?
C4B C3B H3B 125.9 . . ?
C4B C3B C7B 108.2(19) . . ?
Mo1B C7B H7B 122.5 . . ?
C3B C7B Mo1B 76(3) . . ?
C3B C7B H7B 126.1 . . ?
C6B C7B Mo1B 67(4) . . ?
C6B C7B C3B 107.9(15) . . ?
C6B C7B H7B 126.1 . . ?
Mo1B C6B H6B 115.1 . . ?
C7B C6B Mo1B 76(4) . . ?
C7B C6B H6B 126.3 . . ?
C5B C6B Mo1B 75(4) . . ?
C5B C6B C7B 107.4(13) . . ?
C5B C6B H6B 126.3 . . ?
Mo1B C5B H5B 121.9 . . ?
C6B C5B Mo1B 68(4) . . ?
C6B C5B H5B 125.6 . . ?
C6B C5B C4B 108.8(15) . . ?
C4B C5B Mo1B 77(3) . . ?
C4B C5B H5B 125.6 . . ?
Mo1B C4B H4B 124.3 . . ?
C3B C4B Mo1B 73(3) . . ?
C3B C4B C5B 107.6(16) . . ?
C3B C4B H4B 126.2 . . ?
C5B C4B Mo1B 68(3) . . ?
C5B C4B H4B 126.2 . . ?
O2B C2B Mo1B 179(7) . . ?
O1B C1B Mo1B 172(5) . . ?
C68 O21 Al2 152.9(10) . . ?
C71A C68 C70A 102(2) . . ?
C71A C68 C69A 111(2) . . ?
C69A C68 C70A 104.9(18) . . ?
O21 C68 C71A 114.2(16) . . ?
O21 C68 C70A 110.0(16) . . ?
O21 C68 C69A 113.5(17) . . ?
O21 C68 C71B 105.4(17) . . ?
O21 C68 C70B 110.4(18) . . ?
O21 C68 C69B 105.2(18) . . ?
C70B C68 C71B 122(2) . . ?
C69B C68 C71B 103(2) . . ?
C69B C68 C70B 109(2) . . ?
F45B C71B C68 109(3) . . ?
F45B C71B F43B 109(3) . . ?
F43B C71B C68 112(3) . . ?
F44B C71B C68 106(3) . . ?
F44B C71B F45B 111(3) . . ?
F44B C71B F43B 110(3) . . ?
F41B C70B C68 111(3) . . ?
F42B C70B C68 103(2) . . ?
F42B C70B F41B 108(3) . . ?
F40B C70B C68 109(3) . . ?
F40B C70B F41B 99(3) . . ?
F40B C70B F42B 127(3) . . ?
F39B C69B C68 101(3) . . ?
F37B C69B C68 113(3) . . ?
F37B C69B F39B 109(4) . . ?
F38B C69B C68 112(3) . . ?
F38B C69B F39B 109(4) . . ?
F38B C69B F37B 113(4) . . ?
Cl6B C86B Cl5B 96(3) . . ?
Cl6B C86B H86C 112.6 . . ?
Cl6B C86B H86D 112.6 . . ?
Cl5B C86B H86C 112.6 . . ?
Cl5B C86B H86D 112.6 . . ?
H86C C86B H86D 110.1 . . ?
Cl4B C85B H85C 107.9 . . ?
Cl4B C85B H85D 107.9 . . ?
Cl3B C85B Cl4B 118(4) . . ?
Cl3B C85B H85C 107.9 . . ?
Cl3B C85B H85D 107.9 . . ?
H85C C85B H85D 107.2 . . ?

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
Mo8 C53 C1 C5 64.8(8) . . . . ?
Mo8 C53 C54 C55 -61.5(7) . . . . ?
Mo8 C55 C5 C1 -64.5(8) . . . . ?
Mo8 C55 C54 C53 62.9(7) . . . . ?
Mo8 C1 C5 C55 65.2(7) . . . . ?
Mo6 C42 C38 C39 -64.0(9) . . . . ?
Mo6 C42 C41 C40 62.1(9) . . . . ?
Mo6 C38 C39 C40 -66.3(8) . . . . ?
Mo6 C40 C41 C42 -62.1(9) . . . . ?
Mo6 C40 C39 C38 64.9(9) . . . . ?
Mo7 C46 C45 C49 66.1(9) . . . . ?
Mo7 C46 C47 C48 -62.7(9) . . . . ?
Mo7 C45 C49 C48 66.0(9) . . . . ?
Mo7 C49 C48 C47 63.7(8) . . . . ?
Mo7 C47 C48 C49 -61.7(8) . . . . ?
Mo5 C35 C34 C33 62.6(8) . . . . ?
Mo5 C35 C31 C32 -61.6(9) . . . . ?
Mo5 C32 C33 C34 -64.8(8) . . . . ?
Mo5 C32 C31 C35 64.5(9) . . . . ?
Mo5 C34 C33 C32 63.3(8) . . . . ?
Mo4 C24 C25 C26 -63.4(10) . . . . ?
Mo4 C24 C28 C27 65.0(11) . . . . ?
Mo4 C25 C26 C27 -65.0(11) . . . . ?
Mo4 C26 C27 C28 -64.6(12) . . . . ?
Mo4 C27 C28 C24 -67.2(10) . . . . ?
Mo3A C19A C20A C21A -60.2(19) . . . . ?
Mo3A C19A C18A C17A 72(3) . . . . ?
Mo3A C20A C21A C17A -69(2) . . . . ?
Mo3A C17A C18A C19A -72(2) . . . . ?
Mo3A C17A C21A C20A 68.5(19) . . . . ?
Mo2A C17 C61 C20 -67.2(11) . . . . ?
Mo2A C17 C7 C62 65.3(12) . . . . ?
Mo2A C61 C20 C62 -62.0(12) . . . . ?
Mo2A C20 C62 C7 -63.4(12) . . . . ?
Mo2A C62 C7 C17 -63.7(13) . . . . ?
Mo1A C5A C4A C3A 64.5(14) . . . . ?
Mo1A C5A C6A C7A -59.4(14) . . . . ?
Mo1A C4A C3A C7A 63.3(13) . . . . ?
Mo1A C6A C7A C3A -66.8(15) . . . . ?
Mo1A C3A C7A C6A 69.6(16) . . . . ?
Al1 O18 C56 C58 -56(2) . . . . ?
Al1 O18 C56 C57 65(2) . . . . ?
Al1 O18 C56 C59 -177.9(15) . . . . ?
Al1 O20A C64 C67A -170.4(15) . . . . ?
Al1 O20A C64 C66A -54(2) . . . . ?
Al1 O20A C64 C65A 71(2) . . . . ?
Al1 O19A C60 C62A -92(2) . . . . ?
Al1 O19A C60 C61A 25(3) . . . . ?
Al1 O19A C60 C63A 148.7(18) . . . . ?
Al2 O22 C72 C74 111.1(17) . . . . ?
Al2 O22 C72 C75 -9(2) . . . . ?
Al2 O22 C72 C73 -126.7(16) . . . . ?
Al2 O24 C80 C81 171.2(15) . . . . ?
Al2 O24 C80 C83 -69(2) . . . . ?
Al2 O24 C80 C82 50(2) . . . . ?
Al2 O23 C76 C77 64(2) . . . . ?
Al2 O23 C76 C78 -57(2) . . . . ?
Al2 O23 C76 C79 -177.8(16) . . . . ?
Al2 O21 C68 C71A -53(3) . . . . ?
Al2 O21 C68 C70A 60(3) . . . . ?
Al2 O21 C68 C69A 178(2) . . . . ?
Al2 O21 C68 C71B -101(3) . . . . ?
Al2 O21 C68 C70B 33(3) . . . . ?
Al2 O21 C68 C69B 151(2) . . . . ?
O22 Al2 O24 C80 165.9(18) . . . . ?
O22 Al2 O23 C76 85.7(18) . . . . ?
O22 Al2 O21 C68 31(3) . . . . ?
O22 C72 C75 F52 -159.8(11) . . . . ?
O22 C72 C75 F53 80.3(13) . . . . ?
O22 C72 C75 F54 -39.3(15) . . . . ?
O22 C72 C73 F48A -49.8(16) . . . . ?
O22 C72 C73 F46 -165.0(11) . . . . ?
O22 C72 C73 F47A 72.4(15) . . . . ?
O22 C72 C73 F48B -21(3) . . . . ?
O22 C72 C73 F47B 100(2) . . . . ?
O24 Al2 O22 C72 -43.4(18) . . . . ?
O24 Al2 O23 C76 -157.9(17) . . . . ?
O24 Al2 O21 C68 -86(3) . . . . ?
O24 C80 C81 F64 -43.9(16) . . . . ?
O24 C80 C81 F65 -165.0(15) . . . . ?
O24 C80 C81 F66 74.7(19) . . . . ?
O24 C80 C83 F70 74.7(15) . . . . ?
O24 C80 C83 F71 -46.1(15) . . . . ?
O24 C80 C83 F72 -165.6(13) . . . . ?
O24 C80 C82 F69 -163.2(11) . . . . ?
O24 C80 C82 F68 -41.6(17) . . . . ?
O24 C80 C82 F67 79.4(14) . . . . ?
F49 C74 C72 O22 69.1(17) . . . . ?
F49 C74 C72 C75 -170.5(13) . . . . ?
F49 C74 C72 C73 -53.1(17) . . . . ?
F51 C74 C72 O22 -168.2(13) . . . . ?
F51 C74 C72 C75 -47.8(18) . . . . ?
F51 C74 C72 C73 69.6(17) . . . . ?
C53 C1 C5 Mo8 -67.1(8) . . . . ?
C53 C1 C5 C55 -1.9(13) . . . . ?
C46 C45 C49 Mo7 -65.7(9) . . . . ?
C46 C45 C49 C48 0.2(14) . . . . ?
C46 C47 C48 Mo7 61.3(9) . . . . ?
C46 C47 C48 C49 -0.4(14) . . . . ?
C45 C46 C47 Mo7 63.2(9) . . . . ?
C45 C46 C47 C48 0.5(15) . . . . ?
C45 C49 C48 Mo7 -63.6(9) . . . . ?
C45 C49 C48 C47 0.1(14) . . . . ?
O23 Al2 O22 C72 74.1(18) . . . . ?
O23 Al2 O24 C80 44(2) . . . . ?
O23 Al2 O21 C68 155(2) . . . . ?
O23 C76 C77 F57 -78.6(12) . . . . ?
O23 C76 C77 F56 38.2(16) . . . . ?
O23 C76 C77 F55 164.8(13) . . . . ?
O23 C76 C78 F60 -75.3(15) . . . . ?
O23 C76 C78 F58 159.1(13) . . . . ?
O23 C76 C78 F59 42.7(14) . . . . ?
O23 C76 C79 F63 -75.1(17) . . . . ?
O23 C76 C79 F62 49.4(17) . . . . ?
O23 C76 C79 F61 165.9(12) . . . . ?
F50 C74 C72 O22 -48.3(17) . . . . ?
F50 C74 C72 C75 72.1(15) . . . . ?
F50 C74 C72 C73 -170.5(13) . . . . ?
C1 C53 C54 Mo8 60.9(8) . . . . ?
C1 C53 C54 C55 -0.5(12) . . . . ?
C42 C38 C39 Mo6 65.4(10) . . . . ?
C42 C38 C39 C40 -0.9(15) . . . . ?
C5 C55 C54 Mo8 -63.5(7) . . . . ?
C5 C55 C54 C53 -0.7(12) . . . . ?
C24 C25 C26 Mo4 66.4(10) . . . . ?
C24 C25 C26 C27 1.4(17) . . . . ?
C77 C76 C78 F60 164.3(12) . . . . ?
C77 C76 C78 F58 38.7(17) . . . . ?
C77 C76 C78 F59 -77.8(13) . . . . ?
C77 C76 C79 F63 43.6(18) . . . . ?
C77 C76 C79 F62 168.1(13) . . . . ?
C77 C76 C79 F61 -75.4(15) . . . . ?
C17 C61 C20 Mo2A 64.5(12) . . . . ?
C17 C61 C20 C62 2.6(18) . . . . ?
C54 C53 C1 Mo8 -63.3(8) . . . . ?
C54 C53 C1 C5 1.5(13) . . . . ?
C54 C55 C5 Mo8 66.1(7) . . . . ?
C54 C55 C5 C1 1.6(12) . . . . ?
C61 C17 C7 Mo2A -65.5(12) . . . . ?
C61 C17 C7 C62 -0.3(19) . . . . ?
C61 C20 C62 Mo2A 60.7(11) . . . . ?
C61 C20 C62 C7 -2.7(18) . . . . ?
C38 C42 C41 Mo6 -62.6(9) . . . . ?
C38 C42 C41 C40 -0.5(15) . . . . ?
C47 C46 C45 Mo7 -66.6(10) . . . . ?
C47 C46 C45 C49 -0.5(15) . . . . ?
C35 C34 C33 Mo5 -64.9(8) . . . . ?
C35 C34 C33 C32 -1.6(13) . . . . ?
C78 C76 C77 F57 42.8(14) . . . . ?
C78 C76 C77 F56 159.6(13) . . . . ?
C78 C76 C77 F55 -73.8(17) . . . . ?
C78 C76 C79 F63 163.5(14) . . . . ?
C78 C76 C79 F62 -72.0(16) . . . . ?
C78 C76 C79 F61 44.5(16) . . . . ?
C25 C24 C28 Mo4 -61.4(9) . . . . ?
C25 C24 C28 C27 3.6(17) . . . . ?
C25 C26 C27 Mo4 65.5(10) . . . . ?
C25 C26 C27 C28 0.9(18) . . . . ?
C79 C76 C77 F57 162.5(11) . . . . ?
C79 C76 C77 F56 -80.7(15) . . . . ?
C79 C76 C77 F55 45.9(17) . . . . ?
C79 C76 C78 F60 45.3(16) . . . . ?
C79 C76 C78 F58 -80.4(16) . . . . ?
C79 C76 C78 F59 163.2(12) . . . . ?
C26 C27 C28 Mo4 64.4(12) . . . . ?
C26 C27 C28 C24 -2.8(19) . . . . ?
C81 C80 C83 F70 -166.3(12) . . . . ?
C81 C80 C83 F71 72.9(15) . . . . ?
C81 C80 C83 F72 -46.6(18) . . . . ?
C81 C80 C82 F69 76.3(17) . . . . ?
C81 C80 C82 F68 -162.1(15) . . . . ?
C81 C80 C82 F67 -41.1(19) . . . . ?
C20 C62 C7 Mo2A 65.6(11) . . . . ?
C20 C62 C7 C17 1.9(19) . . . . ?
C83 C80 C81 F64 -163.4(12) . . . . ?
C83 C80 C81 F65 75.6(18) . . . . ?
C83 C80 C81 F66 -44.8(19) . . . . ?
C83 C80 C82 F69 -43.0(15) . . . . ?
C83 C80 C82 F68 78.6(16) . . . . ?
C83 C80 C82 F67 -160.4(12) . . . . ?
C74 C72 C75 F52 78.8(15) . . . . ?
C74 C72 C75 F53 -41.1(14) . . . . ?
C74 C72 C75 F54 -160.7(13) . . . . ?
C74 C72 C73 F48A 73.0(16) . . . . ?
C74 C72 C73 F46 -42.2(16) . . . . ?
C74 C72 C73 F47A -164.8(13) . . . . ?
C74 C72 C73 F48B 102(3) . . . . ?
C74 C72 C73 F47B -137(2) . . . . ?
C34 C35 C31 Mo5 63.2(8) . . . . ?
C34 C35 C31 C32 1.7(14) . . . . ?
C41 C42 C38 Mo6 64.9(9) . . . . ?
C41 C42 C38 C39 0.9(15) . . . . ?
C41 C40 C39 Mo6 -64.3(9) . . . . ?
C41 C40 C39 C38 0.6(14) . . . . ?
C75 C72 C73 F48A -169.1(13) . . . . ?
C75 C72 C73 F46 75.7(14) . . . . ?
C75 C72 C73 F47A -46.9(15) . . . . ?
C75 C72 C73 F48B -140(3) . . . . ?
C75 C72 C73 F47B -19(2) . . . . ?
C28 C24 C25 Mo4 60.3(10) . . . . ?
C28 C24 C25 C26 -3.0(16) . . . . ?
C19A C20A C21A Mo3A 62(2) . . . . ?
C19A C20A C21A C17A -7(3) . . . . ?
C39 C40 C41 Mo6 62.0(9) . . . . ?
C39 C40 C41 C42 0.0(14) . . . . ?
C20A C19A C18A Mo3A -62.8(19) . . . . ?
C20A C19A C18A C17A 9(4) . . . . ?
C33 C32 C31 Mo5 -67.1(8) . . . . ?
C33 C32 C31 C35 -2.6(14) . . . . ?
C82 C80 C81 F64 78.0(17) . . . . ?
C82 C80 C81 F65 -43(2) . . . . ?
C82 C80 C81 F66 -163.4(15) . . . . ?
C82 C80 C83 F70 -46.4(15) . . . . ?
C82 C80 C83 F71 -167.2(12) . . . . ?
C82 C80 C83 F72 73.3(16) . . . . ?
C31 C35 C34 Mo5 -62.7(8) . . . . ?
C31 C35 C34 C33 -0.1(13) . . . . ?
C31 C32 C33 Mo5 67.3(8) . . . . ?
C31 C32 C33 C34 2.5(13) . . . . ?
C5A C4A C3A Mo1A -66.8(14) . . . . ?
C5A C4A C3A C7A -4(2) . . . . ?
C5A C6A C7A Mo1A 62.9(14) . . . . ?
C5A C6A C7A C3A -4(2) . . . . ?
C7 C17 C61 Mo2A 65.7(12) . . . . ?
C7 C17 C61 C20 -1.5(19) . . . . ?
C4A C5A C6A Mo1A 60.9(13) . . . . ?
C4A C5A C6A C7A 1(2) . . . . ?
C4A C3A C7A Mo1A -65.0(13) . . . . ?
C4A C3A C7A C6A 5(2) . . . . ?
C6A C5A C4A Mo1A -63.1(14) . . . . ?
C6A C5A C4A C3A 1(2) . . . . ?
C73 C72 C75 F52 -40.2(15) . . . . ?
C73 C72 C75 F53 -160.1(10) . . . . ?
C73 C72 C75 F54 80.3(14) . . . . ?
C18A C19A C20A Mo3A 59.0(19) . . . . ?
C18A C19A C20A C21A -1(3) . . . . ?
C18A C17A C21A Mo3A -56(3) . . . . ?
C18A C17A C21A C20A 13(4) . . . . ?
C21A C17A C18A Mo3A 58(2) . . . . ?
C21A C17A C18A C19A -14(4) . . . . ?
Mo1B C3B C7B C6B 60(5) . . . . ?
Mo1B C3B C4B C5B -59(4) . . . . ?
Mo1B C7B C6B C5B 69(5) . . . . ?
Mo1B C6B C5B C4B 66(5) . . . . ?
Mo1B C5B C4B C3B 63(4) . . . . ?
Mo2B C12A C13A C14A -61(4) . . . . ?
Mo2B C12A C11A C10A 52(5) . . . . ?
Mo2B C13A C14A C10A -68(4) . . . . ?
Mo2B C14A C10A C11A -73(5) . . . . ?
Mo2B C10A C11A C12A -54(5) . . . . ?
F43A C71A C68 C70A -179(2) . . . . ?
F43A C71A C68 C69A 69(3) . . . . ?
F43A C71A C68 O21 -61(3) . . . . ?
F44A C71A C68 C70A 67(3) . . . . ?
F44A C71A C68 C69A -45(3) . . . . ?
F44A C71A C68 O21 -175(2) . . . . ?
F45A C71A C68 C70A -60(3) . . . . ?
F45A C71A C68 C69A -172(3) . . . . ?
F45A C71A C68 O21 58(4) . . . . ?
F41A C70A C68 C71A -169(2) . . . . ?
F41A C70A C68 C69A -53(3) . . . . ?
F41A C70A C68 O21 70(2) . . . . ?
F42A C70A C68 C71A 70(2) . . . . ?
F42A C70A C68 C69A -174(2) . . . . ?
F42A C70A C68 O21 -52(3) . . . . ?
F40A C70A C68 C71A -30(2) . . . . ?
F40A C70A C68 C69A 86(2) . . . . ?
F40A C70A C68 O21 -152(2) . . . . ?
F39A C69A C68 C71A -176(2) . . . . ?
F39A C69A C68 C70A 75(3) . . . . ?
F39A C69A C68 O21 -45(3) . . . . ?
F37A C69A C68 C71A 59(3) . . . . ?
F37A C69A C68 C70A -51(3) . . . . ?
F37A C69A C68 O21 -171(2) . . . . ?
F38A C69A C68 C71A -62(3) . . . . ?
F38A C69A C68 C70A -171(2) . . . . ?
F38A C69A C68 O21 69(3) . . . . ?
C53A C52 C55A F8A 41(3) . . . . ?
C53A C52 C55A F9A -70(3) . . . . ?
C53A C52 C55A F7 167(2) . . . . ?
C53A C52 C54A F5A 170(2) . . . . ?
C53A C52 C54A F6A 43(3) . . . . ?
C53A C52 C54A F4 -74(2) . . . . ?
C53A C52 O17 Al1 122(2) . . . . ?
C55A C52 C53A F2A 165(3) . . . . ?
C55A C52 C53A F3A 45(3) . . . . ?
C55A C52 C53A F1 -68(3) . . . . ?
C55A C52 C54A F5A 46(2) . . . . ?
C55A C52 C54A F6A -80(3) . . . . ?
C55A C52 C54A F4 162.9(19) . . . . ?
C55A C52 O17 Al1 -116(2) . . . . ?
C54A C52 C53A F2A 43(3) . . . . ?
C54A C52 C53A F3A -76(3) . . . . ?
C54A C52 C53A F1 171(2) . . . . ?
C54A C52 C55A F8A 162(2) . . . . ?
C54A C52 C55A F9A 51(3) . . . . ?
C54A C52 C55A F7 -72(3) . . . . ?
C54A C52 O17 Al1 4(2) . . . . ?
O17 Al1 O18 C56 -19(2) . . . . ?
O17 Al1 O20A C64 -165.8(17) . . . . ?
O17 Al1 O20B C64 104(5) . . . . ?
O17 Al1 O19A C60 -85(2) . . . . ?
O17 Al1 O19B C60 -176(5) . . . . ?
O17 C52 C53A F2A -77(3) . . . . ?
O17 C52 C53A F3A 164(2) . . . . ?
O17 C52 C53A F1 51(3) . . . . ?
O17 C52 C55A F8A -77(3) . . . . ?
O17 C52 C55A F9A 172(2) . . . . ?
O17 C52 C55A F7 49(3) . . . . ?
O17 C52 C54A F5A -73(2) . . . . ?
O17 C52 C54A F6A 161(2) . . . . ?
O17 C52 C54A F4 44(2) . . . . ?
O17 C52 C53B F1 -42(3) . . . . ?
O17 C52 C53B F2B -169(2) . . . . ?
O17 C52 C53B F3B 72(3) . . . . ?
O17 C52 C55B F9B 86(3) . . . . ?
O17 C52 C55B F7 -39(4) . . . . ?
O17 C52 C55B F8B -165(3) . . . . ?
O17 C52 C54B F4 -48(2) . . . . ?
O17 C52 C54B F5B -160(2) . . . . ?
O17 C52 C54B F6B 66(3) . . . . ?
C53B C52 O17 Al1 167.4(19) . . . . ?
C53B C52 C55B F9B -155(3) . . . . ?
C53B C52 C55B F7 81(3) . . . . ?
C53B C52 C55B F8B -45(4) . . . . ?
C53B C52 C54B F4 -167(2) . . . . ?
C53B C52 C54B F5B 81(3) . . . . ?
C53B C52 C54B F6B -53(3) . . . . ?
C55B C52 O17 Al1 -74(3) . . . . ?
C55B C52 C53B F1 -161(3) . . . . ?
C55B C52 C53B F2B 72(3) . . . . ?
C55B C52 C53B F3B -47(3) . . . . ?
C55B C52 C54B F4 75(3) . . . . ?
C55B C52 C54B F5B -37(3) . . . . ?
C55B C52 C54B F6B -171(2) . . . . ?
C54B C52 O17 Al1 51(2) . . . . ?
C54B C52 C53B F1 77(3) . . . . ?
C54B C52 C53B F2B -50(3) . . . . ?
C54B C52 C53B F3B -169(2) . . . . ?
C54B C52 C55B F9B -38(3) . . . . ?
C54B C52 C55B F7 -162(3) . . . . ?
C54B C52 C55B F8B 71(4) . . . . ?
C18B C17B C21B C20B -9(4) . . . . ?
C18B C17B C21B Mo3B -72(3) . . . . ?
C17B C18B C19B C20B -10(4) . . . . ?
C17B C18B C19B Mo3B 54(3) . . . . ?
C17B C21B C20B C19B 3(3) . . . . ?
C17B C21B C20B Mo3B -62(2) . . . . ?
C21B C20B C19B C18B 5(4) . . . . ?
C21B C20B C19B Mo3B -65(2) . . . . ?
C19B C18B C17B C21B 13(4) . . . . ?
C19B C18B C17B Mo3B -57(3) . . . . ?
Mo3B C18B C17B C21B 69(3) . . . . ?
Mo3B C18B C19B C20B -64(2) . . . . ?
Mo3B C17B C21B C20B 62.9(18) . . . . ?
Mo3B C21B C20B C19B 65(2) . . . . ?
Mo3B C20B C19B C18B 69(2) . . . . ?
O18 Al1 O17 C52 168.8(15) . . . . ?
O18 Al1 O20A C64 77.9(18) . . . . ?
O18 Al1 O20B C64 -29(5) . . . . ?
O18 Al1 O19A C60 38(2) . . . . ?
O18 Al1 O19B C60 -63(6) . . . . ?
O18 C56 C58 F14A -85.7(16) . . . . ?
O18 C56 C58 F15A 166.0(14) . . . . ?
O18 C56 C58 F13A 34(3) . . . . ?
O18 C56 C58 F15B -166(2) . . . . ?
O18 C56 C58 F14B -22(2) . . . . ?
O18 C56 C58 F13B 74.1(17) . . . . ?
O18 C56 C57 F12A -84.6(16) . . . . ?
O18 C56 C57 F10A 147(2) . . . . ?
O18 C56 C57 F11A 28.0(18) . . . . ?
O18 C56 C57 F10B -167.6(12) . . . . ?
O18 C56 C57 F12B -45(3) . . . . ?
O18 C56 C57 F11B 87.6(17) . . . . ?
O18 C56 C59 F16B 38(2) . . . . ?
O18 C56 C59 F17B -73.6(17) . . . . ?
O18 C56 C59 F18 -179.5(12) . . . . ?
O18 C56 C59 F16A 76.0(16) . . . . ?
O18 C56 C59 F17A -36(3) . . . . ?
C58 C56 C57 F12A 37.2(18) . . . . ?
C58 C56 C57 F10A -92(3) . . . . ?
C58 C56 C57 F11A 149.7(15) . . . . ?
C58 C56 C57 F10B -45.8(17) . . . . ?
C58 C56 C57 F12B 77(3) . . . . ?
C58 C56 C57 F11B -150.7(16) . . . . ?
C58 C56 C59 F16B -84.5(19) . . . . ?
C58 C56 C59 F17B 164.3(16) . . . . ?
C58 C56 C59 F18 58.4(18) . . . . ?
C58 C56 C59 F16A -46.1(18) . . . . ?
C58 C56 C59 F17A -158(2) . . . . ?
C57 C56 C58 F14A 154.7(15) . . . . ?
C57 C56 C58 F15A 46.4(17) . . . . ?
C57 C56 C58 F13A -86(3) . . . . ?
C57 C56 C58 F15B 74(2) . . . . ?
C57 C56 C58 F14B -142.1(17) . . . . ?
C57 C56 C58 F13B -45.5(17) . . . . ?
C57 C56 C59 F16B 154.4(17) . . . . ?
C57 C56 C59 F17B 43.1(18) . . . . ?
C57 C56 C59 F18 -62.7(17) . . . . ?
C57 C56 C59 F16A -167.3(15) . . . . ?
C57 C56 C59 F17A 80(2) . . . . ?
C59 C56 C58 F14A 33.7(19) . . . . ?
C59 C56 C58 F15A -74.6(18) . . . . ?
C59 C56 C58 F13A 153(2) . . . . ?
C59 C56 C58 F15B -47(3) . . . . ?
C59 C56 C58 F14B 97.0(18) . . . . ?
C59 C56 C58 F13B -166.5(14) . . . . ?
C59 C56 C57 F12A 159.5(14) . . . . ?
C59 C56 C57 F10A 31(3) . . . . ?
C59 C56 C57 F11A -87.9(16) . . . . ?
C59 C56 C57 F10B 76.5(16) . . . . ?
C59 C56 C57 F12B -161(2) . . . . ?
C59 C56 C57 F11B -28(2) . . . . ?
O20A Al1 O17 C52 51.1(16) . . . . ?
O20A Al1 O18 C56 94.1(19) . . . . ?
O20A Al1 O19A C60 158.9(19) . . . . ?
O20A C64 C67A F34A -74.1(16) . . . . ?
O20A C64 C67A F35A 167.5(15) . . . . ?
O20A C64 C67A F36A 38.7(18) . . . . ?
O20A C64 C66A F33A -69.0(18) . . . . ?
O20A C64 C66A F31 166.1(12) . . . . ?
O20A C64 C66A F32 47(2) . . . . ?
O20A C64 C65A F29A -81.5(17) . . . . ?
O20A C64 C65A F28A 35(2) . . . . ?
O20A C64 C65A F30 158.1(14) . . . . ?
C67A C64 C66A F33A 47.1(19) . . . . ?
C67A C64 C66A F31 -77.9(17) . . . . ?
C67A C64 C66A F32 163.4(15) . . . . ?
C67A C64 C65A F29A 161.0(14) . . . . ?
C67A C64 C65A F28A -82.9(17) . . . . ?
C67A C64 C65A F30 40.6(19) . . . . ?
C66A C64 C67A F34A 166.6(15) . . . . ?
C66A C64 C67A F35A 48(2) . . . . ?
C66A C64 C67A F36A -80.6(17) . . . . ?
C66A C64 C65A F29A 44.3(18) . . . . ?
C66A C64 C65A F28A 160.5(16) . . . . ?
C66A C64 C65A F30 -76.1(18) . . . . ?
C65A C64 C67A F34A 47.8(16) . . . . ?
C65A C64 C67A F35A -70.6(18) . . . . ?
C65A C64 C67A F36A 160.6(14) . . . . ?
C65A C64 C66A F33A 164.1(15) . . . . ?
C65A C64 C66A F31 39.2(18) . . . . ?
C65A C64 C66A F32 -79.6(19) . . . . ?
O20B Al1 O17 C52 31(2) . . . . ?
O20B Al1 O18 C56 117(2) . . . . ?
O20B Al1 O19B C60 63(6) . . . . ?
O20B C64 C67B F34B -73(3) . . . . ?
O20B C64 C67B F35B 167(3) . . . . ?
O20B C64 C67B F36B 45(3) . . . . ?
O20B C64 C66B F31 172(5) . . . . ?
O20B C64 C66B F33B 67(4) . . . . ?
O20B C64 C66B F32 -34(6) . . . . ?
O20B C64 C65B F29B -17(4) . . . . ?
O20B C64 C65B F30 -156(3) . . . . ?
O20B C64 C65B F28B 93(3) . . . . ?
C67B C64 O20B Al1 -58(5) . . . . ?
C67B C64 C66B F31 -57(6) . . . . ?
C67B C64 C66B F33B -162(2) . . . . ?
C67B C64 C66B F32 97(5) . . . . ?
C67B C64 C65B F29B -136(3) . . . . ?
C67B C64 C65B F30 85(3) . . . . ?
C67B C64 C65B F28B -26(3) . . . . ?
C66B C64 O20B Al1 77(5) . . . . ?
C66B C64 C67B F34B 161(3) . . . . ?
C66B C64 C67B F35B 41(4) . . . . ?
C66B C64 C67B F36B -81(4) . . . . ?
C66B C64 C65B F29B 87(4) . . . . ?
C66B C64 C65B F30 -52(4) . . . . ?
C66B C64 C65B F28B -163(3) . . . . ?
C65B C64 O20B Al1 -178(5) . . . . ?
C65B C64 C67B F34B 32(3) . . . . ?
C65B C64 C67B F35B -88(3) . . . . ?
C65B C64 C67B F36B 150(2) . . . . ?
C65B C64 C66B F31 78(5) . . . . ?
C65B C64 C66B F33B -27(4) . . . . ?
C65B C64 C66B F32 -129(5) . . . . ?
C12A C13A C14A Mo2B 65(4) . . . . ?
C12A C13A C14A C10A -2(7) . . . . ?
C13A C12A C11A Mo2B -63(4) . . . . ?
C13A C12A C11A C10A -11(7) . . . . ?
C13A C14A C10A Mo2B 68(4) . . . . ?
C13A C14A C10A C11A -5(8) . . . . ?
C14A C10A C11A Mo2B 64(4) . . . . ?
C14A C10A C11A C12A 10(8) . . . . ?
C11A C12A C13A Mo2B 69(4) . . . . ?
C11A C12A C13A C14A 8(7) . . . . ?
O19A Al1 O17 C52 -66.9(17) . . . . ?
O19A Al1 O18 C56 -146.6(18) . . . . ?
O19A Al1 O20A C64 -42.8(19) . . . . ?
O19A C60 C62A F22A -75.1(17) . . . . ?
O19A C60 C62A F23 170.0(14) . . . . ?
O19A C60 C62A F24 40.9(19) . . . . ?
O19A C60 C61A F19A 41.3(19) . . . . ?
O19A C60 C61A F20A -78.7(18) . . . . ?
O19A C60 C61A F21A 159.5(15) . . . . ?
O19A C60 C63A F25A -77.1(16) . . . . ?
O19A C60 C63A F26A 165.5(13) . . . . ?
O19A C60 C63A F27A 37(2) . . . . ?
C62A C60 C61A F19A 157.7(15) . . . . ?
C62A C60 C61A F20A 37.6(19) . . . . ?
C62A C60 C61A F21A -84.1(19) . . . . ?
C62A C60 C63A F25A 166.2(15) . . . . ?
C62A C60 C63A F26A 48.7(18) . . . . ?
C62A C60 C63A F27A -80(2) . . . . ?
C61A C60 C62A F22A 166.0(15) . . . . ?
C61A C60 C62A F23 51.1(18) . . . . ?
C61A C60 C62A F24 -78.0(18) . . . . ?
C61A C60 C63A F25A 46.0(17) . . . . ?
C61A C60 C63A F26A -71.5(17) . . . . ?
C61A C60 C63A F27A 159.6(18) . . . . ?
C63A C60 C62A F22A 42.9(18) . . . . ?
C63A C60 C62A F23 -72.0(18) . . . . ?
C63A C60 C62A F24 158.9(15) . . . . ?
C63A C60 C61A F19A -80.6(17) . . . . ?
C63A C60 C61A F20A 159.3(14) . . . . ?
C63A C60 C61A F21A 38(2) . . . . ?
O19B Al1 O17 C52 -81.5(19) . . . . ?
O19B Al1 O18 C56 -127(2) . . . . ?
O19B Al1 O20B C64 -145(5) . . . . ?
O19B C60 C62B F23 -176(3) . . . . ?
O19B C60 C62B F24 -53(4) . . . . ?
O19B C60 C62B F22B 66(5) . . . . ?
O19B C60 C61B F19B 57(4) . . . . ?
O19B C60 C61B F20B -30(5) . . . . ?
O19B C60 C61B F21B -165(5) . . . . ?
O19B C60 C63B F25B -152(3) . . . . ?
O19B C60 C63B F26B 91(3) . . . . ?
O19B C60 C63B F27B -23(3) . . . . ?
C62B C60 O19B Al1 44(6) . . . . ?
C62B C60 C61B F19B 178(3) . . . . ?
C62B C60 C61B F20B 92(4) . . . . ?
C62B C60 C61B F21B -44(6) . . . . ?
C62B C60 C63B F25B 78(3) . . . . ?
C62B C60 C63B F26B -40(3) . . . . ?
C62B C60 C63B F27B -153(3) . . . . ?
C61B C60 O19B Al1 156(5) . . . . ?
C61B C60 C62B F23 60(4) . . . . ?
C61B C60 C62B F24 -176(4) . . . . ?
C61B C60 C62B F22B -57(4) . . . . ?
C61B C60 C63B F25B -26(3) . . . . ?
C61B C60 C63B F26B -143(3) . . . . ?
C61B C60 C63B F27B 104(3) . . . . ?
C63B C60 O19B Al1 -85(6) . . . . ?
C63B C60 C62B F23 -48(4) . . . . ?
C63B C60 C62B F24 75(4) . . . . ?
C63B C60 C62B F22B -165(4) . . . . ?
C63B C60 C61B F19B -66(3) . . . . ?
C63B C60 C61B F20B -152(4) . . . . ?
C63B C60 C61B F21B 72(6) . . . . ?
C3B C7B C6B Mo1B -66(5) . . . . ?
C3B C7B C6B C5B 3(8) . . . . ?
C7B C3B C4B Mo1B 59(4) . . . . ?
C7B C3B C4B C5B -1(7) . . . . ?
C7B C6B C5B Mo1B -70(5) . . . . ?
C7B C6B C5B C4B -4(8) . . . . ?
C6B C5B C4B Mo1B -60(5) . . . . ?
C6B C5B C4B C3B 3(8) . . . . ?
C4B C3B C7B Mo1B -61(4) . . . . ?
C4B C3B C7B C6B -1(8) . . . . ?
O21 Al2 O22 C72 -165.1(16) . . . . ?
O21 Al2 O24 C80 -76.8(19) . . . . ?
O21 Al2 O23 C76 -34.3(19) . . . . ?
O21 C68 C71B F45B -73(3) . . . . ?
O21 C68 C71B F43B 166(2) . . . . ?
O21 C68 C71B F44B 46(3) . . . . ?
O21 C68 C70B F41B 34(3) . . . . ?
O21 C68 C70B F42B -80(3) . . . . ?
O21 C68 C70B F40B 142(3) . . . . ?
O21 C68 C69B F39B -81(3) . . . . ?
O21 C68 C69B F37B 163(3) . . . . ?
O21 C68 C69B F38B 35(4) . . . . ?
C71B C68 C70B F41B 159(2) . . . . ?
C71B C68 C70B F42B 45(3) . . . . ?
C71B C68 C70B F40B -93(3) . . . . ?
C71B C68 C69B F39B 169(3) . . . . ?
C71B C68 C69B F37B 53(4) . . . . ?
C71B C68 C69B F38B -75(4) . . . . ?
C70B C68 C71B F45B 159(2) . . . . ?
C70B C68 C71B F43B 39(3) . . . . ?
C70B C68 C71B F44B -81(3) . . . . ?
C70B C68 C69B F39B 38(3) . . . . ?
C70B C68 C69B F37B -79(4) . . . . ?
C70B C68 C69B F38B 153(3) . . . . ?
C69B C68 C71B F45B 36(3) . . . . ?
C69B C68 C71B F43B -84(3) . . . . ?
C69B C68 C71B F44B 156(3) . . . . ?
C69B C68 C70B F41B -81(3) . . . . ?
C69B C68 C70B F42B 165(3) . . . . ?
C69B C68 C70B F40B 27(4) . . . . ?

_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 1.229
_oxdiff_exptl_absorpt_empirical_full_min 0.866
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.62(2)
2 0.38(2)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh_194_pr_b_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2300859'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2021-02-18
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6270)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H40 As3.24 Cu2 Mo8 O16 P4.76, 2(Al C16 F36 O4), 2(C7 H8)'
_chemical_formula_sum            'C102 H56 Al2 As3.24 Cu2 F72 Mo8 O24 P4.76'
_chemical_formula_weight         4372.18
_chemical_melting_point          ?
_chemical_oxdiff_formula         Mo4As2P2AlO12F36C51
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.6487(2)
_cell_length_b                   23.0766(2)
_cell_length_c                   19.1463(2)
_cell_angle_alpha                90
_cell_angle_beta                 111.6100(10)
_cell_angle_gamma                90
_cell_volume                     6838.89(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40903
_cell_measurement_temperature    123.01(10)
_cell_measurement_theta_max      66.6070
_cell_measurement_theta_min      4.5370
_shelx_estimated_absorpt_T_max   0.235
_shelx_estimated_absorpt_T_min   0.117
_exptl_absorpt_coefficient_mu    9.157
_exptl_absorpt_correction_T_max  0.520
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.90a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.123
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4213
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 -9 -8 0.1198
-6 -1 -7 0.1742
-8 3 -3 0.1485
-9 7 4 0.1180
-9 8 6 0.1156
-6 9 9 0.1509
8 -2 4 0.1487
9 -5 0 0.1259
-3 -15 0 0.1436
0 -14 -5 0.1729
6 -1 -12 0.1438
6 5 -11 0.1383
4 14 -4 0.1517
2 15 0 0.1610
-3 10 9 0.1692
-6 -9 9 0.1460
-5 3 12 0.1935
10 6 -6 0.1161
7 10 -1 0.1600
8 -3 -11 0.1259
-8 -10 0 0.1472
-9 -8 3 0.1255
-10 -4 7 0.1183
-10 -4 0 0.1314
-11 -2 3 0.1088
-11 2 7 0.1149
4 8 7 0.1829
11 0 -4 0.1136
10 3 -1 0.1216
9 5 2 0.1378
-10 1 -1 0.1311
-10 5 5 0.1065
10 -5 -4 0.1124
10 -1 0 0.1221
8 2 4 0.1472
6 -6 6 0.1628
7 -10 -7 0.1219
8 -9 1 0.1551
-6 5 -6 0.1718
-3 0 -10 0.1847
-8 10 2 0.1307
-7 11 6 0.1249
-1 9 -8 0.1715
-4 14 2 0.1475
4 1 -12 0.1566
1 -15 1 0.1584
-2 -10 9 0.1715
5 7 -11 0.1499
-8 -8 8 0.1214
-6 -12 3 0.1323

_exptl_crystal_size_max          0.411
_exptl_crystal_size_mid          0.306
_exptl_crystal_size_min          0.223
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7.5238 -8.6215 -8.1455 0.1090 0.4550 0.8838
-6.0748 -0.5973 -6.9764 -0.2077 -0.8658 0.4553
-8.4902 2.8078 -3.2187 -0.2325 -0.9698 0.0730
-9.4861 7.1541 3.6069 -0.1962 -0.8187 -0.5397
-8.8960 8.0735 5.8290 -0.1624 -0.6778 -0.7171
-6.3051 8.6076 9.3055 -0.0694 -0.2901 -0.9545
7.9145 -1.8432 4.3887 0.2290 0.9551 -0.1878
9.3619 -4.8273 0.4448 0.2290 0.9552 0.1872
-2.5543 -14.5291 0.4733 -0.8578 0.2057 0.4710
0.3084 -13.5360 -5.0688 -0.5590 0.1342 0.8182
5.8119 -0.8304 -12.1848 0.4832 -0.1157 0.8678
6.2802 5.0538 -11.2160 0.7800 -0.1869 0.5971
3.9770 13.6828 -3.6668 0.9482 -0.2274 -0.2218
2.2589 14.5744 0.1471 0.8334 -0.1999 -0.5153
-2.7641 10.2868 9.0373 0.1988 -0.0478 -0.9789
-5.8944 -9.2294 9.0565 -0.9265 0.2221 -0.3037
-5.3230 3.2898 11.9887 -0.3330 0.0797 -0.9396
9.6321 6.1144 -6.3581 0.9119 0.3233 0.2530
7.4967 10.3023 -0.7024 0.9043 0.3205 -0.2818
7.7542 -2.8067 -11.0388 0.4627 0.1642 0.8712
-7.5623 -9.9444 0.1519 -0.8796 -0.3646 0.3054
-8.9558 -8.3129 2.9553 -0.9224 -0.3824 0.0544
-9.9572 -4.1256 7.3854 -0.8493 -0.3521 -0.3934
-9.7480 -3.8053 0.0899 -0.6859 -0.7232 0.0813
-10.6639 -1.5079 3.0393 -0.6741 -0.7108 -0.2007
-10.5392 1.7778 6.6238 -0.5725 -0.6037 -0.5548
3.8802 8.0356 7.1875 0.4601 0.4850 -0.7437
10.8058 0.2510 -4.4943 0.6464 0.6817 0.3426
10.1202 3.1166 -1.0172 0.6881 0.7256 0.0066
8.6740 5.2043 1.9341 0.6625 0.6985 -0.2707
-9.5401 0.5947 -1.3718 -0.4301 -0.9025 0.0235
-10.1317 5.1305 4.9988 -0.3553 -0.7457 -0.5636
10.2729 -4.6496 -4.2758 0.3727 0.7822 0.4992
9.9245 -1.4503 0.2337 0.4287 0.8995 0.0843
7.9950 1.6854 4.2832 0.4097 0.8596 -0.3054
6.2389 -5.8497 5.6424 -0.0780 0.9875 -0.1373
6.8575 -10.4450 -6.7560 -0.0412 0.5206 0.8528
7.6497 -8.9878 1.0601 -0.0755 0.9554 0.2854
-5.9975 5.4079 -6.1191 0.0774 -0.9795 0.1858
-2.6362 0.0831 -10.0925 0.0594 -0.7532 0.6551
-7.8385 10.1605 1.9824 0.0668 -0.8452 -0.5302
-7.0014 10.5083 6.3945 0.0438 -0.5535 -0.8317
-1.2541 9.2182 -8.4730 0.5514 -0.8018 0.2304
-4.0999 13.8509 1.5093 0.4485 -0.6520 -0.6113
3.7015 0.7074 -12.4122 0.4562 -0.3500 0.8181
1.0876 -14.8414 0.5307 -0.6891 0.5283 0.4961
-1.9730 -9.8812 9.2543 -0.7630 0.5852 -0.2746
4.5738 6.7609 -11.0123 0.7739 -0.3689 0.5148
-8.2553 -7.6340 8.0665 -0.9491 -0.0749 -0.3060
-6.4745 -11.9898 2.8090 -0.9754 -0.0771 0.2066

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0918
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            66757
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        66.694
_diffrn_reflns_theta_max         66.694
_diffrn_reflns_theta_min         3.438
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -51.00 -26.00   1.00    3.17    --  -43.23  78.00  33.00   25
  2  ω    -16.00  44.00   1.00    3.17    --   43.23 -78.00 -91.00   60
  3  ω     41.00  66.00   1.00    9.99    --   86.50 -78.00 -91.00   25
  4  ω     96.00 121.00   1.00    9.99    --   86.50  78.00  33.00   25
  5  ω    -69.00 -20.00   1.00    9.99    --  -90.00  78.00  33.00   49
  6  ω   -129.00-104.00   1.00    9.99    --  -90.00 -78.00 -91.00   25
  7  ω    -69.00  26.00   1.00    3.17    --  -43.23  57.00 -30.00   95
  8  ω     -7.00  18.00   1.00    3.17    --  -43.23  37.00  60.00   25
  9  ω     19.00 114.00   1.00    3.17    --   43.23  37.00  30.00   95
 10  ω   -130.00-104.00   1.00    9.99    --  -90.00 -77.00   0.00   26
 11  ω   -164.00-103.00   1.00    9.99    --  -90.00 -77.00  30.00   61
 12  ω   -173.00-119.00   1.00    9.99    --  -90.00 -94.00 -60.00   54
 13  ω    -92.00 -34.00   1.00    9.99    --  -90.00  45.00  30.00   58
 14  ω    -66.00 -40.00   1.00    9.99    --  -90.00  61.00  30.00   26
 15  ω   -113.00 -25.00   1.00    9.99    --  -90.00  25.00-159.21   88
 16  ω   -122.00 -77.00   1.00    9.99    --  -90.00  77.00  90.00   45
 17  ω   -120.00 -88.00   1.00    9.99    --  -90.00  15.00  30.00   32
 18  ω    -68.00 -21.00   1.00    9.99    --  -90.00  15.00  30.00   47
 19  ω   -124.00 -97.00   1.00    9.99    --  -90.00-125.00 150.00   27
 20  ω   -117.00 -81.00   1.00    9.99    --  -90.00  61.00 150.00   36
 21  ω   -127.00-102.00   1.00    9.99    --  -90.00   0.00 -60.00   25
 22  ω    -52.00 -26.00   1.00    9.99    --  -90.00  61.00 150.00   26
 23  ω    -72.00 -21.00   1.00    9.99    --  -90.00   0.00 -60.00   51
 24  ω   -109.00 -84.00   1.00    9.99    --  -90.00  61.00  60.00   25
 25  ω    -66.00 -28.00   1.00    9.99    --  -90.00  61.00  60.00   38
 26  ω   -167.00-142.00   1.00    9.99    --  -90.00 -94.00-180.00   25
 27  ω   -163.00-123.00   1.00    9.99    --  -90.00-125.00 120.00   40
 28  ω    -43.00 -16.00   1.00    9.99    --  -90.00  77.00  90.00   27
 29  ω   -124.00 -36.00   1.00    9.99    --  -90.00  88.00 -29.84   88
 30  ω   -151.00-126.00   1.00    9.99    --  -90.00 -94.00   0.00   25
 31  ω   -103.00 -78.00   1.00    9.99    --  -90.00 125.00 150.00   25
 32  ω   -127.00 -97.00   1.00    9.99    --  -90.00 145.00  87.44   30
 33  ω   -161.00-136.00   1.00    9.99    --  -90.00-125.00  90.00   25
 34  ω    -94.00 -68.00   1.00    9.99    --  -90.00  61.00 -30.00   26
 35  ω   -109.00 -84.00   1.00    9.99    --  -90.00  30.00 -90.00   25
 36  ω   -136.00-108.00   1.00    9.99    --  -90.00-125.00  60.00   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dualflex, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0508693000
_diffrn_orient_matrix_UB_12      0.0494849000
_diffrn_orient_matrix_UB_13      -0.0187667000
_diffrn_orient_matrix_UB_21      0.0853927000
_diffrn_orient_matrix_UB_22      -0.0274765000
_diffrn_orient_matrix_UB_23      0.0520992000
_diffrn_orient_matrix_UB_31      0.0048833000
_diffrn_orient_matrix_UB_32      -0.0354435000
_diffrn_orient_matrix_UB_33      -0.0664767000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11151
_reflns_number_total             12040
_reflns_odcompleteness_completeness 98.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.90a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.90a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.90a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.040
_refine_diff_density_min         -1.031
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1776
_refine_ls_number_reflns         12040
_refine_ls_number_restraints     1302
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.070
_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)+(0.0962P)²+8.3638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1386
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C38C-C37A \\sim C38A-C37A \\sim C38B-C37B \\sim C40C-C37A \\sim C40A-C37A
\\sim C40B-C37B \\sim C39A-
 C37A \\sim C39B-C37B
 with sigma of 0.02
 C46-C45B \\sim C46-C45A
 with sigma of 0.02
 C47A-C46 \\sim C47B-C46 \\sim C48A-C47A \\sim C48B-C47B \\sim C49A-C48A \\sim
C49B-C48B \\sim C50A-
 C49A \\sim C50B-C49B \\sim C51A-C50A \\sim C51B-C50B \\sim C51A-C46 \\sim
C51B-C46
 with sigma of 0.02
 O12A-C41A \\sim O12B-C41B
 with sigma of 0.02
 F22B-C39B \\sim F24B-C39B \\sim F23B-C39B
 with sigma of 0.02
 F24B-F22B \\sim F22B-F23B \\sim F23B-F24B
 with sigma of 0.02
 F35C-C44C \\sim F36B-C44B \\sim F34C-C44C \\sim F36C-C44C \\sim F35B-C44B
\\sim F34B-C44B
 with sigma of 0.02
 C41B-F36B \\sim C41B-F34B \\sim C41B-F35B
 with sigma of 0.02
 F7B-C32B \\sim F8B-C32B \\sim F9B-C32B
 with sigma of 0.02
 F26C-F27C \\sim F27C-F25C \\sim F25C-F26C
 with sigma of 0.02
 C41A-C44C \\sim C44A-C41A \\sim C41A-C42A \\sim C41A-C42C \\sim C41A-C43C
\\sim C43A-C41A \\sim C41B-
 C44B \\sim C41B-C43B \\sim C41B-C42B
 with sigma of 0.02
 C33A-C36A \\sim C35B-C33B \\sim C33A-C35A \\sim C34A-C33A \\sim C34B-C33B
\\sim C36B-C33B
 with sigma of 0.02
 C42C-C41A \\sim C42A-C41A \\sim C42B-C41B \\sim C43C-C41A \\sim C43A-C41A
\\sim C43B-C41B \\sim C44C-
 C41A \\sim C44B-C41B \\sim C44A-C41A
 with sigma of 0.02
 F19C-C38C \\sim F21C-C38C \\sim F20C-C38C
 with sigma of 0.02
 F12B-C34B \\sim F10B-C34B \\sim F11B-C34B
 with sigma of 0.02
 F20C-F21C \\sim F21C-F19C \\sim F19C-F20C
 with sigma of 0.02
 F19B-C38B \\sim F20B-C38B \\sim F21B-C38B
 with sigma of 0.02
 F27B-C40B \\sim F25B-C40B \\sim F26B-C40B
 with sigma of 0.02
 F26A-C40A \\sim F25A-C40A \\sim F27A-C40A
 with sigma of 0.02
 F25C-C40C \\sim F27C-C40C \\sim F26C-C40C
 with sigma of 0.02
 C5B-C1 \\sim C5B-C4B \\sim C4B-C3B \\sim C2-C3B \\sim C2-C1
 with sigma of 0.02
3. Restrained planarity
 C5B, C1, C2, C3B, H1B, H2B
 with sigma of 0.1
 C1, C2, C3A, C5A, H1A, H2A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C51B \\sim C51A \\sim C50B \\sim C50A \\sim C49B \\sim C49A \\sim C48B \\sim
C48A \\sim C47B \\sim C47A \\sim C46 \\sim C45A \\sim C45B: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
P4 \\sim P3 \\sim As1 \\sim As2: within 2.4A with sigma of 0.005 and sigma for
terminal atoms of 0.01 within 2.4A
C39B \\sim F24B \\sim F22B \\sim F23B \\sim C38B \\sim F20B \\sim F21B \\sim
F19B \\sim C40B \\sim F27B \\sim F25B \\sim F26B: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 1.9A
C38C \\sim F20C \\sim F21C \\sim F19C \\sim C40C \\sim F26C \\sim F27C \\sim
F25C: within 1.9A with sigma of 0.01 and sigma for terminal atoms of 0.01
within 1.9A
C39A \\sim F24A \\sim F22A \\sim F23A \\sim C38A \\sim F20A \\sim F21A \\sim
F19A \\sim C40A \\sim F27A \\sim F25A \\sim F26A: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 1.9A
C41A \\sim C44A \\sim F35A \\sim F36A \\sim F34A \\sim C43A \\sim F32A \\sim
F33A \\sim F31A \\sim C42A \\sim F30A \\sim F28A \\sim F29A: within 1.9A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.9A
C44B \\sim F36B \\sim F34B \\sim F35B \\sim C43B \\sim F32B \\sim F33B \\sim
F31B \\sim C42B \\sim F29B \\sim F30B \\sim F28B: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 1.9A
O11B \\sim O11A \\sim C37B \\sim C37A \\sim C40B \\sim C40A \\sim C40C \\sim
C38B \\sim C38A \\sim C38C \\sim C39A \\sim C39B: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 1.9A
C33B \\sim C36B \\sim F17B \\sim F18B \\sim F16B \\sim C34B \\sim F10B \\sim
F12B \\sim F11B \\sim C35B \\sim F15B \\sim F13B \\sim F14B \\sim C33A: within
1.9A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.9A
C44C \\sim F36C \\sim F34C \\sim F35C \\sim C43C \\sim F32C \\sim F33C \\sim
F31C \\sim C42C \\sim F29C \\sim F30C \\sim F28C: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 1.9A
C41B \\sim C41A \\sim C42A \\sim C42C \\sim C42B \\sim C43C \\sim C43A \\sim
C43B \\sim C44C \\sim C44A \\sim C44B: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.9A
F18A \\sim C36A \\sim F16A \\sim F17A \\sim C33A: within 1.9A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 1.9A
O11A \\sim O11B: within 1.9A with sigma of 0.01 and sigma for terminal atoms of
0.01 within 1.9A
F7B \\sim C32B \\sim F9B \\sim F8B \\sim C29 \\sim F6B \\sim C31B \\sim F5B
\\sim F4B \\sim F1B \\sim F3B \\sim C30B \\sim F2B: within 1.9A with sigma of
0.005 and sigma for terminal atoms of 0.01 within 1.9A
C1 \\sim C2 \\sim C3B \\sim C5B \\sim C4B \\sim C6A \\sim C4A \\sim C6B \\sim
O1B: within 1.9A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
1.9A
Uanis(O12B) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.008
5. Others
 Fixed Sof: As1(0.81) As2(0.81) H1A(0.75) H1B(0.25) O1A(0.75) H2A(0.75)
 H2B(0.25) C4A(0.75) H4A(0.75) C6A(0.75) C5A(0.75) H5A(0.75) C3A(0.75)
 H3A(0.75) O12A(0.73) C41A(0.73) C44A(0.41) F35A(0.41) F36A(0.41) F34A(0.41)
 C43A(0.41) F32A(0.41) F33A(0.41) F31A(0.41) C42A(0.41) F30A(0.41) F28A(0.41)
 F29A(0.41) O11A(0.76) C37A(0.76) C39A(0.76) F24A(0.76) F22A(0.76) F23A(0.76)
 C38A(0.46) F20A(0.46) F21A(0.46) F19A(0.46) C40A(0.46) F27A(0.46) F25A(0.46)
 F26A(0.46) O10A(0.75) C33A(0.75) C34A(0.75) F11A(0.75) F12A(0.75) F10A(0.75)
 C36A(0.75) F17A(0.75) F18A(0.75) F16A(0.75) C35A(0.75) F14A(0.75) F15A(0.75)
 F13A(0.75) O9A(0.75) C32A(0.75) F9A(0.75) F7A(0.75) F8A(0.75) C31A(0.75)
 F4A(0.75) F5A(0.75) F6A(0.75) C30A(0.75) F2A(0.75) F3A(0.75) F1A(0.75)
 C45A(0.55) H45A(0.55) H45B(0.55) H45C(0.55) C47A(0.55) H47A(0.55) C48A(0.55)
 H48A(0.55) C49A(0.55) H49A(0.55) C50A(0.55) H50A(0.55) C51A(0.55) H51A(0.55)
 O12B(0.27) C44B(0.27) F36B(0.27) F34B(0.27) F35B(0.27) C43B(0.27) F32B(0.27)
 F33B(0.27) F31B(0.27) C42B(0.27) F29B(0.27) F30B(0.27) F28B(0.27) O11B(0.24)
 C37B(0.24) C39B(0.24) F24B(0.24) F22B(0.24) F23B(0.24) C38B(0.24) F20B(0.24)
 F21B(0.24) F19B(0.24) C40B(0.24) F27B(0.24) F25B(0.24) F26B(0.24) O9B(0.25)
 C32B(0.25) F9B(0.25) F7B(0.25) F8B(0.25) C31B(0.25) F5B(0.25) F6B(0.25)
 F4B(0.25) C30B(0.25) F3B(0.25) F1B(0.25) F2B(0.25) O10B(0.25) C33B(0.25)
 C36B(0.25) F18B(0.25) F16B(0.25) F17B(0.25) C35B(0.25) F14B(0.25) F15B(0.25)
 F13B(0.25) C34B(0.25) F11B(0.25) F12B(0.25) F10B(0.25) C4B(0.25) H4B(0.25)
 C5B(0.25) H5B(0.25) C3B(0.25) H3B(0.25) C6B(0.25) O1B(0.25) C38C(0.3)
 F20C(0.3) F21C(0.3) F19C(0.3) C40C(0.3) F26C(0.3) F27C(0.3) F25C(0.3)
 C44C(0.32) F36C(0.32) F34C(0.32) F35C(0.32) C43C(0.32) F32C(0.32) F33C(0.32)
 F31C(0.32) C42C(0.32) F29C(0.32) F30C(0.32) F28C(0.32) C48B(0.45) H48B(0.45)
 C50B(0.45) H50B(0.45) C49B(0.45) H49B(0.45) C51B(0.45) H51B(0.45) C47B(0.45)
 H47B(0.45) C45B(0.45) H45D(0.45) H45E(0.45) H45F(0.45) C41B(0.27) P3(0.19)
 P4(0.19)
6.a Ternary CH refined with riding coordinates:
 C1(H1A), C1(H1B), C2(H2A), C2(H2B), C4B(H4B)
6.b Aromatic/amide H refined with riding coordinates:
 C25(H25), C15(H15), C17(H17), C26(H26), C18(H18), C11(H11), C16(H16), C9(H9),
 C8(H8), C12(H12), C22(H22), C4A(H4A), C24(H24), C19(H19), C10(H10), C5A(H5A),
 C23(H23), C3A(H3A), C47A(H47A), C48A(H48A), C49A(H49A), C50A(H50A), C51A(H51A),
  C5B(H5B), C3B(H3B), C48B(H48B), C50B(H50B), C49B(H49B), C51B(H51B), C47B(H47B)
6.c Idealised Me refined as rotating group:
 C45A(H45A,H45B,H45C), C45B(H45D,H45E,H45F)
;
_atom_sites_solution_hydrogens   geom
_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
Mo1 Mo 0.55456(2) 0.45280(2) 0.71286(2) 0.02700(12) Uani 1 1 d . . . . .
Mo4 Mo 0.24922(2) 0.71539(2) 0.47078(2) 0.02812(12) Uani 1 1 d . . . . .
Mo3 Mo 0.25745(2) 0.65192(2) 0.61418(2) 0.02900(12) Uani 1 1 d . . . . .
Mo2 Mo 0.67912(3) 0.53270(2) 0.67408(2) 0.03149(12) Uani 1 1 d . . . . .
As1 As 0.38510(17) 0.66569(10) 0.57136(19) 0.0250(4) Uani 0.81 1 d . U P A 1
As2 As 0.2689(2) 0.60624(13) 0.49302(19) 0.0258(4) Uani 0.81 1 d . U P A 1
Cu1 Cu 0.41905(4) 0.57626(3) 0.51769(3) 0.02627(16) Uani 1 1 d . . . . .
P1 P 0.52036(8) 0.52739(5) 0.61133(6) 0.0288(3) Uani 1 1 d . . . . .
P2 P 0.58509(8) 0.45348(5) 0.59674(6) 0.0274(2) Uani 1 1 d . . . . .
Al1 Al 0.22221(9) 0.12276(6) 0.40627(7) 0.0294(3) Uani 1 1 d . . . . .
O5 O 0.3090(3) 0.52316(17) 0.6595(2) 0.0524(10) Uani 1 1 d . . . . .
O7 O 0.3715(3) 0.71037(18) 0.3805(2) 0.0485(10) Uani 1 1 d . . . . .
O3 O 0.6905(3) 0.5590(2) 0.5176(2) 0.0566(11) Uani 1 1 d . . . . .
O6 O 0.0713(3) 0.6077(2) 0.5186(3) 0.0568(11) Uani 1 1 d . . . . .
O8 O 0.3585(3) 0.81522(19) 0.5721(3) 0.0628(12) Uani 1 1 d . . . . .
O4 O 0.8091(3) 0.4288(2) 0.6943(2) 0.0599(12) Uani 1 1 d . . . . .
C20 C 0.2910(3) 0.5703(2) 0.6414(3) 0.0370(11) Uani 1 1 d . . . . .
O2 O 0.5053(4) 0.5624(2) 0.7858(3) 0.0703(15) Uani 1 1 d . . . . .
C27 C 0.3302(3) 0.7114(2) 0.4168(3) 0.0349(11) Uani 1 1 d . . . . .
C13 C 0.6857(4) 0.5478(2) 0.5740(3) 0.0426(12) Uani 1 1 d . . . . .
C14 C 0.7605(4) 0.4657(3) 0.6861(3) 0.0438(12) Uani 1 1 d . . . . .
C21 C 0.1395(4) 0.6230(2) 0.5513(3) 0.0403(12) Uani 1 1 d . . . . .
C25 C 0.1486(4) 0.7193(3) 0.3504(3) 0.0474(14) Uani 1 1 d . . . . .
H25 H 0.160468 0.702183 0.310082 0.057 Uiso 1 1 calc R U . . .
C15 C 0.3317(4) 0.7178(3) 0.7099(3) 0.0481(14) Uani 1 1 d . . . . .
H15 H 0.386681 0.732751 0.714746 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2261(4) 0.6588(3) 0.7208(3) 0.0488(14) Uani 1 1 d . . . . .
H17 H 0.197836 0.627591 0.734748 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3212(4) 0.7773(2) 0.5365(3) 0.0421(12) Uani 1 1 d . . . . .
C26 C 0.1690(4) 0.7767(3) 0.3771(3) 0.0452(13) Uani 1 1 d . . . . .
H26 H 0.197218 0.804783 0.358017 0.054 Uiso 1 1 calc R U . . .
C7 C 0.5276(5) 0.5238(3) 0.7606(4) 0.0536(16) Uani 1 1 d . . . . .
C18 C 0.1858(4) 0.7064(3) 0.6746(3) 0.0486(14) Uani 1 1 d . . . . .
H18 H 0.125216 0.712358 0.651544 0.058 Uiso 1 1 calc R U . . .
C11 C 0.7865(5) 0.5999(3) 0.7159(4) 0.0628(19) Uani 1 1 d . . . . .
H11 H 0.831468 0.600055 0.696569 0.075 Uiso 1 1 calc R U . . .
C1 C 0.5201(4) 0.3887(2) 0.7883(3) 0.0511(14) Uani 1 1 d D U . . .
H1A H 0.544746 0.387503 0.844472 0.061 Uiso 0.75 1 calc R U P B 1
H1B H 0.463886 0.385157 0.795700 0.061 Uiso 0.25 1 calc R U P C 2
C16 C 0.3165(4) 0.6662(3) 0.7426(3) 0.0474(14) Uani 1 1 d . . . . .
H16 H 0.359570 0.640705 0.773837 0.057 Uiso 1 1 calc R U . . .
O1A O 0.7397(3) 0.4359(3) 0.8385(3) 0.0533(14) Uani 0.75 1 d . . P D 1
C9 C 0.6594(5) 0.6193(3) 0.7314(3) 0.0541(15) Uani 1 1 d . . . . .
H9 H 0.603781 0.634414 0.724103 0.065 Uiso 1 1 calc R U . . .
C2 C 0.5486(4) 0.3558(2) 0.7382(4) 0.0525(14) Uani 1 1 d D U . . .
H2A H 0.597909 0.327848 0.752981 0.063 Uiso 0.75 1 calc R U P E 1
H2B H 0.514342 0.325640 0.701982 0.063 Uiso 0.25 1 calc R U P F 2
C8 C 0.7090(5) 0.5811(3) 0.7890(3) 0.0524(15) Uani 1 1 d . . . . .
H8 H 0.692304 0.566408 0.827923 0.063 Uiso 1 1 calc R U . . .
C12 C 0.7861(5) 0.5685(3) 0.7796(4) 0.0618(18) Uani 1 1 d . . . . .
H12 H 0.830447 0.543499 0.810204 0.074 Uiso 1 1 calc R U . . .
C22 C 0.1399(4) 0.7850(3) 0.4375(3) 0.0477(14) Uani 1 1 d . . . . .
H22 H 0.145416 0.819501 0.466012 0.057 Uiso 1 1 calc R U . . .
C4A C 0.4229(7) 0.4055(4) 0.6630(6) 0.037(2) Uani 0.75 1 d . U P G 1
H4A H 0.375476 0.419308 0.621021 0.044 Uiso 0.75 1 calc R U P G 1
C24 C 0.1073(3) 0.6918(3) 0.3945(3) 0.0502(14) Uani 1 1 d . . . . .
H24 H 0.087177 0.652897 0.389543 0.060 Uiso 1 1 calc R U . . .
C19 C 0.2505(5) 0.7436(3) 0.6683(3) 0.0504(14) Uani 1 1 d . . . . .
H19 H 0.241295 0.779088 0.641407 0.061 Uiso 1 1 calc R U . . .
C6A C 0.6764(5) 0.4446(4) 0.7919(4) 0.0394(15) Uani 0.75 1 d . U P D 1
C10 C 0.7092(6) 0.6305(3) 0.6871(4) 0.0615(19) Uani 1 1 d . . . . .
H10 H 0.692569 0.655029 0.644218 0.074 Uiso 1 1 calc R U . . .
C5A C 0.4407(5) 0.4195(3) 0.7403(4) 0.0378(15) Uani 0.75 1 d . . P G 1
H5A H 0.406965 0.444464 0.757924 0.045 Uiso 0.75 1 calc R U P G 1
C23 C 0.1016(3) 0.7331(3) 0.4471(4) 0.0513(15) Uani 1 1 d . . . . .
H23 H 0.075847 0.726628 0.483239 0.062 Uiso 1 1 calc R U . . .
C3A C 0.4874(5) 0.3681(3) 0.6605(4) 0.0415(16) Uani 0.75 1 d . . P G 1
H3A H 0.491795 0.352707 0.615937 0.050 Uiso 0.75 1 calc R U P G 1
O12A O 0.2237(4) 0.1478(2) 0.3234(3) 0.0313(11) Uani 0.73 1 d D . P H 1
C41A C 0.1808(7) 0.1614(6) 0.2506(5) 0.0500(15) Uani 0.73 1 d D U P H 1
C44A C 0.1243(13) 0.2133(9) 0.2418(11) 0.054(3) Uani 0.41 1 d D U P H 1
F35A F 0.0517(7) 0.1968(5) 0.2530(5) 0.065(2) Uani 0.41 1 d . U P H 1
F36A F 0.0819(10) 0.2329(8) 0.1708(10) 0.050(3) Uani 0.41 1 d . U P H 1
F34A F 0.1461(13) 0.2539(9) 0.2964(10) 0.076(5) Uani 0.41 1 d . U P H 1
C43A C 0.2496(12) 0.1814(10) 0.2201(10) 0.063(2) Uani 0.41 1 d D U P H 1
F32A F 0.3171(13) 0.1494(9) 0.2440(11) 0.080(4) Uani 0.41 1 d . U P H 1
F33A F 0.2730(9) 0.2389(6) 0.2366(6) 0.089(3) Uani 0.41 1 d . U P H 1
F31A F 0.2154(14) 0.1810(7) 0.1440(10) 0.066(4) Uani 0.41 1 d . U P H 1
C42A C 0.1358(14) 0.1069(7) 0.2135(10) 0.056(2) Uani 0.41 1 d D U P H 1
F30A F 0.1843(10) 0.0680(7) 0.2037(7) 0.087(4) Uani 0.41 1 d . U P H 1
F28A F 0.071(2) 0.1198(11) 0.141(2) 0.057(5) Uani 0.41 1 d . U P H 1
F29A F 0.0926(8) 0.0839(6) 0.2534(6) 0.065(3) Uani 0.41 1 d . U P H 1
O11A O 0.1219(4) 0.1364(3) 0.4116(3) 0.0376(14) Uani 0.76 1 d . U P H 1
C37A C 0.0617(7) 0.1290(5) 0.4420(5) 0.0517(16) Uani 0.76 1 d D U P H 1
C39A C -0.0221(6) 0.1587(5) 0.3940(5) 0.0644(17) Uani 0.76 1 d D U P H 1
F24A F -0.0068(4) 0.2092(3) 0.3732(4) 0.0916(19) Uani 0.76 1 d . U P H 1
F22A F -0.0784(3) 0.1643(3) 0.4286(3) 0.0668(14) Uani 0.76 1 d . U P H 1
F23A F -0.0614(5) 0.1267(5) 0.3326(4) 0.108(3) Uani 0.76 1 d . U P H 1
C38A C 0.0566(11) 0.0658(7) 0.4634(11) 0.065(2) Uani 0.46 1 d D U P H 1
F20A F 0.1227(7) 0.0472(4) 0.5203(6) 0.070(2) Uani 0.46 1 d . U P H 1
F21A F 0.0474(8) 0.0338(5) 0.4018(8) 0.076(3) Uani 0.46 1 d . U P H 1
F19A F -0.0162(7) 0.0584(4) 0.4781(8) 0.079(2) Uani 0.46 1 d . U P H 1
C40A C 0.0937(8) 0.1628(6) 0.5187(8) 0.059(2) Uani 0.46 1 d D U P H 1
F27A F 0.1773(5) 0.1541(4) 0.5617(4) 0.0563(19) Uani 0.46 1 d D U P H 1
F25A F 0.0502(6) 0.1506(5) 0.5640(4) 0.066(2) Uani 0.46 1 d D U P H 1
F26A F 0.0856(7) 0.2217(4) 0.5091(6) 0.060(2) Uani 0.46 1 d D U P H 1
O10A O 0.2338(4) 0.0461(2) 0.4150(3) 0.0324(10) Uani 0.75 1 d . . P H 1
C33A C 0.2886(6) 0.0007(5) 0.4311(4) 0.0436(17) Uani 0.75 1 d D U P H 1
C34A C 0.2353(6) -0.0552(3) 0.4299(4) 0.0483(18) Uani 0.75 1 d D . P H 1
F11A F 0.2168(5) -0.0596(3) 0.4903(4) 0.0664(16) Uani 0.75 1 d . . P H 1
F12A F 0.2782(4) -0.10349(19) 0.4245(3) 0.0686(15) Uani 0.75 1 d . . P H 1
F10A F 0.1622(4) -0.0556(2) 0.3714(4) 0.0784(18) Uani 0.75 1 d . . P H 1
C36A C 0.3335(8) -0.0048(4) 0.3737(5) 0.061(2) Uani 0.75 1 d D U P H 1
F17A F 0.3606(5) 0.0470(3) 0.3617(4) 0.0822(19) Uani 0.75 1 d . U P H 1
F18A F 0.2825(7) -0.0217(4) 0.3083(4) 0.089(3) Uani 0.75 1 d . U P H 1
F16A F 0.4004(5) -0.0411(3) 0.3956(4) 0.089(2) Uani 0.75 1 d . U P H 1
C35A C 0.3603(5) 0.0059(4) 0.5117(4) 0.0507(19) Uani 0.75 1 d D . P H 1
F14A F 0.4213(3) 0.0426(2) 0.5133(3) 0.0676(14) Uani 0.75 1 d . . P H 1
F15A F 0.3978(4) -0.0446(2) 0.5389(3) 0.0669(14) Uani 0.75 1 d . . P H 1
F13A F 0.3261(4) 0.0255(2) 0.5593(2) 0.0604(13) Uani 0.75 1 d . . P H 1
O9A O 0.3072(3) 0.1521(2) 0.4791(3) 0.0315(10) Uani 0.75 1 d . . P H 1
C32A C 0.4216(6) 0.1863(3) 0.5851(4) 0.0470(18) Uani 0.75 1 d . . P H 1
F9A F 0.3796(4) 0.1625(2) 0.6247(3) 0.0564(12) Uani 0.75 1 d . . P H 1
F7A F 0.4602(4) 0.2341(2) 0.6214(3) 0.0636(14) Uani 0.75 1 d . . P H 1
F8A F 0.4848(3) 0.1499(2) 0.5873(3) 0.0558(12) Uani 0.75 1 d . . P H 1
C31A C 0.4155(6) 0.2068(4) 0.4533(5) 0.052(2) Uani 0.75 1 d . . P H 1
F4A F 0.3701(4) 0.2340(2) 0.3895(2) 0.0640(14) Uani 0.75 1 d . . P H 1
F5A F 0.4407(5) 0.1592(3) 0.4352(4) 0.0645(17) Uani 0.75 1 d . . P H 1
F6A F 0.4852(4) 0.2386(3) 0.4871(3) 0.0712(15) Uani 0.75 1 d . . P H 1
C30A C 0.3066(7) 0.2539(4) 0.5002(5) 0.059(2) Uani 0.75 1 d . . P H 1
F2A F 0.2379(4) 0.2561(2) 0.4378(3) 0.0705(15) Uani 0.75 1 d . . P H 1
F3A F 0.3527(6) 0.3026(3) 0.5049(4) 0.087(2) Uani 0.75 1 d . . P H 1
F1A F 0.2797(6) 0.2565(3) 0.5563(4) 0.083(2) Uani 0.75 1 d . . P H 1
C45A C 0.119(2) 0.4681(12) 0.4950(12) 0.092(7) Uani 0.55 1 d D U P I 1
H45A H 0.114713 0.446238 0.537246 0.137 Uiso 0.55 1 calc R U P I 1
H45B H 0.087829 0.504714 0.489309 0.137 Uiso 0.55 1 calc R U P I 1
H45C H 0.180366 0.476133 0.504689 0.137 Uiso 0.55 1 calc R U P I 1
C46 C 0.0817(5) 0.4332(3) 0.4245(5) 0.0686(16) Uani 1 1 d D U . . .
C47A C 0.0929(10) 0.3747(5) 0.4249(9) 0.059(3) Uani 0.55 1 d D U P I 1
H47A H 0.128523 0.354683 0.468738 0.070 Uiso 0.55 1 calc R U P I 1
C48A C 0.0498(9) 0.3458(6) 0.3583(8) 0.061(3) Uani 0.55 1 d D U P I 1
H48A H 0.052730 0.304798 0.356347 0.073 Uiso 0.55 1 calc R U P I 1
C49A C 0.0014(11) 0.3775(7) 0.2932(10) 0.078(3) Uani 0.55 1 d D U P I 1
H49A H -0.024351 0.358278 0.246305 0.093 Uiso 0.55 1 calc R U P I 1
C50A C -0.0082(11) 0.4377(7) 0.2986(11) 0.083(3) Uani 0.55 1 d D U P I 1
H50A H -0.043081 0.458800 0.255458 0.099 Uiso 0.55 1 calc R U P I 1
C51A C 0.0321(10) 0.4665(8) 0.3651(9) 0.077(3) Uani 0.55 1 d D U P I 1
H51A H 0.025852 0.507101 0.369651 0.093 Uiso 0.55 1 calc R U P I 1
O12B O 0.1837(11) 0.1517(7) 0.3142(8) 0.033(4) Uani 0.27 1 d D U P H 2
C44B C 0.1382(13) 0.2176(12) 0.2375(11) 0.046(3) Uani 0.27 1 d D U P H 2
F36B F 0.1018(16) 0.2249(11) 0.1661(13) 0.056(5) Uani 0.27 1 d D U P H 2
F34B F 0.2008(7) 0.2557(4) 0.2516(6) 0.037(2) Uani 0.27 1 d D U P H 2
F35B F 0.1014(10) 0.2254(6) 0.2853(8) 0.041(3) Uani 0.27 1 d D U P H 2
C43B C 0.2856(14) 0.1856(12) 0.2701(14) 0.052(3) Uani 0.27 1 d D U P H 2
F32B F 0.3407(9) 0.1444(6) 0.3113(7) 0.055(3) Uani 0.27 1 d . U P H 2
F33B F 0.3254(8) 0.2353(6) 0.3149(7) 0.052(3) Uani 0.27 1 d . U P H 2
F31B F 0.3131(9) 0.1956(8) 0.2138(8) 0.049(3) Uani 0.27 1 d . U P H 2
C42B C 0.1583(17) 0.1390(11) 0.1764(11) 0.056(2) Uani 0.27 1 d D U P H 2
F29B F 0.2149(16) 0.0936(11) 0.1889(13) 0.058(4) Uani 0.27 1 d . U P H 2
F30B F 0.1486(13) 0.1689(7) 0.1192(7) 0.064(3) Uani 0.27 1 d . U P H 2
F28B F 0.0836(14) 0.1183(10) 0.1780(14) 0.059(4) Uani 0.27 1 d . U P H 2
O11B O 0.1396(16) 0.1205(11) 0.4319(14) 0.045(3) Uani 0.24 1 d . U P H 2
C37B C 0.064(3) 0.1353(13) 0.4331(17) 0.058(2) Uani 0.24 1 d D U P H 2
C39B C 0.0001(15) 0.1457(8) 0.3521(16) 0.068(3) Uani 0.24 1 d D U P H 2
F24B F 0.0125(11) 0.1932(8) 0.3172(11) 0.076(4) Uani 0.24 1 d D U P H 2
F22B F -0.0840(11) 0.1507(8) 0.3401(14) 0.082(5) Uani 0.24 1 d D U P H 2
F23B F 0.0020(10) 0.1017(8) 0.3075(9) 0.069(4) Uani 0.24 1 d D U P H 2
C38B C 0.0259(13) 0.0907(12) 0.4711(13) 0.070(3) Uani 0.24 1 d D U P H 2
F20B F 0.0912(13) 0.0738(10) 0.5358(11) 0.073(4) Uani 0.24 1 d D U P H 2
F21B F -0.0102(18) 0.0457(10) 0.4219(16) 0.087(5) Uani 0.24 1 d D U P H 2
F19B F -0.0351(12) 0.1162(9) 0.4936(12) 0.082(4) Uani 0.24 1 d D U P H 2
C40B C 0.0680(12) 0.1981(13) 0.4633(15) 0.067(3) Uani 0.24 1 d D U P H 2
F27B F 0.106(2) 0.1982(15) 0.5353(16) 0.074(5) Uani 0.24 1 d D U P H 2
F25B F -0.0042(13) 0.2241(8) 0.4478(11) 0.080(4) Uani 0.24 1 d D U P H 2
F26B F 0.1209(12) 0.2320(7) 0.4480(10) 0.071(4) Uani 0.24 1 d D U P H 2
O9B O 0.2980(9) 0.1828(8) 0.4514(9) 0.036(3) Uani 0.25 1 d . . P H 2
C29 C 0.3608(4) 0.1981(3) 0.5053(3) 0.0507(13) Uani 1 1 d . U . . .
C32B C 0.443(2) 0.1593(12) 0.5301(13) 0.076(3) Uani 0.25 1 d D U P H 2
F9B F 0.4291(16) 0.1071(9) 0.5575(13) 0.112(6) Uani 0.25 1 d D U P H 2
F7B F 0.5159(15) 0.1847(10) 0.5757(13) 0.099(5) Uani 0.25 1 d D U P H 2
F8B F 0.4528(17) 0.1418(12) 0.4659(14) 0.089(6) Uani 0.25 1 d D U P H 2
C31B C 0.385(2) 0.2659(15) 0.5070(17) 0.067(3) Uani 0.25 1 d . U P H 2
F5B F 0.3255(18) 0.2918(10) 0.4721(13) 0.088(6) Uani 0.25 1 d . U P H 2
F6B F 0.4380(16) 0.2683(9) 0.4710(12) 0.082(4) Uani 0.25 1 d . U P H 2
F4B F 0.4346(14) 0.2873(8) 0.5713(10) 0.086(5) Uani 0.25 1 d . U P H 2
C30B C 0.348(2) 0.1969(15) 0.5849(16) 0.067(3) Uani 0.25 1 d . U P H 2
F3B F 0.2889(19) 0.2358(12) 0.5813(13) 0.081(5) Uani 0.25 1 d . U P H 2
F1B F 0.4069(16) 0.1984(11) 0.6493(10) 0.088(4) Uani 0.25 1 d . U P H 2
F2B F 0.2935(15) 0.1516(9) 0.5828(10) 0.090(4) Uani 0.25 1 d . U P H 2
O10B O 0.2783(12) 0.0643(7) 0.4155(8) 0.036(3) Uani 0.25 1 d . . P H 2
C33B C 0.2777(17) 0.0057(17) 0.4162(15) 0.055(4) Uani 0.25 1 d D U P H 2
C36B C 0.217(2) -0.0124(13) 0.3348(15) 0.068(3) Uani 0.25 1 d D U P H 2
F18B F 0.1461(12) 0.0194(7) 0.3054(9) 0.070(4) Uani 0.25 1 d . U P H 2
F16B F 0.1908(15) -0.0677(9) 0.3311(13) 0.087(4) Uani 0.25 1 d . U P H 2
F17B F 0.2435(17) -0.0168(13) 0.2883(16) 0.080(5) Uani 0.25 1 d . U P H 2
C35B C 0.368(2) -0.0190(13) 0.4296(18) 0.064(3) Uani 0.25 1 d D U P H 2
F14B F 0.4119(12) -0.0180(9) 0.5036(10) 0.072(4) Uani 0.25 1 d . U P H 2
F15B F 0.4084(11) 0.0141(8) 0.3951(10) 0.065(3) Uani 0.25 1 d . U P H 2
F13B F 0.3634(13) -0.0737(8) 0.4069(10) 0.072(4) Uani 0.25 1 d . U P H 2
C34B C 0.2332(12) -0.0197(8) 0.4679(12) 0.062(3) Uani 0.25 1 d D U P H 2
F11B F 0.2654(14) 0.0111(7) 0.5313(9) 0.066(3) Uani 0.25 1 d D U P H 2
F12B F 0.2564(17) -0.0741(8) 0.4876(14) 0.073(4) Uani 0.25 1 d D U P H 2
F10B F 0.1479(11) -0.0146(7) 0.4400(11) 0.071(4) Uani 0.25 1 d D U P H 2
C4B C 0.6733(14) 0.4159(10) 0.8118(11) 0.044(3) Uani 0.25 1 d D U P G 2
H4B H 0.733299 0.431576 0.835098 0.053 Uiso 0.25 1 calc R U P G 2
C5B C 0.5978(10) 0.4242(9) 0.8341(10) 0.047(3) Uani 0.25 1 d D U P G 2
H5B H 0.598279 0.449497 0.873466 0.057 Uiso 0.25 1 calc R U P G 2
C3B C 0.6390(11) 0.3715(9) 0.7534(10) 0.047(3) Uani 0.25 1 d D U P G 2
H3B H 0.672261 0.354512 0.727657 0.057 Uiso 0.25 1 calc R U P G 2
C6B C 0.430(2) 0.4242(12) 0.6496(17) 0.032(5) Uani 0.25 1 d . U P G 2
O1B O 0.3619(10) 0.4044(7) 0.6150(8) 0.045(3) Uani 0.25 1 d . U P G 2
C38C C 0.0176(13) 0.0580(15) 0.4103(11) 0.068(3) Uani 0.3 1 d D U P J 3
F20C F 0.0728(10) 0.0212(7) 0.4554(11) 0.077(3) Uani 0.3 1 d D U P J 3
F21C F 0.0114(11) 0.0470(7) 0.3423(10) 0.083(4) Uani 0.3 1 d D U P J 3
F19C F -0.0578(10) 0.0510(7) 0.4162(10) 0.074(3) Uani 0.3 1 d D U P J 3
C40C C 0.0856(11) 0.1233(8) 0.5198(15) 0.067(3) Uani 0.3 1 d D U P K 3
F26C F 0.1629(9) 0.1025(8) 0.5494(8) 0.083(4) Uani 0.3 1 d D U P K 3
F27C F 0.0374(9) 0.0989(8) 0.5496(8) 0.080(3) Uani 0.3 1 d D U P K 3
F25C F 0.0933(13) 0.1762(8) 0.5418(13) 0.073(5) Uani 0.3 1 d D U P K 3
C44C C 0.1521(11) 0.2361(10) 0.2347(11) 0.056(3) Uani 0.32 1 d D U P L 3
F36C F 0.1697(12) 0.2647(9) 0.2959(13) 0.061(4) Uani 0.32 1 d D U P L 3
F34C F 0.0689(9) 0.2332(7) 0.2009(10) 0.063(4) Uani 0.32 1 d D U P L 3
F35C F 0.1793(9) 0.2718(6) 0.1954(7) 0.066(3) Uani 0.32 1 d D U P L 3
C43C C 0.2378(13) 0.1452(10) 0.2041(10) 0.044(2) Uani 0.32 1 d . U P M 3
F32C F 0.2494(10) 0.0888(8) 0.1993(11) 0.052(3) Uani 0.32 1 d . U P M 3
F33C F 0.3140(14) 0.1721(6) 0.2424(14) 0.043(3) Uani 0.32 1 d . U P M 3
F31C F 0.2082(18) 0.1606(8) 0.1347(13) 0.051(4) Uani 0.32 1 d . U P M 3
C42C C 0.0965(18) 0.1094(12) 0.2163(16) 0.047(3) Uani 0.32 1 d . U P N 3
F29C F 0.1234(8) 0.0578(5) 0.2411(7) 0.045(3) Uani 0.32 1 d . U P N 3
F30C F 0.074(3) 0.1069(12) 0.143(3) 0.047(5) Uani 0.32 1 d . U P N 3
F28C F 0.0312(6) 0.1255(5) 0.2353(5) 0.046(2) Uani 0.32 1 d . U P N 3
C48B C 0.0235(12) 0.3542(8) 0.3236(10) 0.065(3) Uani 0.45 1 d D U P I 2
H48B H 0.016644 0.313881 0.312742 0.078 Uiso 0.45 1 calc R U P I 2
C50B C 0.0159(14) 0.4544(8) 0.2862(13) 0.085(4) Uani 0.45 1 d D U P I 2
H50B H 0.004201 0.483379 0.248514 0.102 Uiso 0.45 1 calc R U P I 2
C49B C -0.0068(14) 0.3969(7) 0.2685(13) 0.079(4) Uani 0.45 1 d D U P I 2
H49B H -0.043073 0.386658 0.218773 0.094 Uiso 0.45 1 calc R U P I 2
C51B C 0.0561(15) 0.4672(11) 0.3612(10) 0.082(4) Uani 0.45 1 d D U P I 2
H51B H 0.068660 0.507176 0.371084 0.098 Uiso 0.45 1 calc R U P I 2
C47B C 0.0655(12) 0.3762(6) 0.3972(11) 0.063(3) Uani 0.45 1 d D U P I 2
H47B H 0.086423 0.347283 0.434847 0.076 Uiso 0.45 1 calc R U P I 2
C45B C 0.1283(19) 0.4530(12) 0.5036(10) 0.068(6) Uani 0.45 1 d D U P I 2
H45D H 0.086707 0.469627 0.523289 0.102 Uiso 0.45 1 calc R U P I 2
H45E H 0.171079 0.482461 0.504542 0.102 Uiso 0.45 1 calc R U P I 2
H45F H 0.157473 0.419945 0.534649 0.102 Uiso 0.45 1 calc R U P I 2
C41B C 0.1908(15) 0.1639(13) 0.2525(10) 0.053(2) Uani 0.27 1 d D U P H 2
P3 P 0.3751(19) 0.6575(12) 0.570(2) 0.0240(18) Uani 0.19 1 d . U P A 2
P4 P 0.275(2) 0.6138(15) 0.489(2) 0.025(2) Uani 0.19 1 d . U P A 2


_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
Mo1 Mo2 3.0636(5) . ?
Mo1 P1 2.5001(11) . ?
Mo1 P2 2.4563(10) . ?
Mo1 C7 2.006(6) . ?
Mo1 C1 2.284(5) . ?
Mo1 C2 2.300(6) . ?
Mo1 C4A 2.317(9) . ?
Mo1 C6A 2.045(8) . ?
Mo1 C5A 2.279(6) . ?
Mo1 C3A 2.292(7) . ?
Mo1 C4B 2.34(2) . ?
Mo1 C5B 2.261(18) . ?
Mo1 C3B 2.30(2) . ?
Mo1 C6B 2.09(3) . ?
Mo4 Mo3 3.0699(5) . ?
Mo4 As1 2.633(3) . ?
Mo4 As2 2.555(3) . ?
Mo4 C27 1.981(5) . ?
Mo4 C25 2.299(5) . ?
Mo4 C28 1.988(6) . ?
Mo4 C26 2.288(5) . ?
Mo4 C22 2.334(5) . ?
Mo4 C24 2.340(6) . ?
Mo4 C23 2.365(5) . ?
Mo4 P3 2.62(3) . ?
Mo4 P4 2.38(4) . ?
Mo3 As1 2.564(3) . ?
Mo3 As2 2.618(4) . ?
Mo3 C20 1.979(5) . ?
Mo3 C21 2.003(6) . ?
Mo3 C15 2.351(6) . ?
Mo3 C17 2.292(5) . ?
Mo3 C18 2.315(5) . ?
Mo3 C16 2.310(5) . ?
Mo3 C19 2.377(5) . ?
Mo3 P3 2.40(3) . ?
Mo3 P4 2.67(4) . ?
Mo2 P1 2.4710(13) . ?
Mo2 P2 2.5056(13) . ?
Mo2 C13 1.991(5) . ?
Mo2 C14 2.013(6) . ?
Mo2 C11 2.278(6) . ?
Mo2 C9 2.361(5) . ?
Mo2 C8 2.351(5) . ?
Mo2 C12 2.300(6) . ?
Mo2 C10 2.305(6) . ?
As1 As2 2.395(4) . ?
As1 Cu1 2.462(3) . ?
As2 Cu1 2.466(4) . ?
Cu1 P1 2.2591(13) . ?
Cu1 P2 2.2727(12) 3_666 ?
Cu1 P3 2.37(3) . ?
Cu1 P4 2.42(4) . ?
P1 P2 2.0905(16) . ?
Al1 O12A 1.697(5) . ?
Al1 O11A 1.739(7) . ?
Al1 O10A 1.780(5) . ?
Al1 O9A 1.717(5) . ?
Al1 O12B 1.770(15) . ?
Al1 O11B 1.62(2) . ?
Al1 O9B 1.858(16) . ?
Al1 O10B 1.613(14) . ?
O5 C20 1.147(7) . ?
O7 C27 1.144(6) . ?
O3 C13 1.141(7) . ?
O6 C21 1.131(7) . ?
O8 C28 1.142(7) . ?
O4 C14 1.144(7) . ?
O2 C7 1.138(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.416(9) . ?
C25 C24 1.420(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.412(9) . ?
C15 C19 1.422(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.416(9) . ?
C17 C16 1.415(9) . ?
C26 H26 0.9500 . ?
C26 C22 1.420(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.417(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.420(11) . ?
C11 C10 1.391(12) . ?
C1 H1A 1.0000 . ?
C1 H1B 1.0000 . ?
C1 C2 1.433(8) . ?
C1 C5A 1.484(10) . ?
C1 C5B 1.510(15) . ?
C16 H16 0.9500 . ?
O1A C6A 1.119(9) . ?
C9 H9 0.9500 . ?
C9 C8 1.415(9) . ?
C9 C10 1.412(10) . ?
C2 H2A 1.0000 . ?
C2 H2B 1.0000 . ?
C2 C3A 1.489(10) . ?
C2 C3B 1.471(15) . ?
C8 H8 0.9500 . ?
C8 C12 1.391(10) . ?
C12 H12 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.402(9) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.434(12) . ?
C4A C3A 1.394(14) . ?
C24 H24 0.9500 . ?
C24 C23 1.416(9) . ?
C19 H19 0.9500 . ?
C10 H10 0.9500 . ?
C5A H5A 0.9500 . ?
C23 H23 0.9500 . ?
C3A H3A 0.9500 . ?
O12A C41A 1.348(10) . ?
C41A C44A 1.494(14) . ?
C41A C43A 1.536(14) . ?
C41A C42A 1.502(15) . ?
C44A F35A 1.36(2) . ?
C44A F36A 1.36(2) . ?
C44A F34A 1.35(3) . ?
C43A F32A 1.28(3) . ?
C43A F33A 1.39(3) . ?
C43A F31A 1.36(3) . ?
C42A F30A 1.27(2) . ?
C42A F28A 1.44(4) . ?
C42A F29A 1.34(2) . ?
O11A C37A 1.343(13) . ?
C37A C39A 1.522(12) . ?
C37A C38A 1.526(14) . ?
C37A C40A 1.572(15) . ?
C39A F24A 1.286(12) . ?
C39A F22A 1.340(9) . ?
C39A F23A 1.336(13) . ?
C38A F20A 1.30(2) . ?
C38A F21A 1.35(2) . ?
C38A F19A 1.353(17) . ?
C40A F27A 1.346(13) . ?
C40A F25A 1.350(12) . ?
C40A F26A 1.370(14) . ?
O10A C33A 1.348(11) . ?
C33A C34A 1.562(11) . ?
C33A C36A 1.544(9) . ?
C33A C35A 1.571(10) . ?
C34A F11A 1.305(11) . ?
C34A F12A 1.348(10) . ?
C34A F10A 1.316(10) . ?
C36A F17A 1.327(11) . ?
C36A F18A 1.288(14) . ?
C36A F16A 1.333(11) . ?
C35A F14A 1.314(10) . ?
C35A F15A 1.333(10) . ?
C35A F13A 1.319(10) . ?
O9A C29 1.359(8) . ?
C32A F9A 1.325(9) . ?
C32A F7A 1.334(9) . ?
C32A F8A 1.335(10) . ?
C32A C29 1.515(10) . ?
C31A F4A 1.334(10) . ?
C31A F5A 1.268(11) . ?
C31A F6A 1.322(10) . ?
C31A C29 1.589(10) . ?
C30A F2A 1.316(11) . ?
C30A F3A 1.347(12) . ?
C30A F1A 1.309(12) . ?
C30A C29 1.554(12) . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C45A C46 1.496(17) . ?
C46 C47A 1.364(12) . ?
C46 C51A 1.369(13) . ?
C46 C51B 1.373(14) . ?
C46 C47B 1.404(13) . ?
C46 C45B 1.495(17) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.381(13) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.413(13) . ?
C49A H49A 0.9500 . ?
C49A C50A 1.408(14) . ?
C50A H50A 0.9500 . ?
C50A C51A 1.373(14) . ?
C51A H51A 0.9500 . ?
O12B C41B 1.260(16) . ?
C44B F36B 1.287(17) . ?
C44B F34B 1.314(17) . ?
C44B F35B 1.287(16) . ?
C44B C41B 1.484(17) . ?
C43B F32B 1.36(3) . ?
C43B F33B 1.44(3) . ?
C43B F31B 1.34(3) . ?
C43B C41B 1.570(16) . ?
C42B F29B 1.37(4) . ?
C42B F30B 1.25(3) . ?
C42B F28B 1.34(3) . ?
C42B C41B 1.471(15) . ?
O11B C37B 1.31(5) . ?
C37B C39B 1.545(18) . ?
C37B C38B 1.531(17) . ?
C37B C40B 1.554(18) . ?
C39B F24B 1.34(2) . ?
C39B F22B 1.34(2) . ?
C39B F23B 1.33(2) . ?
C38B F20B 1.37(2) . ?
C38B F21B 1.38(2) . ?
C38B F19B 1.374(19) . ?
C40B F27B 1.29(2) . ?
C40B F25B 1.28(2) . ?
C40B F26B 1.29(2) . ?
O9B C29 1.220(16) . ?
C29 C32B 1.55(4) . ?
C29 C31B 1.61(3) . ?
C29 C30B 1.62(3) . ?
C32B F9B 1.37(2) . ?
C32B F7B 1.35(2) . ?
C32B F8B 1.36(2) . ?
C31B F5B 1.14(4) . ?
C31B F6B 1.30(4) . ?
C31B F4B 1.30(4) . ?
C30B F3B 1.31(4) . ?
C30B F1B 1.26(4) . ?
C30B F2B 1.37(4) . ?
O10B C33B 1.35(4) . ?
C33B C36B 1.572(17) . ?
C33B C35B 1.541(16) . ?
C33B C34B 1.554(17) . ?
C36B F18B 1.32(3) . ?
C36B F16B 1.34(4) . ?
C36B F17B 1.14(4) . ?
C35B F14B 1.33(4) . ?
C35B F15B 1.34(3) . ?
C35B F13B 1.33(4) . ?
C34B F11B 1.335(18) . ?
C34B F12B 1.329(18) . ?
C34B F10B 1.325(18) . ?
C4B H4B 1.0000 . ?
C4B C5B 1.482(17) . ?
C4B C3B 1.467(17) . ?
C5B H5B 0.9500 . ?
C3B H3B 0.9500 . ?
C6B O1B 1.18(4) . ?
C38C F20C 1.316(19) . ?
C38C F21C 1.293(19) . ?
C38C F19C 1.313(18) . ?
C40C F26C 1.292(18) . ?
C40C F27C 1.275(17) . ?
C40C F25C 1.282(18) . ?
C44C F36C 1.281(17) . ?
C44C F34C 1.297(16) . ?
C44C F35C 1.306(16) . ?
C43C F32C 1.33(3) . ?
C43C F33C 1.36(3) . ?
C43C F31C 1.28(3) . ?
C42C F29C 1.30(3) . ?
C42C F30C 1.31(5) . ?
C42C F28C 1.32(3) . ?
C48B H48B 0.9500 . ?
C48B C49B 1.397(14) . ?
C48B C47B 1.417(14) . ?
C50B H50B 0.9500 . ?
C50B C49B 1.386(14) . ?
C50B C51B 1.374(14) . ?
C49B H49B 0.9500 . ?
C51B H51B 0.9500 . ?
C47B H47B 0.9500 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
P3 P4 2.08(5) . ?

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 Mo1 Mo2 51.53(3) . . ?
P2 Mo1 Mo2 52.60(3) . . ?
P2 Mo1 P1 49.88(4) . . ?
C7 Mo1 Mo2 84.50(17) . . ?
C7 Mo1 P1 76.53(17) . . ?
C7 Mo1 P2 124.26(16) . . ?
C7 Mo1 C1 95.2(2) . . ?
C7 Mo1 C2 131.6(2) . . ?
C7 Mo1 C4A 103.6(3) . . ?
C7 Mo1 C6A 93.8(3) . . ?
C7 Mo1 C5A 80.0(3) . . ?
C7 Mo1 C3A 137.9(3) . . ?
C7 Mo1 C4B 101.1(5) . . ?
C7 Mo1 C5B 79.1(6) . . ?
C7 Mo1 C3B 136.4(5) . . ?
C7 Mo1 C6B 100.5(10) . . ?
C1 Mo1 Mo2 153.30(17) . . ?
C1 Mo1 P1 154.10(18) . . ?
C1 Mo1 P2 139.52(15) . . ?
C1 Mo1 C2 36.4(2) . . ?
C1 Mo1 C4A 62.3(3) . . ?
C1 Mo1 C3A 61.9(2) . . ?
C1 Mo1 C4B 65.5(6) . . ?
C1 Mo1 C3B 61.5(5) . . ?
C2 Mo1 Mo2 136.28(17) . . ?
C2 Mo1 P1 144.98(16) . . ?
C2 Mo1 P2 103.71(16) . . ?
C2 Mo1 C4A 61.4(3) . . ?
C2 Mo1 C4B 64.1(6) . . ?
C2 Mo1 C3B 37.3(4) . . ?
C4A Mo1 Mo2 143.7(2) . . ?
C4A Mo1 P1 95.4(2) . . ?
C4A Mo1 P2 96.3(2) . . ?
C6A Mo1 Mo2 70.1(2) . . ?
C6A Mo1 P1 121.2(2) . . ?
C6A Mo1 P2 101.00(19) . . ?
C6A Mo1 C1 83.3(3) . . ?
C6A Mo1 C2 82.1(3) . . ?
C6A Mo1 C4A 142.4(4) . . ?
C6A Mo1 C5A 118.8(3) . . ?
C6A Mo1 C3A 115.9(3) . . ?
C5A Mo1 Mo2 162.50(19) . . ?
C5A Mo1 P1 116.16(19) . . ?
C5A Mo1 P2 132.65(17) . . ?
C5A Mo1 C1 38.0(3) . . ?
C5A Mo1 C2 61.2(3) . . ?
C5A Mo1 C4A 36.4(3) . . ?
C5A Mo1 C3A 60.0(3) . . ?
C3A Mo1 Mo2 132.20(17) . . ?
C3A Mo1 P1 108.20(18) . . ?
C3A Mo1 P2 80.75(17) . . ?
C3A Mo1 C2 37.8(3) . . ?
C3A Mo1 C4A 35.2(3) . . ?
C4B Mo1 Mo2 88.3(6) . . ?
C4B Mo1 P1 139.8(6) . . ?
C4B Mo1 P2 109.9(5) . . ?
C5B Mo1 Mo2 115.9(4) . . ?
C5B Mo1 P1 153.4(5) . . ?
C5B Mo1 P2 146.9(5) . . ?
C5B Mo1 C1 38.8(4) . . ?
C5B Mo1 C2 61.4(5) . . ?
C5B Mo1 C4B 37.6(4) . . ?
C5B Mo1 C3B 59.5(8) . . ?
C3B Mo1 Mo2 100.8(4) . . ?
C3B Mo1 P1 139.4(5) . . ?
C3B Mo1 P2 90.3(5) . . ?
C3B Mo1 C4B 36.9(4) . . ?
C6B Mo1 Mo2 131.8(7) . . ?
C6B Mo1 P1 82.7(7) . . ?
C6B Mo1 P2 88.2(8) . . ?
C6B Mo1 C1 74.6(7) . . ?
C6B Mo1 C2 72.7(8) . . ?
C6B Mo1 C4B 135.9(9) . . ?
C6B Mo1 C5B 112.1(8) . . ?
C6B Mo1 C3B 106.9(9) . . ?
As1 Mo4 Mo3 52.76(7) . . ?
As2 Mo4 Mo3 54.55(8) . . ?
As2 Mo4 As1 54.97(9) . . ?
C27 Mo4 Mo3 129.06(14) . . ?
C27 Mo4 As1 78.16(16) . . ?
C27 Mo4 As2 88.37(17) . . ?
C27 Mo4 C25 82.1(2) . . ?
C27 Mo4 C28 89.7(2) . . ?
C27 Mo4 C26 86.1(2) . . ?
C27 Mo4 C22 120.1(2) . . ?
C27 Mo4 C24 112.9(2) . . ?
C27 Mo4 C23 140.1(2) . . ?
C27 Mo4 P3 80.8(8) . . ?
C27 Mo4 P4 84.8(10) . . ?
C25 Mo4 Mo3 133.75(16) . . ?
C25 Mo4 As1 149.65(17) . . ?
C25 Mo4 As2 101.94(18) . . ?
C25 Mo4 C22 59.5(2) . . ?
C25 Mo4 C24 35.6(2) . . ?
C25 Mo4 C23 58.6(2) . . ?
C25 Mo4 P3 147.3(7) . . ?
C25 Mo4 P4 102.0(9) . . ?
C28 Mo4 Mo3 87.67(16) . . ?
C28 Mo4 As1 72.25(16) . . ?
C28 Mo4 As2 126.38(17) . . ?
C28 Mo4 C25 130.8(2) . . ?
C28 Mo4 C26 95.3(2) . . ?
C28 Mo4 C22 84.6(2) . . ?
C28 Mo4 C24 142.9(2) . . ?
C28 Mo4 C23 109.8(2) . . ?
C28 Mo4 P3 76.8(6) . . ?
C28 Mo4 P4 125.6(9) . . ?
C26 Mo4 Mo3 144.74(14) . . ?
C26 Mo4 As1 159.85(17) . . ?
C26 Mo4 As2 137.89(18) . . ?
C26 Mo4 C25 36.0(2) . . ?
C26 Mo4 C22 35.77(19) . . ?
C26 Mo4 C24 59.4(2) . . ?
C26 Mo4 C23 58.5(2) . . ?
C26 Mo4 P3 164.7(7) . . ?
C26 Mo4 P4 137.9(9) . . ?
C22 Mo4 Mo3 110.28(14) . . ?
C22 Mo4 As1 150.85(17) . . ?
C22 Mo4 As2 139.78(18) . . ?
C22 Mo4 C24 58.9(2) . . ?
C22 Mo4 C23 34.7(2) . . ?
C22 Mo4 P3 152.1(8) . . ?
C22 Mo4 P4 142.8(9) . . ?
C24 Mo4 Mo3 98.60(16) . . ?
C24 Mo4 As1 138.90(17) . . ?
C24 Mo4 As2 84.98(18) . . ?
C24 Mo4 C23 35.0(2) . . ?
C24 Mo4 P3 133.6(6) . . ?
C24 Mo4 P4 86.9(9) . . ?
C23 Mo4 Mo3 87.41(14) . . ?
C23 Mo4 As1 140.16(16) . . ?
C23 Mo4 As2 105.22(19) . . ?
C23 Mo4 P3 136.4(7) . . ?
C23 Mo4 P4 108.4(9) . . ?
P3 Mo4 Mo3 49.2(8) . . ?
P4 Mo4 Mo3 57.0(10) . . ?
P4 Mo4 P3 48.9(11) . . ?
As1 Mo3 Mo4 54.84(7) . . ?
As1 Mo3 As2 55.05(9) . . ?
As2 Mo3 Mo4 52.67(6) . . ?
C20 Mo3 Mo4 127.24(13) . . ?
C20 Mo3 As1 90.90(15) . . ?
C20 Mo3 As2 75.22(14) . . ?
C20 Mo3 C21 87.7(2) . . ?
C20 Mo3 C15 113.2(2) . . ?
C20 Mo3 C17 88.0(2) . . ?
C20 Mo3 C18 122.1(2) . . ?
C20 Mo3 C16 83.5(2) . . ?
C20 Mo3 C19 141.8(2) . . ?
C20 Mo3 P3 87.5(7) . . ?
C20 Mo3 P4 79.1(7) . . ?
C21 Mo3 Mo4 84.88(15) . . ?
C21 Mo3 As1 126.45(15) . . ?
C21 Mo3 As2 73.05(15) . . ?
C21 Mo3 C15 143.3(2) . . ?
C21 Mo3 C17 93.7(2) . . ?
C21 Mo3 C18 84.8(2) . . ?
C21 Mo3 C16 128.7(2) . . ?
C21 Mo3 C19 111.4(2) . . ?
C21 Mo3 P3 123.6(8) . . ?
C21 Mo3 P4 75.9(8) . . ?
C15 Mo3 Mo4 103.05(16) . . ?
C15 Mo3 As1 84.79(16) . . ?
C15 Mo3 As2 139.62(17) . . ?
C15 Mo3 C19 35.0(2) . . ?
C15 Mo3 P3 88.6(8) . . ?
C15 Mo3 P4 135.5(7) . . ?
C17 Mo3 Mo4 144.52(15) . . ?
C17 Mo3 As1 139.81(19) . . ?
C17 Mo3 As2 158.75(17) . . ?
C17 Mo3 C15 59.2(2) . . ?
C17 Mo3 C18 35.8(2) . . ?
C17 Mo3 C16 35.8(2) . . ?
C17 Mo3 C19 59.1(2) . . ?
C17 Mo3 P3 142.2(8) . . ?
C17 Mo3 P4 163.6(7) . . ?
C18 Mo3 Mo4 109.06(15) . . ?
C18 Mo3 As1 137.16(18) . . ?
C18 Mo3 As2 151.70(17) . . ?
C18 Mo3 C15 58.6(2) . . ?
C18 Mo3 C19 35.1(2) . . ?
C18 Mo3 P3 141.5(7) . . ?
C18 Mo3 P4 150.9(8) . . ?
C16 Mo3 Mo4 138.16(17) . . ?
C16 Mo3 As1 104.17(18) . . ?
C16 Mo3 As2 149.19(17) . . ?
C16 Mo3 C15 35.2(2) . . ?
C16 Mo3 C18 59.1(2) . . ?
C16 Mo3 C19 58.6(2) . . ?
C16 Mo3 P3 106.4(8) . . ?
C16 Mo3 P4 149.2(8) . . ?
C19 Mo3 Mo4 88.41(15) . . ?
C19 Mo3 As1 102.04(17) . . ?
C19 Mo3 As2 140.88(16) . . ?
C19 Mo3 P3 106.3(7) . . ?
C19 Mo3 P4 136.4(7) . . ?
P3 Mo3 Mo4 55.6(8) . . ?
P3 Mo3 P4 48.1(11) . . ?
P4 Mo3 Mo4 48.5(7) . . ?
P1 Mo2 Mo1 52.38(3) . . ?
P1 Mo2 P2 49.67(4) . . ?
P2 Mo2 Mo1 51.15(2) . . ?
C13 Mo2 Mo1 128.38(16) . . ?
C13 Mo2 P1 88.23(17) . . ?
C13 Mo2 P2 78.60(16) . . ?
C13 Mo2 C14 88.3(2) . . ?
C13 Mo2 C11 84.6(2) . . ?
C13 Mo2 C9 111.5(2) . . ?
C13 Mo2 C8 138.6(2) . . ?
C13 Mo2 C12 118.9(3) . . ?
C13 Mo2 C10 81.1(2) . . ?
C14 Mo2 Mo1 89.85(17) . . ?
C14 Mo2 P1 124.89(17) . . ?
C14 Mo2 P2 75.80(17) . . ?
C14 Mo2 C11 94.3(3) . . ?
C14 Mo2 C9 143.2(2) . . ?
C14 Mo2 C8 110.9(2) . . ?
C14 Mo2 C12 84.5(3) . . ?
C14 Mo2 C10 129.0(3) . . ?
C11 Mo2 Mo1 146.94(17) . . ?
C11 Mo2 P1 139.9(2) . . ?
C11 Mo2 P2 160.62(17) . . ?
C11 Mo2 C9 59.0(3) . . ?
C11 Mo2 C8 58.6(2) . . ?
C11 Mo2 C12 36.1(3) . . ?
C11 Mo2 C10 35.3(3) . . ?
C9 Mo2 Mo1 100.04(18) . . ?
C9 Mo2 P1 87.76(19) . . ?
C9 Mo2 P2 136.79(19) . . ?
C8 Mo2 Mo1 89.34(17) . . ?
C8 Mo2 P1 107.37(18) . . ?
C8 Mo2 P2 140.41(17) . . ?
C8 Mo2 C9 35.0(2) . . ?
C12 Mo2 Mo1 112.2(2) . . ?
C12 Mo2 P1 142.08(18) . . ?
C12 Mo2 P2 153.5(2) . . ?
C12 Mo2 C9 58.8(3) . . ?
C12 Mo2 C8 34.8(2) . . ?
C12 Mo2 C10 59.1(3) . . ?
C10 Mo2 Mo1 134.65(19) . . ?
C10 Mo2 P1 104.6(2) . . ?
C10 Mo2 P2 147.3(2) . . ?
C10 Mo2 C9 35.2(2) . . ?
C10 Mo2 C8 58.1(2) . . ?
Mo3 As1 Mo4 72.40(7) . . ?
As2 As1 Mo4 60.87(11) . . ?
As2 As1 Mo3 63.63(11) . . ?
As2 As1 Cu1 61.00(12) . . ?
Cu1 As1 Mo4 109.11(11) . . ?
Cu1 As1 Mo3 111.98(8) . . ?
Mo4 As2 Mo3 72.78(9) . . ?
As1 As2 Mo4 64.16(11) . . ?
As1 As2 Mo3 61.32(13) . . ?
As1 As2 Cu1 60.83(12) . . ?
Cu1 As2 Mo4 111.54(11) . . ?
Cu1 As2 Mo3 110.04(13) . . ?
As1 Cu1 As2 58.16(10) . . ?
P1 Cu1 As1 107.83(8) . . ?
P1 Cu1 As2 134.42(8) . . ?
P1 Cu1 P2 111.29(5) . 3_666 ?
P1 Cu1 P3 108.4(8) . . ?
P1 Cu1 P4 138.6(9) . . ?
P2 Cu1 As1 136.50(9) 3_666 . ?
P2 Cu1 As2 103.38(9) 3_666 . ?
P2 Cu1 P3 138.1(9) 3_666 . ?
P2 Cu1 P4 102.2(10) 3_666 . ?
P3 Cu1 P4 51.5(12) . . ?
Mo2 P1 Mo1 76.09(4) . . ?
Cu1 P1 Mo1 148.26(6) . . ?
Cu1 P1 Mo2 135.51(5) . . ?
P2 P1 Mo1 63.97(4) . . ?
P2 P1 Mo2 66.02(5) . . ?
P2 P1 Cu1 124.90(6) . . ?
Mo1 P2 Mo2 76.25(3) . . ?
Cu1 P2 Mo1 158.08(6) 3_666 . ?
Cu1 P2 Mo2 125.49(5) 3_666 . ?
P1 P2 Mo1 66.15(4) . . ?
P1 P2 Mo2 64.31(5) . . ?
P1 P2 Cu1 122.76(6) . 3_666 ?
O12A Al1 O11A 109.8(3) . . ?
O12A Al1 O10A 112.8(3) . . ?
O12A Al1 O9A 109.5(3) . . ?
O11A Al1 O10A 104.3(3) . . ?
O9A Al1 O11A 113.7(3) . . ?
O9A Al1 O10A 106.6(3) . . ?
O12B Al1 O9B 96.7(8) . . ?
O11B Al1 O12B 106.1(10) . . ?
O11B Al1 O9B 112.9(10) . . ?
O10B Al1 O12B 114.0(7) . . ?
O10B Al1 O11B 117.5(11) . . ?
O10B Al1 O9B 107.8(9) . . ?
O5 C20 Mo3 177.2(4) . . ?
O7 C27 Mo4 174.4(4) . . ?
O3 C13 Mo2 176.9(5) . . ?
O4 C14 Mo2 177.6(5) . . ?
O6 C21 Mo3 176.3(4) . . ?
Mo4 C25 H25 120.4 . . ?
C26 C25 Mo4 71.6(3) . . ?
C26 C25 H25 126.1 . . ?
C26 C25 C24 107.9(5) . . ?
C24 C25 Mo4 73.8(3) . . ?
C24 C25 H25 126.1 . . ?
Mo3 C15 H15 121.5 . . ?
C16 C15 Mo3 70.8(3) . . ?
C16 C15 H15 125.9 . . ?
C16 C15 C19 108.2(6) . . ?
C19 C15 Mo3 73.5(3) . . ?
C19 C15 H15 125.9 . . ?
Mo3 C17 H17 119.8 . . ?
C18 C17 Mo3 73.0(3) . . ?
C18 C17 H17 126.3 . . ?
C16 C17 Mo3 72.8(3) . . ?
C16 C17 H17 126.3 . . ?
C16 C17 C18 107.4(6) . . ?
O8 C28 Mo4 175.8(5) . . ?
Mo4 C26 H26 119.7 . . ?
C25 C26 Mo4 72.4(3) . . ?
C25 C26 H26 125.9 . . ?
C25 C26 C22 108.3(5) . . ?
C22 C26 Mo4 73.9(3) . . ?
C22 C26 H26 125.9 . . ?
O2 C7 Mo1 174.2(6) . . ?
Mo3 C18 H18 120.1 . . ?
C17 C18 Mo3 71.2(3) . . ?
C17 C18 H18 125.6 . . ?
C17 C18 C19 108.8(6) . . ?
C19 C18 Mo3 74.8(3) . . ?
C19 C18 H18 125.6 . . ?
Mo2 C11 H11 119.6 . . ?
C12 C11 Mo2 72.8(4) . . ?
C12 C11 H11 126.1 . . ?
C10 C11 Mo2 73.4(4) . . ?
C10 C11 H11 126.1 . . ?
C10 C11 C12 107.7(6) . . ?
Mo1 C1 H1A 126.8 . . ?
Mo1 C1 H1B 127.5 . . ?
C2 C1 Mo1 72.4(3) . . ?
C2 C1 H1A 126.8 . . ?
C2 C1 H1B 127.5 . . ?
C2 C1 C5A 106.1(5) . . ?
C2 C1 C5B 104.6(9) . . ?
C5A C1 Mo1 70.9(3) . . ?
C5A C1 H1A 126.8 . . ?
C5B C1 Mo1 69.8(7) . . ?
C5B C1 H1B 127.5 . . ?
Mo3 C16 H16 120.6 . . ?
C15 C16 Mo3 74.0(3) . . ?
C15 C16 C17 108.5(5) . . ?
C15 C16 H16 125.8 . . ?
C17 C16 Mo3 71.4(3) . . ?
C17 C16 H16 125.8 . . ?
Mo2 C9 H9 122.4 . . ?
C8 C9 Mo2 72.1(3) . . ?
C8 C9 H9 126.9 . . ?
C10 C9 Mo2 70.2(3) . . ?
C10 C9 H9 126.9 . . ?
C10 C9 C8 106.1(7) . . ?
Mo1 C2 H2A 126.3 . . ?
Mo1 C2 H2B 126.1 . . ?
C1 C2 Mo1 71.1(3) . . ?
C1 C2 H2A 126.3 . . ?
C1 C2 H2B 126.1 . . ?
C1 C2 C3A 107.2(6) . . ?
C1 C2 C3B 107.7(10) . . ?
C3A C2 Mo1 70.8(3) . . ?
C3A C2 H2A 126.3 . . ?
C3B C2 Mo1 71.4(8) . . ?
C3B C2 H2B 126.1 . . ?
Mo2 C8 H8 122.8 . . ?
C9 C8 Mo2 72.9(3) . . ?
C9 C8 H8 125.3 . . ?
C12 C8 Mo2 70.6(3) . . ?
C12 C8 C9 109.4(6) . . ?
C12 C8 H8 125.3 . . ?
Mo2 C12 H12 119.8 . . ?
C11 C12 Mo2 71.1(4) . . ?
C11 C12 H12 126.3 . . ?
C8 C12 Mo2 74.6(4) . . ?
C8 C12 C11 107.4(7) . . ?
C8 C12 H12 126.3 . . ?
Mo4 C22 H22 121.2 . . ?
C26 C22 Mo4 70.4(3) . . ?
C26 C22 H22 126.3 . . ?
C23 C22 Mo4 73.9(3) . . ?
C23 C22 C26 107.4(6) . . ?
C23 C22 H22 126.3 . . ?
Mo1 C4A H4A 123.7 . . ?
C5A C4A Mo1 70.4(5) . . ?
C5A C4A H4A 126.1 . . ?
C3A C4A Mo1 71.4(5) . . ?
C3A C4A H4A 126.1 . . ?
C3A C4A C5A 107.8(8) . . ?
Mo4 C24 H24 121.3 . . ?
C25 C24 Mo4 70.6(3) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 Mo4 73.5(3) . . ?
C23 C24 C25 107.2(6) . . ?
C23 C24 H24 126.4 . . ?
Mo3 C19 H19 123.7 . . ?
C15 C19 Mo3 71.5(3) . . ?
C15 C19 H19 126.4 . . ?
C18 C19 Mo3 70.0(3) . . ?
C18 C19 C15 107.2(5) . . ?
C18 C19 H19 126.4 . . ?
O1A C6A Mo1 172.8(7) . . ?
Mo2 C10 H10 120.5 . . ?
C11 C10 Mo2 71.3(4) . . ?
C11 C10 C9 109.3(6) . . ?
C11 C10 H10 125.4 . . ?
C9 C10 Mo2 74.6(3) . . ?
C9 C10 H10 125.4 . . ?
Mo1 C5A H5A 121.8 . . ?
C1 C5A Mo1 71.2(3) . . ?
C1 C5A H5A 125.3 . . ?
C4A C5A Mo1 73.3(4) . . ?
C4A C5A C1 109.3(7) . . ?
C4A C5A H5A 125.3 . . ?
Mo4 C23 H23 123.3 . . ?
C22 C23 Mo4 71.4(3) . . ?
C22 C23 C24 109.2(5) . . ?
C22 C23 H23 125.4 . . ?
C24 C23 Mo4 71.5(3) . . ?
C24 C23 H23 125.4 . . ?
Mo1 C3A H3A 121.7 . . ?
C2 C3A Mo1 71.4(3) . . ?
C2 C3A H3A 125.2 . . ?
C4A C3A Mo1 73.4(5) . . ?
C4A C3A C2 109.5(7) . . ?
C4A C3A H3A 125.2 . . ?
C41A O12A Al1 149.4(6) . . ?
O12A C41A C44A 112.1(11) . . ?
O12A C41A C43A 106.1(10) . . ?
O12A C41A C42A 106.1(11) . . ?
C44A C41A C43A 104.0(13) . . ?
C44A C41A C42A 115.8(14) . . ?
C42A C41A C43A 112.6(13) . . ?
F35A C44A C41A 108.5(15) . . ?
F36A C44A C41A 117.1(15) . . ?
F36A C44A F35A 95.0(15) . . ?
F34A C44A C41A 119.4(15) . . ?
F34A C44A F35A 94.1(17) . . ?
F34A C44A F36A 115.8(19) . . ?
F32A C43A C41A 111.8(16) . . ?
F32A C43A F33A 109.5(18) . . ?
F32A C43A F31A 110.3(18) . . ?
F33A C43A C41A 112.8(15) . . ?
F31A C43A C41A 109.3(16) . . ?
F31A C43A F33A 102.8(14) . . ?
F30A C42A C41A 115.4(17) . . ?
F30A C42A F28A 107.6(19) . . ?
F30A C42A F29A 108.1(17) . . ?
F28A C42A C41A 110.4(17) . . ?
F29A C42A C41A 109.9(13) . . ?
F29A C42A F28A 105(2) . . ?
C37A O11A Al1 152.7(6) . . ?
O11A C37A C39A 110.2(7) . . ?
O11A C37A C38A 111.3(9) . . ?
O11A C37A C40A 106.9(9) . . ?
C39A C37A C38A 117.7(11) . . ?
C39A C37A C40A 105.1(9) . . ?
C38A C37A C40A 104.9(10) . . ?
F24A C39A C37A 110.7(8) . . ?
F24A C39A F22A 108.7(8) . . ?
F24A C39A F23A 108.5(9) . . ?
F22A C39A C37A 113.4(8) . . ?
F23A C39A C37A 109.0(9) . . ?
F23A C39A F22A 106.5(8) . . ?
F20A C38A C37A 115.2(14) . . ?
F20A C38A F21A 109.9(13) . . ?
F20A C38A F19A 109.3(13) . . ?
F21A C38A C37A 106.6(12) . . ?
F21A C38A F19A 106.9(15) . . ?
F19A C38A C37A 108.6(12) . . ?
F27A C40A C37A 114.5(10) . . ?
F27A C40A F25A 104.7(10) . . ?
F27A C40A F26A 105.0(12) . . ?
F25A C40A C37A 114.8(11) . . ?
F25A C40A F26A 104.1(12) . . ?
F26A C40A C37A 112.6(10) . . ?
C33A O10A Al1 146.5(6) . . ?
O10A C33A C34A 107.8(7) . . ?
O10A C33A C36A 111.5(7) . . ?
O10A C33A C35A 111.8(7) . . ?
C34A C33A C35A 107.4(7) . . ?
C36A C33A C34A 110.1(8) . . ?
C36A C33A C35A 108.2(8) . . ?
F11A C34A C33A 111.7(7) . . ?
F11A C34A F12A 108.0(7) . . ?
F11A C34A F10A 107.9(8) . . ?
F12A C34A C33A 111.7(7) . . ?
F10A C34A C33A 111.1(7) . . ?
F10A C34A F12A 106.2(7) . . ?
F17A C36A C33A 109.5(7) . . ?
F17A C36A F16A 108.7(9) . . ?
F18A C36A C33A 113.5(10) . . ?
F18A C36A F17A 104.4(8) . . ?
F18A C36A F16A 106.9(8) . . ?
F16A C36A C33A 113.4(7) . . ?
F14A C35A C33A 111.9(7) . . ?
F14A C35A F15A 107.9(7) . . ?
F14A C35A F13A 106.8(7) . . ?
F15A C35A C33A 113.3(7) . . ?
F13A C35A C33A 109.8(7) . . ?
F13A C35A F15A 106.9(7) . . ?
C29 O9A Al1 147.1(5) . . ?
F9A C32A F7A 107.4(6) . . ?
F9A C32A F8A 107.2(6) . . ?
F9A C32A C29 110.7(7) . . ?
F7A C32A F8A 106.3(7) . . ?
F7A C32A C29 113.1(6) . . ?
F8A C32A C29 111.8(6) . . ?
F4A C31A C29 111.8(7) . . ?
F5A C31A F4A 106.8(7) . . ?
F5A C31A F6A 107.2(8) . . ?
F5A C31A C29 112.7(6) . . ?
F6A C31A F4A 106.6(6) . . ?
F6A C31A C29 111.4(7) . . ?
F2A C30A F3A 108.2(8) . . ?
F2A C30A C29 112.3(6) . . ?
F3A C30A C29 112.5(9) . . ?
F1A C30A F2A 107.3(9) . . ?
F1A C30A F3A 105.4(8) . . ?
F1A C30A C29 110.7(7) . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C46 C45A H45A 109.5 . . ?
C46 C45A H45B 109.5 . . ?
C46 C45A H45C 109.5 . . ?
C47A C46 C45A 121.1(14) . . ?
C47A C46 C51A 126.8(12) . . ?
C51A C46 C45A 111.9(15) . . ?
C51B C46 C47B 104.5(16) . . ?
C51B C46 C45B 126.6(17) . . ?
C47B C46 C45B 128.3(15) . . ?
C46 C47A H47A 121.7 . . ?
C46 C47A C48A 116.7(12) . . ?
C48A C47A H47A 121.7 . . ?
C47A C48A H48A 120.0 . . ?
C47A C48A C49A 120.0(13) . . ?
C49A C48A H48A 120.0 . . ?
C48A C49A H49A 120.4 . . ?
C50A C49A C48A 119.3(15) . . ?
C50A C49A H49A 120.4 . . ?
C49A C50A H50A 119.5 . . ?
C51A C50A C49A 121.1(17) . . ?
C51A C50A H50A 119.5 . . ?
C46 C51A C50A 116.0(17) . . ?
C46 C51A H51A 122.0 . . ?
C50A C51A H51A 122.0 . . ?
C41B O12B Al1 153.2(19) . . ?
F36B C44B F34B 99(2) . . ?
F36B C44B C41B 109.1(17) . . ?
F34B C44B C41B 98.8(16) . . ?
F35B C44B F36B 125(2) . . ?
F35B C44B F34B 108.0(19) . . ?
F35B C44B C41B 112.4(17) . . ?
F32B C43B F33B 98.5(16) . . ?
F32B C43B C41B 108(2) . . ?
F33B C43B C41B 126(2) . . ?
F31B C43B F32B 103.3(19) . . ?
F31B C43B F33B 97.1(17) . . ?
F31B C43B C41B 119.9(18) . . ?
F29B C42B C41B 98(2) . . ?
F30B C42B F29B 116(2) . . ?
F30B C42B F28B 113(2) . . ?
F30B C42B C41B 122(2) . . ?
F28B C42B F29B 108(2) . . ?
F28B C42B C41B 97.0(18) . . ?
C37B O11B Al1 157(2) . . ?
O11B C37B C39B 110(3) . . ?
O11B C37B C38B 114(3) . . ?
O11B C37B C40B 110(3) . . ?
C39B C37B C40B 98(2) . . ?
C38B C37B C39B 109(2) . . ?
C38B C37B C40B 115(3) . . ?
F24B C39B C37B 117(2) . . ?
F22B C39B C37B 119(3) . . ?
F22B C39B F24B 100.8(17) . . ?
F23B C39B C37B 111(2) . . ?
F23B C39B F24B 105.0(18) . . ?
F23B C39B F22B 103.0(18) . . ?
F20B C38B C37B 107(2) . . ?
F20B C38B F21B 114(2) . . ?
F20B C38B F19B 106(2) . . ?
F21B C38B C37B 110(2) . . ?
F19B C38B C37B 110(3) . . ?
F19B C38B F21B 111(2) . . ?
F27B C40B C37B 110(3) . . ?
F27B C40B F26B 98(3) . . ?
F25B C40B C37B 117(3) . . ?
F25B C40B F27B 107(3) . . ?
F25B C40B F26B 109(2) . . ?
F26B C40B C37B 115(2) . . ?
C29 O9B Al1 146.4(15) . . ?
O9A C29 C32A 109.7(6) . . ?
O9A C29 C31A 108.5(5) . . ?
O9A C29 C30A 109.7(6) . . ?
C32A C29 C31A 109.2(6) . . ?
C32A C29 C30A 111.6(6) . . ?
C30A C29 C31A 108.1(6) . . ?
O9B C29 C32B 118.2(11) . . ?
O9B C29 C31B 115.5(16) . . ?
O9B C29 C30B 114.8(15) . . ?
C32B C29 C31B 111.5(16) . . ?
C32B C29 C30B 96.4(16) . . ?
C31B C29 C30B 96.8(17) . . ?
F9B C32B C29 112(2) . . ?
F7B C32B C29 115(2) . . ?
F7B C32B F9B 112(3) . . ?
F7B C32B F8B 109(3) . . ?
F8B C32B C29 106(2) . . ?
F8B C32B F9B 100(2) . . ?
F5B C31B C29 110(3) . . ?
F5B C31B F6B 106(3) . . ?
F5B C31B F4B 118(4) . . ?
F6B C31B C29 104(3) . . ?
F4B C31B C29 117(2) . . ?
F4B C31B F6B 100(3) . . ?
F3B C30B C29 107(2) . . ?
F3B C30B F2B 93(3) . . ?
F1B C30B C29 126(3) . . ?
F1B C30B F3B 109(3) . . ?
F1B C30B F2B 109(3) . . ?
F2B C30B C29 108(2) . . ?
C33B O10B Al1 146.3(19) . . ?
O10B C33B C36B 105(2) . . ?
O10B C33B C35B 111(2) . . ?
O10B C33B C34B 113(2) . . ?
C35B C33B C36B 108(3) . . ?
C35B C33B C34B 115(2) . . ?
C34B C33B C36B 104(2) . . ?
F18B C36B C33B 115(2) . . ?
F18B C36B F16B 107(3) . . ?
F16B C36B C33B 113(3) . . ?
F17B C36B C33B 120(3) . . ?
F17B C36B F18B 105(3) . . ?
F17B C36B F16B 95(3) . . ?
F14B C35B C33B 107(2) . . ?
F14B C35B F15B 110(3) . . ?
F15B C35B C33B 110(2) . . ?
F13B C35B C33B 111(3) . . ?
F13B C35B F14B 108(2) . . ?
F13B C35B F15B 111(2) . . ?
F11B C34B C33B 104.7(18) . . ?
F12B C34B C33B 112(2) . . ?
F12B C34B F11B 105.5(19) . . ?
F10B C34B C33B 113.7(18) . . ?
F10B C34B F11B 109.4(19) . . ?
F10B C34B F12B 111(2) . . ?
Mo1 C4B H4B 129.6 . . ?
C5B C4B Mo1 68.4(11) . . ?
C5B C4B H4B 129.6 . . ?
C3B C4B Mo1 70.2(11) . . ?
C3B C4B H4B 129.6 . . ?
C3B C4B C5B 100.3(17) . . ?
Mo1 C5B H5B 122.8 . . ?
C1 C5B Mo1 71.4(7) . . ?
C1 C5B H5B 123.3 . . ?
C4B C5B Mo1 74.0(11) . . ?
C4B C5B C1 113.4(15) . . ?
C4B C5B H5B 123.3 . . ?
Mo1 C3B H3B 124.2 . . ?
C2 C3B Mo1 71.3(8) . . ?
C2 C3B H3B 123.1 . . ?
C4B C3B Mo1 72.9(12) . . ?
C4B C3B C2 113.9(16) . . ?
C4B C3B H3B 123.1 . . ?
O1B C6B Mo1 176(2) . . ?
F21C C38C F20C 108(2) . . ?
F21C C38C F19C 110(2) . . ?
F19C C38C F20C 108.8(19) . . ?
F27C C40C F26C 109.1(16) . . ?
F27C C40C F25C 106.1(16) . . ?
F25C C40C F26C 104.3(17) . . ?
F36C C44C F34C 109.1(18) . . ?
F36C C44C F35C 101.0(19) . . ?
F34C C44C F35C 106.1(17) . . ?
F32C C43C F33C 110.8(17) . . ?
F31C C43C F32C 102.1(18) . . ?
F31C C43C F33C 111(2) . . ?
F29C C42C F30C 106(2) . . ?
F29C C42C F28C 111(2) . . ?
F30C C42C F28C 112(3) . . ?
C49B C48B H48B 123.0 . . ?
C49B C48B C47B 113.9(17) . . ?
C47B C48B H48B 123.0 . . ?
C49B C50B H50B 121.8 . . ?
C51B C50B H50B 121.8 . . ?
C51B C50B C49B 116(2) . . ?
C48B C49B H49B 120.0 . . ?
C50B C49B C48B 120.1(19) . . ?
C50B C49B H49B 120.0 . . ?
C46 C51B C50B 132(2) . . ?
C46 C51B H51B 113.8 . . ?
C50B C51B H51B 113.8 . . ?
C46 C47B C48B 131.6(16) . . ?
C46 C47B H47B 114.2 . . ?
C48B C47B H47B 114.2 . . ?
C46 C45B H45D 109.5 . . ?
C46 C45B H45E 109.5 . . ?
C46 C45B H45F 109.5 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
O12B C41B C44B 96.6(19) . . ?
O12B C41B C43B 107.7(18) . . ?
O12B C41B C42B 136(2) . . ?
C44B C41B C43B 104.4(19) . . ?
C42B C41B C44B 99.1(19) . . ?
C42B C41B C43B 108.1(19) . . ?
Mo3 P3 Mo4 75.2(9) . . ?
Cu1 P3 Mo4 112.5(13) . . ?
Cu1 P3 Mo3 121.7(11) . . ?
P4 P3 Mo4 59.6(14) . . ?
P4 P3 Mo3 72.8(15) . . ?
P4 P3 Cu1 65.4(16) . . ?
Mo4 P4 Mo3 74.5(12) . . ?
Mo4 P4 Cu1 119.6(14) . . ?
Cu1 P4 Mo3 109.7(14) . . ?
P3 P4 Mo4 71.5(15) . . ?
P3 P4 Mo3 59.1(15) . . ?
P3 P4 Cu1 63.0(15) . . ?

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
Mo1 C1 C2 C3A -62.0(4) . . . . ?
Mo1 C1 C2 C3B 62.4(8) . . . . ?
Mo1 C1 C5A C4A 63.8(5) . . . . ?
Mo1 C1 C5B C4B -62.4(14) . . . . ?
Mo1 C2 C3A C4A -63.9(5) . . . . ?
Mo1 C2 C3B C4B 60.8(15) . . . . ?
Mo1 C4A C5A C1 -62.5(4) . . . . ?
Mo1 C4A C3A C2 62.6(5) . . . . ?
Mo1 C4B C5B C1 60.9(12) . . . . ?
Mo1 C4B C3B C2 -59.9(12) . . . . ?
Mo4 C25 C26 C22 -65.7(4) . . . . ?
Mo4 C25 C24 C23 64.9(4) . . . . ?
Mo4 C26 C22 C23 -65.1(4) . . . . ?
Mo4 C22 C23 C24 -61.9(4) . . . . ?
Mo4 C24 C23 C22 61.8(4) . . . . ?
Mo3 C15 C16 C17 -63.5(4) . . . . ?
Mo3 C15 C19 C18 61.3(4) . . . . ?
Mo3 C17 C18 C19 -65.9(4) . . . . ?
Mo3 C17 C16 C15 65.2(3) . . . . ?
Mo3 C18 C19 C15 -62.2(4) . . . . ?
Mo2 C11 C12 C8 -66.4(4) . . . . ?
Mo2 C11 C10 C9 65.4(4) . . . . ?
Mo2 C9 C8 C12 61.5(4) . . . . ?
Mo2 C9 C10 C11 -63.3(4) . . . . ?
Mo2 C8 C12 C11 64.0(4) . . . . ?
Al1 O12A C41A C44A 69.0(18) . . . . ?
Al1 O12A C41A C43A -178.2(12) . . . . ?
Al1 O12A C41A C42A -58.3(19) . . . . ?
Al1 O11A C37A C39A -171.6(11) . . . . ?
Al1 O11A C37A C38A -39(2) . . . . ?
Al1 O11A C37A C40A 74.7(17) . . . . ?
Al1 O10A C33A C34A 175.3(6) . . . . ?
Al1 O10A C33A C36A -63.8(12) . . . . ?
Al1 O10A C33A C35A 57.5(11) . . . . ?
Al1 O9A C29 C32A 177.8(6) . . . . ?
Al1 O9A C29 C31A -62.9(10) . . . . ?
Al1 O9A C29 C30A 54.9(10) . . . . ?
Al1 O12B C41B C44B -147(3) . . . . ?
Al1 O12B C41B C43B -40(5) . . . . ?
Al1 O12B C41B C42B 103(4) . . . . ?
Al1 O11B C37B C39B 43(7) . . . . ?
Al1 O11B C37B C38B 165(5) . . . . ?
Al1 O11B C37B C40B -65(7) . . . . ?
Al1 O9B C29 C32B 50(2) . . . . ?
Al1 O9B C29 C31B -174(2) . . . . ?
Al1 O9B C29 C30B -63(2) . . . . ?
Al1 O10B C33B C36B 64(3) . . . . ?
Al1 O10B C33B C35B 180(2) . . . . ?
Al1 O10B C33B C34B -49(4) . . . . ?
C25 C26 C22 Mo4 64.8(4) . . . . ?
C25 C26 C22 C23 -0.3(6) . . . . ?
C25 C24 C23 Mo4 -63.0(4) . . . . ?
C25 C24 C23 C22 -1.1(6) . . . . ?
C17 C18 C19 Mo3 63.6(4) . . . . ?
C17 C18 C19 C15 1.3(6) . . . . ?
C26 C25 C24 Mo4 -64.0(4) . . . . ?
C26 C25 C24 C23 0.9(6) . . . . ?
C26 C22 C23 Mo4 62.8(4) . . . . ?
C26 C22 C23 C24 0.9(6) . . . . ?
C18 C17 C16 Mo3 -65.3(3) . . . . ?
C18 C17 C16 C15 -0.1(6) . . . . ?
C1 C2 C3A Mo1 62.2(4) . . . . ?
C1 C2 C3A C4A -1.7(7) . . . . ?
C1 C2 C3B Mo1 -62.2(5) . . . . ?
C1 C2 C3B C4B -1.5(18) . . . . ?
C16 C15 C19 Mo3 -62.7(4) . . . . ?
C16 C15 C19 C18 -1.4(6) . . . . ?
C16 C17 C18 Mo3 65.2(3) . . . . ?
C16 C17 C18 C19 -0.8(6) . . . . ?
C9 C8 C12 Mo2 -63.0(4) . . . . ?
C9 C8 C12 C11 1.0(7) . . . . ?
C2 C1 C5A Mo1 -64.3(4) . . . . ?
C2 C1 C5A C4A -0.6(7) . . . . ?
C2 C1 C5B Mo1 64.6(5) . . . . ?
C2 C1 C5B C4B 2.2(17) . . . . ?
C8 C9 C10 Mo2 63.7(4) . . . . ?
C8 C9 C10 C11 0.4(7) . . . . ?
C12 C11 C10 Mo2 -65.2(4) . . . . ?
C12 C11 C10 C9 0.2(7) . . . . ?
C24 C25 C26 Mo4 65.4(4) . . . . ?
C24 C25 C26 C22 -0.4(6) . . . . ?
C19 C15 C16 Mo3 64.5(4) . . . . ?
C19 C15 C16 C17 1.0(6) . . . . ?
C10 C11 C12 Mo2 65.6(4) . . . . ?
C10 C11 C12 C8 -0.8(7) . . . . ?
C10 C9 C8 Mo2 -62.4(4) . . . . ?
C10 C9 C8 C12 -0.9(7) . . . . ?
C5A C1 C2 Mo1 63.3(4) . . . . ?
C5A C1 C2 C3A 1.3(6) . . . . ?
C5A C4A C3A Mo1 -61.3(5) . . . . ?
C5A C4A C3A C2 1.3(8) . . . . ?
C3A C4A C5A Mo1 62.0(5) . . . . ?
C3A C4A C5A C1 -0.5(8) . . . . ?
O12A Al1 O11A C37A 165.9(15) . . . . ?
O12A Al1 O10A C33A 80.0(9) . . . . ?
O12A Al1 O9A C29 31.8(9) . . . . ?
O12A C41A C44A F35A -77.9(15) . . . . ?
O12A C41A C44A F36A 176.2(15) . . . . ?
O12A C41A C44A F34A 28(2) . . . . ?
O12A C41A C43A F32A 42(2) . . . . ?
O12A C41A C43A F33A -82.3(16) . . . . ?
O12A C41A C43A F31A 163.9(15) . . . . ?
O12A C41A C42A F30A -72.9(17) . . . . ?
O12A C41A C42A F28A 165(2) . . . . ?
O12A C41A C42A F29A 49.6(18) . . . . ?
C44A C41A C43A F32A 160.0(18) . . . . ?
C44A C41A C43A F33A 36.0(17) . . . . ?
C44A C41A C43A F31A -77.7(19) . . . . ?
C44A C41A C42A F30A 162.1(16) . . . . ?
C44A C41A C42A F28A 40(3) . . . . ?
C44A C41A C42A F29A -75.4(18) . . . . ?
C43A C41A C44A F35A 167.9(14) . . . . ?
C43A C41A C44A F36A 62(2) . . . . ?
C43A C41A C44A F34A -86(2) . . . . ?
C43A C41A C42A F30A 43(2) . . . . ?
C43A C41A C42A F28A -80(3) . . . . ?
C43A C41A C42A F29A 165.2(15) . . . . ?
C42A C41A C44A F35A 43.9(18) . . . . ?
C42A C41A C44A F36A -62(2) . . . . ?
C42A C41A C44A F34A 149.9(19) . . . . ?
C42A C41A C43A F32A -74(2) . . . . ?
C42A C41A C43A F33A 162.1(14) . . . . ?
C42A C41A C43A F31A 48(2) . . . . ?
O11A Al1 O12A C41A -26.8(14) . . . . ?
O11A Al1 O10A C33A -160.9(8) . . . . ?
O11A Al1 O9A C29 -91.4(8) . . . . ?
O11A C37A C39A F24A -43.6(12) . . . . ?
O11A C37A C39A F22A -166.0(9) . . . . ?
O11A C37A C39A F23A 75.6(11) . . . . ?
O11A C37A C38A F20A 70.2(15) . . . . ?
O11A C37A C38A F21A -52.0(15) . . . . ?
O11A C37A C38A F19A -166.9(12) . . . . ?
O11A C37A C40A F27A -46.0(13) . . . . ?
O11A C37A C40A F25A -167.2(9) . . . . ?
O11A C37A C40A F26A 73.9(12) . . . . ?
C39A C37A C38A F20A -161.4(10) . . . . ?
C39A C37A C38A F21A 76.4(14) . . . . ?
C39A C37A C38A F19A -38.4(18) . . . . ?
C39A C37A C40A F27A -163.0(10) . . . . ?
C39A C37A C40A F25A 75.7(12) . . . . ?
C39A C37A C40A F26A -43.1(12) . . . . ?
C38A C37A C39A F24A -172.6(10) . . . . ?
C38A C37A C39A F22A 65.0(14) . . . . ?
C38A C37A C39A F23A -53.4(13) . . . . ?
C38A C37A C40A F27A 72.3(13) . . . . ?
C38A C37A C40A F25A -49.0(14) . . . . ?
C38A C37A C40A F26A -167.8(11) . . . . ?
C40A C37A C39A F24A 71.2(10) . . . . ?
C40A C37A C39A F22A -51.2(12) . . . . ?
C40A C37A C39A F23A -169.6(9) . . . . ?
C40A C37A C38A F20A -45.0(15) . . . . ?
C40A C37A C38A F21A -167.2(11) . . . . ?
C40A C37A C38A F19A 77.9(16) . . . . ?
O10A Al1 O12A C41A 89.0(14) . . . . ?
O10A Al1 O11A C37A 44.7(15) . . . . ?
O10A Al1 O9A C29 154.1(8) . . . . ?
O10A C33A C34A F11A -76.2(8) . . . . ?
O10A C33A C34A F12A 162.8(6) . . . . ?
O10A C33A C34A F10A 44.4(9) . . . . ?
O10A C33A C36A F17A 45.4(11) . . . . ?
O10A C33A C36A F18A -70.8(11) . . . . ?
O10A C33A C36A F16A 167.0(9) . . . . ?
O10A C33A C35A F14A -77.9(9) . . . . ?
O10A C33A C35A F15A 160.0(7) . . . . ?
O10A C33A C35A F13A 40.6(9) . . . . ?
C34A C33A C36A F17A 165.0(8) . . . . ?
C34A C33A C36A F18A 48.8(11) . . . . ?
C34A C33A C36A F16A -73.4(11) . . . . ?
C34A C33A C35A F14A 164.1(7) . . . . ?
C34A C33A C35A F15A 41.9(10) . . . . ?
C34A C33A C35A F13A -77.5(9) . . . . ?
C36A C33A C34A F11A 162.0(8) . . . . ?
C36A C33A C34A F12A 41.0(9) . . . . ?
C36A C33A C34A F10A -77.4(10) . . . . ?
C36A C33A C35A F14A 45.3(10) . . . . ?
C36A C33A C35A F15A -76.9(10) . . . . ?
C36A C33A C35A F13A 163.8(7) . . . . ?
C35A C33A C34A F11A 44.4(10) . . . . ?
C35A C33A C34A F12A -76.6(8) . . . . ?
C35A C33A C34A F10A 165.0(8) . . . . ?
C35A C33A C36A F17A -78.0(10) . . . . ?
C35A C33A C36A F18A 165.8(8) . . . . ?
C35A C33A C36A F16A 43.6(12) . . . . ?
O9A Al1 O12A C41A -152.4(13) . . . . ?
O9A Al1 O11A C37A -71.1(15) . . . . ?
O9A Al1 O10A C33A -40.2(9) . . . . ?
F9A C32A C29 O9A -42.9(8) . . . . ?
F9A C32A C29 C31A -161.7(6) . . . . ?
F9A C32A C29 C30A 78.9(8) . . . . ?
F7A C32A C29 O9A -163.4(6) . . . . ?
F7A C32A C29 C31A 77.8(8) . . . . ?
F7A C32A C29 C30A -41.7(9) . . . . ?
F8A C32A C29 O9A 76.6(8) . . . . ?
F8A C32A C29 C31A -42.2(8) . . . . ?
F8A C32A C29 C30A -161.6(7) . . . . ?
F4A C31A C29 O9A 79.5(8) . . . . ?
F4A C31A C29 C32A -161.1(6) . . . . ?
F4A C31A C29 C30A -39.4(8) . . . . ?
F5A C31A C29 O9A -40.9(9) . . . . ?
F5A C31A C29 C32A 78.6(8) . . . . ?
F5A C31A C29 C30A -159.7(7) . . . . ?
F6A C31A C29 O9A -161.4(7) . . . . ?
F6A C31A C29 C32A -41.9(9) . . . . ?
F6A C31A C29 C30A 79.7(9) . . . . ?
F2A C30A C29 O9A -40.2(9) . . . . ?
F2A C30A C29 C32A -161.9(7) . . . . ?
F2A C30A C29 C31A 77.9(9) . . . . ?
F3A C30A C29 O9A -162.6(6) . . . . ?
F3A C30A C29 C32A 75.7(8) . . . . ?
F3A C30A C29 C31A -44.5(8) . . . . ?
F1A C30A C29 O9A 79.8(9) . . . . ?
F1A C30A C29 C32A -41.9(10) . . . . ?
F1A C30A C29 C31A -162.1(8) . . . . ?
C45A C46 C47A C48A 175(2) . . . . ?
C45A C46 C51A C50A -177(2) . . . . ?
C46 C47A C48A C49A 3.6(19) . . . . ?
C47A C46 C51A C50A -2(2) . . . . ?
C47A C48A C49A C50A -5(2) . . . . ?
C48A C49A C50A C51A 3(3) . . . . ?
C49A C50A C51A C46 0(3) . . . . ?
C51A C46 C47A C48A 0.2(19) . . . . ?
O12B Al1 O11B C37B -26(7) . . . . ?
O12B Al1 O9B C29 -160.9(19) . . . . ?
O12B Al1 O10B C33B -95(3) . . . . ?
F36B C44B C41B O12B -151(2) . . . . ?
F36B C44B C41B C43B 99(2) . . . . ?
F36B C44B C41B C42B -12(2) . . . . ?
F34B C44B C41B O12B 106.6(16) . . . . ?
F34B C44B C41B C43B -3.7(16) . . . . ?
F34B C44B C41B C42B -115.1(17) . . . . ?
F35B C44B C41B O12B -7(2) . . . . ?
F35B C44B C41B C43B -117.4(19) . . . . ?
F35B C44B C41B C42B 131(2) . . . . ?
F32B C43B C41B O12B 55(3) . . . . ?
F32B C43B C41B C44B 156.9(16) . . . . ?
F32B C43B C41B C42B -98(2) . . . . ?
F33B C43B C41B O12B -61(3) . . . . ?
F33B C43B C41B C44B 41(3) . . . . ?
F33B C43B C41B C42B 146(2) . . . . ?
F31B C43B C41B O12B 173(2) . . . . ?
F31B C43B C41B C44B -85(2) . . . . ?
F31B C43B C41B C42B 20(4) . . . . ?
F29B C42B C41B O12B -78(4) . . . . ?
F29B C42B C41B C44B 172.7(19) . . . . ?
F29B C42B C41B C43B 64(3) . . . . ?
F30B C42B C41B O12B 154(3) . . . . ?
F30B C42B C41B C44B 45(3) . . . . ?
F30B C42B C41B C43B -64(3) . . . . ?
F28B C42B C41B O12B 31(4) . . . . ?
F28B C42B C41B C44B -78(2) . . . . ?
F28B C42B C41B C43B 173(2) . . . . ?
O11B Al1 O12B C41B -169(4) . . . . ?
O11B Al1 O9B C29 88(2) . . . . ?
O11B Al1 O10B C33B 30(3) . . . . ?
O11B C37B C39B F24B -71(3) . . . . ?
O11B C37B C39B F22B 168(2) . . . . ?
O11B C37B C39B F23B 49(3) . . . . ?
O11B C37B C38B F20B 45(3) . . . . ?
O11B C37B C38B F21B -79(3) . . . . ?
O11B C37B C38B F19B 159(3) . . . . ?
O11B C37B C40B F27B -78(3) . . . . ?
O11B C37B C40B F25B 160(2) . . . . ?
O11B C37B C40B F26B 31(3) . . . . ?
C39B C37B C38B F20B 168(2) . . . . ?
C39B C37B C38B F21B 44(3) . . . . ?
C39B C37B C38B F19B -78(3) . . . . ?
C39B C37B C40B F27B 168(2) . . . . ?
C39B C37B C40B F25B 46(3) . . . . ?
C39B C37B C40B F26B -83(3) . . . . ?
C38B C37B C39B F24B 163.6(19) . . . . ?
C38B C37B C39B F22B 43(3) . . . . ?
C38B C37B C39B F23B -76(3) . . . . ?
C38B C37B C40B F27B 52(3) . . . . ?
C38B C37B C40B F25B -70(3) . . . . ?
C38B C37B C40B F26B 161(2) . . . . ?
C40B C37B C39B F24B 44(3) . . . . ?
C40B C37B C39B F22B -77(2) . . . . ?
C40B C37B C39B F23B 164.0(18) . . . . ?
C40B C37B C38B F20B -83(3) . . . . ?
C40B C37B C38B F21B 153(2) . . . . ?
C40B C37B C38B F19B 31(3) . . . . ?
O9B Al1 O12B C41B 75(4) . . . . ?
O9B Al1 O11B C37B 79(7) . . . . ?
O9B Al1 O10B C33B 158(3) . . . . ?
O9B C29 C32B F9B -67(2) . . . . ?
O9B C29 C32B F7B 163(2) . . . . ?
O9B C29 C32B F8B 42(2) . . . . ?
O9B C29 C31B F5B 24(3) . . . . ?
O9B C29 C31B F6B -90(2) . . . . ?
O9B C29 C31B F4B 161(2) . . . . ?
O9B C29 C30B F3B -66(3) . . . . ?
O9B C29 C30B F1B 164(3) . . . . ?
O9B C29 C30B F2B 33(3) . . . . ?
C32B C29 C31B F5B 162(3) . . . . ?
C32B C29 C31B F6B 49(3) . . . . ?
C32B C29 C31B F4B -60(3) . . . . ?
C32B C29 C30B F3B 169(2) . . . . ?
C32B C29 C30B F1B 38(3) . . . . ?
C32B C29 C30B F2B -92(2) . . . . ?
C31B C29 C32B F9B 155.6(19) . . . . ?
C31B C29 C32B F7B 26(3) . . . . ?
C31B C29 C32B F8B -96(2) . . . . ?
C31B C29 C30B F3B 57(3) . . . . ?
C31B C29 C30B F1B -74(4) . . . . ?
C31B C29 C30B F2B 156(3) . . . . ?
C30B C29 C32B F9B 56(2) . . . . ?
C30B C29 C32B F7B -74(2) . . . . ?
C30B C29 C32B F8B 164(2) . . . . ?
C30B C29 C31B F5B -98(3) . . . . ?
C30B C29 C31B F6B 149(2) . . . . ?
C30B C29 C31B F4B 40(3) . . . . ?
O10B Al1 O12B C41B -38(4) . . . . ?
O10B Al1 O11B C37B -155(6) . . . . ?
O10B Al1 O9B C29 -43(2) . . . . ?
O10B C33B C36B F18B -41(3) . . . . ?
O10B C33B C36B F16B -164(2) . . . . ?
O10B C33B C36B F17B 86(3) . . . . ?
O10B C33B C35B F14B 83(3) . . . . ?
O10B C33B C35B F15B -36(3) . . . . ?
O10B C33B C35B F13B -160(2) . . . . ?
O10B C33B C34B F11B -46(2) . . . . ?
O10B C33B C34B F12B -160(2) . . . . ?
O10B C33B C34B F10B 74(3) . . . . ?
C36B C33B C35B F14B -163(2) . . . . ?
C36B C33B C35B F15B 78(3) . . . . ?
C36B C33B C35B F13B -45(3) . . . . ?
C36B C33B C34B F11B -159(2) . . . . ?
C36B C33B C34B F12B 87(3) . . . . ?
C36B C33B C34B F10B -40(3) . . . . ?
C35B C33B C36B F18B -160(3) . . . . ?
C35B C33B C36B F16B 78(3) . . . . ?
C35B C33B C36B F17B -32(4) . . . . ?
C35B C33B C34B F11B 83(3) . . . . ?
C35B C33B C34B F12B -31(3) . . . . ?
C35B C33B C34B F10B -157(2) . . . . ?
C34B C33B C36B F18B 78(3) . . . . ?
C34B C33B C36B F16B -45(3) . . . . ?
C34B C33B C36B F17B -155(3) . . . . ?
C34B C33B C35B F14B -47(4) . . . . ?
C34B C33B C35B F15B -166(2) . . . . ?
C34B C33B C35B F13B 70(3) . . . . ?
C5B C1 C2 Mo1 -62.8(8) . . . . ?
C5B C1 C2 C3B -0.4(11) . . . . ?
C5B C4B C3B Mo1 62.5(13) . . . . ?
C5B C4B C3B C2 3(2) . . . . ?
C3B C4B C5B Mo1 -63.8(14) . . . . ?
C3B C4B C5B C1 -3(2) . . . . ?
C49B C48B C47B C46 0(3) . . . . ?
C49B C50B C51B C46 2(4) . . . . ?
C51B C46 C47B C48B -7(2) . . . . ?
C51B C50B C49B C48B -10(3) . . . . ?
C47B C46 C51B C50B 6(3) . . . . ?
C47B C48B C49B C50B 9(3) . . . . ?
C45B C46 C51B C50B 178(2) . . . . ?
C45B C46 C47B C48B -179(2) . . . . ?

_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 4.863
_oxdiff_exptl_absorpt_empirical_full_min 0.298
_vrf_PLAT088_psh_194_pr_b_mp_abs 
;
PROBLEM: Poor Data / Parameter Ratio ....................       6.78 Note  
RESPONSE: The poor data/parameter ratio is caused by the heavy disorder 
of the anion. 
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh224_mo_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2300860'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2021-04-30
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.04.28 svn.r794ee209 for OlexSys, GUI svn.r6317)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C28 H20 Cu Mo4 O8 P3.08 Sb0.92, Al C16 F36 O4, C7 H8'
_chemical_formula_sum            'C51 H28 Al Cu F36 Mo4 O12 P3.08 Sb0.92'
_chemical_formula_weight         2198.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         C51H28AlCuF36Mo4O12P3.1Sb0.9
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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'
Sb Sb -0.5866 1.5461 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.6787(3)
_cell_length_b                   23.0865(3)
_cell_length_c                   19.1437(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.768(2)
_cell_angle_gamma                90
_cell_volume                     6845.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    35676
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      33.9650
_cell_measurement_theta_min      3.0360
_shelx_estimated_absorpt_T_max   0.728
_shelx_estimated_absorpt_T_min   0.636
_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.90a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'intense red'
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4228
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 -1 0.1703
0 -1 1 0.1412
-1 -1 -1 0.1558
1 0 2 0.1513
-1 0 -2 0.1607
1 -1 2 0.1526
2 1 2 0.1416
-2 1 2 0.0802
2 -1 -2 0.1299
2 1 -1 0.1297
-2 -1 1 0.1202
1 -2 -2 0.1589
-1 2 2 0.1122
2 1 -2 0.1286
-2 -2 1 0.1250
0 1 1 0.1317
2 2 -1 0.1309
-2 -1 2 0.1012
-1 -2 -1 0.1647
-1 -1 1 0.1048
1 1 -1 0.1276
0 -1 -2 0.1767
-1 -2 1 0.1098
1 2 -1 0.1303
2 1 1 0.1286
-2 0 -1 0.1253
-2 1 -1 0.1394
2 -1 1 0.1419
0 1 0 0.1224
0 -1 0 0.1224
-1 1 0 0.1190
1 0 0 0.1212
2 -1 0 0.1277
1 -2 -1 0.1210
2 -1 -1 0.1198
-1 2 1 0.0921
1 0 -2 0.1463

_exptl_crystal_size_max          0.308
_exptl_crystal_size_mid          0.257
_exptl_crystal_size_min          0.21
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0000 1.0000 -1.0000 0.0483 -0.0115 0.0086
0.0000 -1.0000 1.0000 -0.0483 0.0115 -0.0086
-1.0000 -1.0000 -1.0000 0.0373 -0.0089 -0.0672
1.0000 0.0000 2.0000 -0.0856 0.0204 0.0586
-1.0000 -0.0000 -2.0000 0.0856 -0.0204 -0.0586
1.0000 -1.0000 2.0000 -0.1036 0.0101 0.0359
2.0000 1.0000 2.0000 -0.0926 0.0075 0.1118
-2.0000 1.0000 2.0000 0.0075 0.1005 -0.0101
2.0000 -1.0000 -2.0000 -0.0075 -0.1005 0.0101
2.0000 1.0000 -1.0000 -0.0018 -0.0580 0.0696
-2.0000 -1.0000 1.0000 0.0018 0.0580 -0.0696
1.0000 -2.0000 -2.0000 -0.0004 -0.0876 -0.0430
-1.0000 2.0000 2.0000 0.0004 0.0876 0.0430
2.0000 1.0000 -2.0000 0.0285 -0.0799 0.0555
-2.0000 -2.0000 1.0000 -0.0162 0.0477 -0.0922
0.0000 1.0000 1.0000 -0.0123 0.0322 0.0367
2.0000 2.0000 -1.0000 0.0162 -0.0477 0.0922
-2.0000 -1.0000 2.0000 -0.0285 0.0799 -0.0555
-1.0000 -2.0000 -1.0000 0.0193 -0.0192 -0.0899
-1.0000 -1.0000 1.0000 -0.0233 0.0348 -0.0391
1.0000 1.0000 -1.0000 0.0233 -0.0348 0.0391
-0.0000 -1.0000 -2.0000 0.0426 -0.0540 -0.0508
-1.0000 -2.0000 1.0000 -0.0412 0.0244 -0.0618
1.0000 2.0000 -1.0000 0.0412 -0.0244 0.0618
2.0000 1.0000 1.0000 -0.0623 -0.0144 0.0977
-2.0000 -0.0000 -1.0000 0.0803 0.0247 -0.0750
-2.0000 1.0000 -1.0000 0.0983 0.0350 -0.0524
2.0000 -1.0000 1.0000 -0.0983 -0.0350 0.0524
0.0000 1.0000 -0.0000 0.0180 0.0103 0.0227
-0.0000 -1.0000 0.0000 -0.0180 -0.0103 -0.0227
-1.0000 1.0000 -0.0000 0.0430 0.0336 -0.0078
1.0000 0.0000 0.0000 -0.0250 -0.0233 0.0305
2.0000 -1.0000 0.0000 -0.0680 -0.0569 0.0383
1.0000 -2.0000 -1.0000 -0.0307 -0.0658 -0.0289
2.0000 -1.0000 -1.0000 -0.0377 -0.0787 0.0242
-1.0000 2.0000 1.0000 0.0307 0.0658 0.0289
1.0000 0.0000 -2.0000 0.0355 -0.0669 0.0023

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            85359
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.998
_diffrn_reflns_theta_min         2.602
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2548
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_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    -23.00   2.00   1.00   14.77    --   23.58 -56.00 138.00   25
  2  ω     -3.00  45.00   1.00   14.77    --   23.58  56.00 -79.00   48
  3  ω    -95.00   4.00   1.00   14.77    --  -23.73 -56.00 138.00   99
  4  ω     -2.00  31.00   1.00   14.77    --  -23.73  56.00 -79.00   33
  5  ω     -9.00  41.00   1.00   14.77    --   23.58  77.00 150.00   50
  6  ω     74.00 100.00   1.00   14.77    --   23.58 178.00-180.00   26
  7  ω     -9.00  42.00   1.00   14.77    --   23.58  77.00 -30.00   51
  8  ω    -98.00  -1.00   1.00   14.77    --  -23.73 -38.00  30.00   97
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0250183000
_diffrn_orient_matrix_UB_12      0.0179876000
_diffrn_orient_matrix_UB_13      -0.0302810000
_diffrn_orient_matrix_UB_21      -0.0232647000
_diffrn_orient_matrix_UB_22      0.0103301000
_diffrn_orient_matrix_UB_23      0.0218416000
_diffrn_orient_matrix_UB_31      0.0304822000
_diffrn_orient_matrix_UB_32      0.0226759000
_diffrn_orient_matrix_UB_33      0.0140704000
_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              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17954
_reflns_number_total             21810
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.93
_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 1.171.41.90a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.90a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.90a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.283
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2010
_refine_ls_number_reflns         21810
_refine_ls_number_restraints     1275
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.095
_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)+(0.0223P)²+10.8019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0799
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C46B-C47B = C47B-C48B = C48B-C49B = C49B-C50B = C50B-C51B = C51B-C46B
 1.35 with sigma of 0.02
 C45A-C46A = C46B-C45B
 1.54 with sigma of 0.02
 F8C-C32C \\sim F9C-C32C \\sim F7C-C32C \\sim F4C-C31C \\sim F5C-C31C \\sim
F3C-C30C \\sim F1C-C30C ~
 F2C-C30C
 with sigma of 0.04
 C33A-C36A \\sim C33A-C36C \\sim C33A-C34C \\sim C34A-C33A \\sim C33A-C35C
\\sim C35A-C33A
 with sigma of 0.02
 C45B-C51B \\sim C45B-C47B
 with sigma of 0.04
 C46B-C50B \\sim C46B-C48B \\sim C51B-C49B \\sim C47B-C51B \\sim C48B-C50B
\\sim C47B-C49B
 with sigma of 0.04
 F1B-C30B \\sim F2B-C30B \\sim F3B-C30B \\sim F8B-C32B \\sim F9B-C32B \\sim
F7B-C32B \\sim F6B-C31B ~
 F4B-C31B
 with sigma of 0.04
 C29C-C32C \\sim C29C-C31C \\sim C29C-C30C
 with sigma of 0.04
 F8A-C32A \\sim F9A-C32A \\sim F7A-C32A \\sim F4A-C31A \\sim F5A-C31A \\sim
F6A-C31A \\sim F3A-C30A ~
 F1A-C30A \\sim F2A-C30A
 with sigma of 0.04
 C29A-C32A \\sim C29A-C31A \\sim C29A-C30A
 with sigma of 0.04
 C29B-C30B \\sim C29B-C32B \\sim C29B-C31B
 with sigma of 0.04
 F22C-F23C \\sim F23C-F24C \\sim F24C-F22C
 with sigma of 0.02
 F19C-C38C \\sim F20C-C38C \\sim F21C-C38C \\sim F24C-C39C \\sim F22C-C39C
\\sim F23C-C39C \\sim F25C-
 C40C \\sim F26C-C40C \\sim F27C-C40C
 with sigma of 0.02
 C37-C39A \\sim C38B-C37 \\sim C37-C40A \\sim C39B-C37 \\sim C37-C38A \\sim
C40B-C37
 with sigma of 0.01
 F21B-F19B \\sim F19B-F20B \\sim F20B-F21B
 with sigma of 0.02
 F22B-C39B \\sim F23B-C39B \\sim F24B-C39B \\sim F25B-C40B \\sim F26B-C40B
\\sim F27B-C40B \\sim F19B-
 C38B \\sim F20B-C38B \\sim F21B-C38B
 with sigma of 0.02
 F18A-F16A \\sim F16A-F17A \\sim F17A-F18A
 with sigma of 0.01
 F15A-C35A \\sim F15C-C35A \\sim F15C-C35C \\sim F15A-C35C \\sim F14A-C35A
 with sigma of 0.02
3. Restrained planarity
 C50B, C45B, C46B, C47B, C51B, C48B, C49B
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
C36A \\sim C36C \\sim C33A \\sim C35C \\sim C35A \\sim C34A \\sim C34C: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02 within 1.7A
C45A \\sim C45B \\sim C46A \\sim C47B \\sim C47A \\sim C48A \\sim C48B \\sim
C49B \\sim C49A \\sim C50B \\sim C50A \\sim C51B \\sim C51A \\sim C46B: within
1.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.8A
C44C \\sim F36C \\sim F35C \\sim F34C: within 1.8A with sigma of 0.02 and sigma
for terminal atoms of 0.02 within 1.8A
F5C \\sim C31C \\sim F4C: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.01 within 1.7A
C39C \\sim F22C \\sim F24C \\sim F23C: within 1.8A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.8A
C37 \\sim C39A \\sim C39C \\sim C38B \\sim C38C \\sim C40B \\sim C38A \\sim
C39B \\sim C40C \\sim C40A: within 1.8A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.8A
C29A \\sim C29B \\sim C29C \\sim C30B \\sim C30C \\sim C30A \\sim C32B \\sim
C32C \\sim C32A \\sim C31B \\sim C31C \\sim C31A: within 1.7A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 1.7A
C31B \\sim F6B \\sim F4B \\sim F5B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F7C \\sim C32C \\sim F8C \\sim F9C: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F2C \\sim F3C \\sim C30C \\sim F1C: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F9B \\sim C32B \\sim F8B \\sim F7B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C37 \\sim C40B \\sim C39A \\sim C38B \\sim C40A \\sim C38A \\sim C39B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
O9A \\sim O9B \\sim Al1: within 1.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 1.8A
F22B \\sim F25C \\sim C40C \\sim C39B \\sim F23B \\sim F26C \\sim F27C \\sim
F24B: within 1.8A with sigma of 0.01 and sigma for terminal atoms of 0.01
within 1.8A
C44C \\sim C44A \\sim C41A \\sim C43C: within 1.8A with sigma of 0.02 and sigma
for terminal atoms of 0.02 within 1.8A
F32C \\sim C43C \\sim F33C \\sim F31C: within 1.8A with sigma of 0.02 and sigma
for terminal atoms of 0.02 within 1.8A
F21B \\sim C38B \\sim F19B \\sim F20B: within 1.7A with sigma of 0.005 and
sigma for terminal atoms of 0.005 within 1.7A
F25B \\sim C40B \\sim F27B \\sim F26B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F20C \\sim C38C \\sim F21C \\sim F19C: within 1.8A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.8A
F15C \\sim C35C \\sim F15A \\sim C35A \\sim F14A \\sim F14C: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
O10A \\sim O10B \\sim Al1: within 1.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.8A
C5B \\sim C4A \\sim C1B \\sim C3A: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.04 within 1.7A
F36A \\sim C44A \\sim F34A \\sim F35A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F13C \\sim F13A \\sim F15C \\sim C35A \\sim C35C \\sim F15A: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
5. Others
 Fixed Sof: Sb2(0.46) Sb1(0.46) O2A(0.67) O11A(0.67) F21A(0.62) F26A(0.62)
 F20A(0.62) F27A(0.62) C3A(0.67) H3A(0.67) C7A(0.67) F19A(0.62) C4A(0.67)
 H4A(0.67) O1A(0.67) F23A(0.62) F25A(0.62) F22A(0.62) C1A(0.67) H1A(0.67)
 C6A(0.67) C5A(0.67) H5A(0.67) C46A(0.8) C47A(0.8) H47A(0.8) C2A(0.67)
 H2A(0.67) C40A(0.62) C48A(0.8) H48A(0.8) C38A(0.62) C51A(0.8) H51A(0.8)
 C45A(0.8) H45A(0.8) H45B(0.8) H45C(0.8) C39A(0.62) C50A(0.8) H50A(0.8)
 C49A(0.8) H49A(0.8) O10A(0.64) C33A(0.64) C35A(0.31) F14A(0.31) F15A(0.31)
 C34A(0.31) F10A(0.31) F11A(0.31) F12A(0.64) C36A(0.31) F18A(0.31) F16A(0.64)
 F17A(0.31) O12A(0.7) C41A(0.7) C43A(0.49) F32A(0.49) F33A(0.49) F31A(0.49)
 C42A(0.7) F30A(0.7) F28A(0.7) F29A(0.7) C44A(0.49) F36A(0.49) F34A(0.49)
 F35A(0.49) O12B(0.3) C41B(0.3) C42B(0.3) F29B(0.3) F30B(0.3) F28B(0.3)
 C44B(0.3) F34B(0.3) F35B(0.3) F36B(0.3) C43B(0.3) F32B(0.3) F33B(0.3)
 F31B(0.3) C29A(0.4) C32A(0.4) F8A(0.4) F9A(0.4) F7A(0.4) C31A(0.4) F4A(0.4)
 F5A(0.4) F6A(0.68) C30A(0.4) F3A(0.4) F1A(0.4) F2A(0.4) O10B(0.36) C33B(0.36)
 C35B(0.36) F15B(0.36) F13B(0.36) F14B(0.36) C34B(0.36) F11B(0.36) F12B(0.36)
 F10B(0.36) C36B(0.36) F18B(0.36) F16B(0.36) F17B(0.36) C38B(0.21) F21B(0.21)
 F19B(0.21) F20B(0.21) C40B(0.21) F26B(0.21) F27B(0.83) F25B(0.21) C39B(0.21)
 F24B(0.21) F22B(0.21) F23B(0.21) O9B(0.32) C29B(0.32) C30B(0.32) F1B(0.32)
 F2B(0.32) F3B(0.32) C32B(0.32) F8B(0.32) F9B(0.32) F7B(0.32) C31B(0.32)
 F6B(0.32) F4B(0.32) O1B(0.33) C6B(0.33) C1B(0.33) H1B(0.33) C5B(0.33)
 H5B(0.33) C4B(0.33) H4B(0.33) C2B(0.33) H2B(0.33) C3B(0.33) H3B(0.33)
 C7B(0.33) O2B(0.33) P3(0.54) P4(0.54) F5B(0.32) O9A(0.68) C29C(0.28)
 C32C(0.28) F8C(0.28) F9C(0.28) F7C(0.28) C31C(0.28) F4C(0.28) F5C(0.28)
 C30C(0.28) F3C(0.28) F1C(0.28) F2C(0.28) C35C(0.33) F15C(0.33) F14C(0.33)
 C34C(0.33) F10C(0.33) F11C(0.33) C36C(0.33) F17C(0.33) F16C(0.33) C45B(0.2)
 H45D(0.2) H45E(0.2) H45F(0.2) C46B(0.2) C47B(0.2) H47B(0.2) C48B(0.2)
 H48B(0.2) C49B(0.2) H49B(0.2) C50B(0.2) H50B(0.2) C51B(0.2) H51B(0.2)
 C43C(0.21) F32C(0.21) F33C(0.21) F31C(0.21) C44C(0.21) F36C(0.21) F34C(0.21)
 F35C(0.21) O11B(0.33) C40C(0.17) F27C(0.17) F25C(0.17) F26C(0.17) C39C(0.17)
 F22C(0.17) F23C(0.17) F24C(0.17) C38C(0.17) F21C(0.17) F19C(0.17) F20C(0.17)
 F13A(0.31) F13C(0.33)
6.a Aromatic/amide H refined with riding coordinates:
 C3A(H3A), C19(H19), C17(H17), C18(H18), C15(H15), C16(H16), C26(H26),
 C24(H24), C4A(H4A), C25(H25), C22(H22), C23(H23), C11(H11), C12(H12), C1A(H1A),
  C8(H8), C10(H10), C5A(H5A), C9(H9), C47A(H47A), C2A(H2A), C48A(H48A),
 C51A(H51A), C50A(H50A), C49A(H49A), C1B(H1B), C5B(H5B), C4B(H4B), C2B(H2B),
 C3B(H3B), C47B(H47B), C48B(H48B), C49B(H49B), C50B(H50B), C51B(H51B)
6.b Idealised Me refined as rotating group:
 C45A(H45A,H45B,H45C), C45B(H45D,H45E,H45F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Mo1 Mo 0.55139(2) 0.54742(2) 0.71258(2) 0.02582(5) Uani 1 1 d . . . . .
Mo3 Mo 0.75169(2) 0.71748(2) 0.53014(2) 0.02807(5) Uani 1 1 d . . . . .
Mo4 Mo 0.74533(2) 0.65292(2) 0.38659(2) 0.02946(5) Uani 1 1 d . . . . .
Mo2 Mo 0.67636(2) 0.46775(2) 0.67526(2) 0.03540(6) Uani 1 1 d . . . . .
Cu1 Cu 0.58160(2) 0.57635(2) 0.48325(2) 0.02589(7) Uani 1 1 d . . . . .
Sb2 Sb 0.7384(3) 0.60323(18) 0.5142(2) 0.0270(4) Uani 0.46 1 d . . P A 1
Sb1 Sb 0.60535(8) 0.66937(7) 0.42004(8) 0.02315(17) Uani 0.46 1 d . . P A 1
P2 P 0.58374(5) 0.54730(3) 0.59751(4) 0.02661(13) Uani 1 1 d . . . . .
P1 P 0.51832(5) 0.47343(3) 0.61057(4) 0.02919(14) Uani 1 1 d . . . . .
Al1 Al 0.77674(5) 0.12386(4) 0.59462(4) 0.02801(16) Uani 1 1 d . U . . .
O5 O 0.62962(16) 0.71167(11) 0.62026(13) 0.0486(6) Uani 1 1 d . . . . .
O7 O 0.69505(19) 0.52421(10) 0.34145(15) 0.0549(7) Uani 1 1 d . . . . .
O8 O 0.93147(16) 0.60958(13) 0.48309(16) 0.0588(7) Uani 1 1 d . . . . .
O6 O 0.6418(2) 0.81681(11) 0.42812(16) 0.0637(8) Uani 1 1 d . . . . .
O4 O 0.6916(2) 0.44100(12) 0.52046(15) 0.0624(7) Uani 1 1 d . . . . .
C20 C 0.67092(19) 0.71313(13) 0.58388(16) 0.0337(6) Uani 1 1 d . . . . .
O3 O 0.80558(19) 0.57160(14) 0.69855(16) 0.0697(8) Uani 1 1 d . . . . .
O2A O 0.5108(3) 0.4368(2) 0.7903(3) 0.0464(11) Uani 0.67 1 d . . P B 1
O11A O 0.69263(19) 0.15223(13) 0.52088(17) 0.0299(6) Uani 0.67 1 d . . P C 1
C28 C 0.8628(2) 0.62489(15) 0.45004(19) 0.0418(7) Uani 1 1 d . . . . .
F21A F 0.6202(3) 0.16243(16) 0.3758(2) 0.0523(10) Uani 0.62 1 d . . P C 1
F26A F 0.5556(3) 0.1565(2) 0.5614(3) 0.0575(11) Uani 0.62 1 d . . P C 1
F20A F 0.5144(3) 0.14961(18) 0.4115(2) 0.0560(11) Uani 0.62 1 d . . P C 1
C27 C 0.7130(2) 0.57097(13) 0.35991(17) 0.0389(7) Uani 1 1 d . . . . .
C21 C 0.6792(2) 0.77884(14) 0.46360(18) 0.0423(7) Uani 1 1 d . . . . .
F27A F 0.5140(3) 0.2367(2) 0.5130(3) 0.0758(15) Uani 0.62 1 d . . P C 1
C3A C 0.5379(9) 0.6427(9) 0.7362(10) 0.046(3) Uani 0.67 1 d . U P D 1
H3A H 0.585711 0.668459 0.751579 0.055 Uiso 0.67 1 calc R U P D 1
C13 C 0.7575(2) 0.53479(17) 0.68920(19) 0.0495(8) Uani 1 1 d . . . . .
C19 C 0.8312(2) 0.77976(17) 0.62275(19) 0.0510(9) Uani 1 1 d . . . . .
H19 H 0.802647 0.808195 0.641008 0.061 Uiso 1 1 calc R U . . .
C14 C 0.6851(2) 0.45262(14) 0.57583(19) 0.0436(7) Uani 1 1 d . . . . .
C17 C 0.8936(2) 0.69525(19) 0.6081(2) 0.0568(10) Uani 1 1 d . . . . .
H17 H 0.914382 0.656536 0.614454 0.068 Uiso 1 1 calc R U . . .
C18 C 0.8520(2) 0.72298(19) 0.6510(2) 0.0551(9) Uani 1 1 d . . . . .
H18 H 0.840064 0.706428 0.691556 0.066 Uiso 1 1 calc R U . . .
C15 C 0.8601(2) 0.78702(17) 0.5625(2) 0.0502(9) Uani 1 1 d . . . . .
H15 H 0.854225 0.821022 0.533032 0.060 Uiso 1 1 calc R U . . .
C7A C 0.5320(4) 0.4757(3) 0.7640(3) 0.0323(12) Uani 0.67 1 d . . P B 1
F19A F 0.5410(3) 0.23469(15) 0.37779(19) 0.0599(10) Uani 0.62 1 d . . P C 1
C16 C 0.8990(2) 0.73507(18) 0.5541(2) 0.0552(10) Uani 1 1 d . . . . .
H16 H 0.924680 0.727869 0.518157 0.066 Uiso 1 1 calc R U . . .
C26 C 0.8175(3) 0.70750(16) 0.3272(2) 0.0504(9) Uani 1 1 d . . . . .
H26 H 0.877898 0.713869 0.350713 0.060 Uiso 1 1 calc R U . . .
C24 C 0.6882(3) 0.66684(16) 0.25847(19) 0.0564(10) Uani 1 1 d . . . . .
H24 H 0.645523 0.641063 0.227178 0.068 Uiso 1 1 calc R U . . .
C4A C 0.5110(8) 0.6098(7) 0.7864(9) 0.038(2) Uani 0.67 1 d . U P D 1
H4A H 0.536420 0.608606 0.839720 0.045 Uiso 0.67 1 calc R U P D 1
C25 C 0.7780(3) 0.65973(16) 0.28110(19) 0.0526(9) Uani 1 1 d . . . . .
H25 H 0.806812 0.628568 0.267876 0.063 Uiso 1 1 calc R U . . .
O1A O 0.7366(2) 0.56512(18) 0.83908(19) 0.0533(9) Uani 0.67 1 d . . P D 1
C22 C 0.7525(3) 0.74400(14) 0.33224(19) 0.0484(8) Uani 1 1 d . . . . .
H22 H 0.760937 0.779452 0.359215 0.058 Uiso 1 1 calc R U . . .
F23A F 0.6480(4) 0.3020(2) 0.4999(3) 0.0796(17) Uani 0.62 1 d . . P C 1
F25A F 0.6291(2) 0.23429(16) 0.60999(19) 0.0620(10) Uani 0.62 1 d . . P C 1
C23 C 0.6721(3) 0.71820(15) 0.2897(2) 0.0521(9) Uani 1 1 d . . . . .
H23 H 0.616829 0.733199 0.283558 0.062 Uiso 1 1 calc R U . . .
F22A F 0.7616(3) 0.25607(14) 0.5630(2) 0.0677(11) Uani 0.62 1 d . . P C 1
C11 C 0.6560(3) 0.38195(16) 0.7320(2) 0.0630(11) Uani 1 1 d . . . . .
H11 H 0.600051 0.367454 0.724108 0.076 Uiso 1 1 calc R U . . .
C12 C 0.7054(3) 0.41951(17) 0.7904(2) 0.0614(11) Uani 1 1 d . . . . .
H12 H 0.688793 0.434406 0.829284 0.074 Uiso 1 1 calc R U . . .
C1A C 0.4208(5) 0.5929(3) 0.6633(4) 0.0368(14) Uani 0.67 1 d . . P D 1
H1A H 0.374120 0.578062 0.621416 0.044 Uiso 0.67 1 calc R U P D 1
C6A C 0.6733(3) 0.5550(2) 0.7914(2) 0.0353(9) Uani 0.67 1 d . . P D 1
C8 C 0.7830(3) 0.4309(2) 0.7809(3) 0.0733(13) Uani 1 1 d . . . . .
H8 H 0.827811 0.455294 0.812045 0.088 Uiso 1 1 calc R U . . .
C10 C 0.7047(4) 0.37007(18) 0.6879(3) 0.0769(15) Uani 1 1 d . . . . .
H10 H 0.687394 0.345678 0.644877 0.092 Uiso 1 1 calc R U . . .
C5A C 0.4387(3) 0.57956(18) 0.7391(2) 0.0335(9) Uani 0.67 1 d . . P D 1
H5A H 0.405886 0.553393 0.756144 0.040 Uiso 0.67 1 calc R U P D 1
C9 C 0.7839(4) 0.4003(2) 0.7178(3) 0.0813(16) Uani 1 1 d . . . . .
H9 H 0.829067 0.399936 0.698896 0.098 Uiso 1 1 calc R U . . .
C46A C 0.9194(3) 0.4335(2) 0.5784(4) 0.0673(13) Uani 0.8 1 d D U P E 1
C47A C 0.9186(5) 0.3743(3) 0.5893(5) 0.0762(15) Uani 0.8 1 d . U P E 1
H47A H 0.889107 0.348418 0.549488 0.091 Uiso 0.8 1 calc R U P E 1
C2A C 0.4838(3) 0.63196(19) 0.6600(3) 0.0409(11) Uani 0.67 1 d . . P D 1
H2A H 0.489255 0.647880 0.616191 0.049 Uiso 0.67 1 calc R U P D 1
C40A C 0.5859(5) 0.2097(3) 0.5449(4) 0.0553(16) Uani 0.62 1 d D U P C 1
C48A C 0.9657(5) 0.3543(3) 0.6652(6) 0.0905(18) Uani 0.8 1 d . U P E 1
H48A H 0.969394 0.313635 0.673552 0.109 Uiso 0.8 1 calc R U P E 1
C38A C 0.5778(4) 0.1866(2) 0.4133(3) 0.0443(11) Uani 0.62 1 d D U P C 1
C51A C 0.9563(5) 0.4688(3) 0.6385(5) 0.101(2) Uani 0.8 1 d . U P E 1
H51A H 0.952828 0.509607 0.631589 0.121 Uiso 0.8 1 calc R U P E 1
C45A C 0.8791(4) 0.4587(3) 0.5031(4) 0.0826(18) Uani 0.8 1 d D U P E 1
H45A H 0.923657 0.466924 0.482467 0.124 Uiso 0.8 1 calc R U P E 1
H45B H 0.849686 0.494785 0.506287 0.124 Uiso 0.8 1 calc R U P E 1
H45C H 0.837122 0.431337 0.470130 0.124 Uiso 0.8 1 calc R U P E 1
C39A C 0.6941(4) 0.2538(2) 0.5007(3) 0.0541(14) Uani 0.62 1 d D U P C 1
C50A C 0.9989(5) 0.4464(4) 0.7098(6) 0.122(3) Uani 0.8 1 d . U P E 1
H50A H 1.025658 0.472044 0.750634 0.147 Uiso 0.8 1 calc R U P E 1
C49A C 1.0031(5) 0.3874(4) 0.7226(6) 0.108(2) Uani 0.8 1 d . U P E 1
H49A H 1.032246 0.371843 0.771447 0.130 Uiso 0.8 1 calc R U P E 1
O10A O 0.7747(2) 0.14770(17) 0.6761(2) 0.0306(7) Uani 0.64 1 d . U P C 1
C33A C 0.8179(5) 0.1570(3) 0.7502(4) 0.0362(14) Uani 0.64 1 d D U P C 1
C35A C 0.7471(9) 0.1842(7) 0.7804(6) 0.057(3) Uani 0.31 1 d D U P C 1
F14A F 0.7217(6) 0.2367(4) 0.7643(5) 0.083(3) Uani 0.31 1 d D U P C 1
F15A F 0.7807(15) 0.1819(7) 0.8543(9) 0.072(4) Uani 0.31 1 d D U P C 1
C34A C 0.8699(13) 0.1020(8) 0.7877(14) 0.056(5) Uani 0.31 1 d D U P C 1
F10A F 0.9101(6) 0.0878(4) 0.7472(5) 0.0534(19) Uani 0.31 1 d . . P C 1
F11A F 0.8183(9) 0.0645(6) 0.7944(6) 0.087(4) Uani 0.31 1 d . . P C 1
F12A F 0.9289(4) 0.1148(3) 0.8585(2) 0.0628(13) Uani 0.64 1 d . . P C 1
C36A C 0.8793(19) 0.2117(12) 0.7583(19) 0.053(7) Uani 0.31 1 d D U P C 1
F18A F 0.9484(4) 0.1971(4) 0.7472(3) 0.0475(18) Uani 0.31 1 d D . P C 1
F16A F 0.9093(3) 0.2307(2) 0.8312(2) 0.0724(14) Uani 0.64 1 d D . P C 1
F17A F 0.8429(10) 0.2564(6) 0.7161(5) 0.080(5) Uani 0.31 1 d D . P C 1
O12A O 0.7630(2) 0.04667(13) 0.58565(16) 0.0323(6) Uani 0.7 1 d . . P C 1
C41A C 0.7086(7) 0.0012(5) 0.5697(6) 0.0346(16) Uani 0.7 1 d . U P C 1
C43A C 0.6393(8) 0.0061(6) 0.4851(5) 0.0348(19) Uani 0.49 1 d . . P C 1
F32A F 0.5771(3) 0.0432(2) 0.4816(3) 0.0451(11) Uani 0.49 1 d . . P C 1
F33A F 0.6026(6) -0.0441(4) 0.4578(3) 0.0514(19) Uani 0.49 1 d . . P C 1
F31A F 0.6790(6) 0.0246(6) 0.4407(5) 0.048(2) Uani 0.49 1 d . . P C 1
C42A C 0.7614(4) -0.0551(2) 0.5706(3) 0.0557(14) Uani 0.7 1 d . . P C 1
F30A F 0.8324(3) -0.05577(16) 0.6310(3) 0.0972(18) Uani 0.7 1 d . . P C 1
F28A F 0.7795(4) -0.0603(2) 0.5110(3) 0.0725(14) Uani 0.7 1 d . . P C 1
F29A F 0.7172(3) -0.10291(13) 0.5756(2) 0.0787(12) Uani 0.7 1 d . . P C 1
C44A C 0.6555(9) -0.0035(5) 0.6218(5) 0.050(3) Uani 0.49 1 d . U P C 1
F36A F 0.7084(8) -0.0216(6) 0.6888(4) 0.071(3) Uani 0.49 1 d . U P C 1
F34A F 0.5891(5) -0.0381(4) 0.5977(4) 0.071(2) Uani 0.49 1 d . U P C 1
F35A F 0.6290(4) 0.0491(3) 0.6309(3) 0.0595(15) Uani 0.49 1 d . U P C 1
O12B O 0.7208(5) 0.0661(3) 0.5847(4) 0.0275(13) Uani 0.3 1 d . . P C 2
C41B C 0.7295(17) 0.0080(13) 0.5885(14) 0.038(5) Uani 0.3 1 d . . P C 2
C42B C 0.6377(10) -0.0189(5) 0.5736(8) 0.057(4) Uani 0.3 1 d . . P C 2
F29B F 0.5921(6) 0.0127(4) 0.6053(5) 0.063(2) Uani 0.3 1 d . . P C 2
F30B F 0.6419(7) -0.0748(4) 0.5945(6) 0.074(3) Uani 0.3 1 d . . P C 2
F28B F 0.5907(7) -0.0144(5) 0.4975(7) 0.066(3) Uani 0.3 1 d . . P C 2
C44B C 0.7688(9) -0.0173(4) 0.5331(7) 0.047(3) Uani 0.3 1 d . . P C 2
F34B F 0.8530(4) -0.0129(3) 0.5614(5) 0.0554(18) Uani 0.3 1 d . . P C 2
F35B F 0.7391(6) 0.0104(3) 0.4699(4) 0.0505(17) Uani 0.3 1 d . . P C 2
F36B F 0.7450(11) -0.0731(5) 0.5172(9) 0.086(5) Uani 0.3 1 d . . P C 2
C43B C 0.7879(11) -0.0113(5) 0.6704(8) 0.060(4) Uani 0.3 1 d . . P C 2
F32B F 0.8567(5) 0.0209(3) 0.6965(4) 0.0561(18) Uani 0.3 1 d . . P C 2
F33B F 0.8118(8) -0.0666(4) 0.6737(6) 0.088(4) Uani 0.3 1 d . . P C 2
F31B F 0.7422(19) -0.0065(6) 0.7160(9) 0.074(4) Uani 0.3 1 d . . P C 2
C29A C 0.935(2) 0.1304(9) 0.5563(11) 0.0475(19) Uani 0.4 1 d D U P C 1
C32A C 0.9031(7) 0.1623(6) 0.4784(6) 0.046(2) Uani 0.4 1 d D U P C 1
F8A F 0.8210(3) 0.1533(3) 0.4381(3) 0.0506(13) Uani 0.4 1 d D . P C 1
F9A F 0.9481(4) 0.1488(4) 0.4363(3) 0.0635(18) Uani 0.4 1 d D . P C 1
F7A F 0.9121(6) 0.2203(3) 0.4908(5) 0.0610(19) Uani 0.4 1 d D . P C 1
C31A C 1.0202(13) 0.1531(6) 0.6084(10) 0.051(2) Uani 0.4 1 d D U P C 1
F4A F 1.0530(9) 0.1117(5) 0.6617(7) 0.103(4) Uani 0.4 1 d D . P C 1
F5A F 1.0101(5) 0.2050(4) 0.6363(4) 0.064(3) Uani 0.4 1 d D . P C 1
F6A F 1.0767(2) 0.16272(18) 0.5730(2) 0.0725(11) Uani 0.68 1 d D . P C 1
C30A C 0.9429(7) 0.0648(5) 0.5383(7) 0.0603(19) Uani 0.4 1 d D U P C 1
F3A F 0.9483(6) 0.0320(4) 0.5977(7) 0.082(3) Uani 0.4 1 d D . P C 1
F1A F 1.0141(7) 0.0567(4) 0.5231(7) 0.097(3) Uani 0.4 1 d D . P C 1
F2A F 0.8752(5) 0.0468(3) 0.4795(5) 0.072(2) Uani 0.4 1 d D . P C 1
O10B O 0.8166(4) 0.1534(3) 0.6892(4) 0.0305(12) Uani 0.36 1 d . U P C 2
C33B C 0.8058(9) 0.1796(4) 0.7476(6) 0.031(2) Uani 0.36 1 d . . P C 2
C35B C 0.7026(7) 0.1891(5) 0.7279(6) 0.044(2) Uani 0.36 1 d . . P C 2
F15B F 0.6743(3) 0.2354(3) 0.6856(3) 0.0502(13) Uani 0.36 1 d . . P C 2
F13B F 0.6864(4) 0.1946(3) 0.7877(4) 0.0521(16) Uani 0.36 1 d . . P C 2
F14B F 0.6611(4) 0.1430(3) 0.6898(3) 0.0547(15) Uani 0.36 1 d . . P C 2
C34B C 0.8415(8) 0.1416(4) 0.8174(6) 0.051(2) Uani 0.36 1 d . . P C 2
F11B F 0.9174(6) 0.1208(3) 0.8250(5) 0.056(2) Uani 0.36 1 d . . P C 2
F12B F 0.7938(9) 0.0945(6) 0.8128(7) 0.068(3) Uani 0.36 1 d . . P C 2
F10B F 0.8492(7) 0.1704(3) 0.8806(3) 0.073(2) Uani 0.36 1 d . . P C 2
C36B C 0.8468(8) 0.2381(7) 0.7614(7) 0.034(2) Uani 0.36 1 d . . P C 2
F18B F 0.9312(4) 0.2352(3) 0.7957(4) 0.0544(18) Uani 0.36 1 d . . P C 2
F16B F 0.8184(4) 0.2731(2) 0.8050(3) 0.0519(14) Uani 0.36 1 d . . P C 2
F17B F 0.8318(5) 0.2664(4) 0.6956(4) 0.0332(14) Uani 0.36 1 d . . P C 2
C37 C 0.6387(2) 0.19810(14) 0.49363(18) 0.0446(7) Uani 1 1 d D U . . .
C38B C 0.6028(10) 0.2596(5) 0.4941(8) 0.076(2) Uani 0.21 1 d D U P C 2
F21B F 0.5429(11) 0.2574(7) 0.5250(9) 0.077(3) Uani 0.21 1 d D U P C 2
F19B F 0.5649(9) 0.2906(5) 0.4286(7) 0.071(3) Uani 0.21 1 d D U P C 2
F20B F 0.6727(10) 0.2896(6) 0.5382(8) 0.085(3) Uani 0.21 1 d D U P C 2
C40B C 0.6644(10) 0.2064(6) 0.4239(6) 0.071(3) Uani 0.21 1 d D U P C 2
F26B F 0.7179(10) 0.1632(6) 0.4160(9) 0.068(3) Uani 0.21 1 d D U P C 2
F27B F 0.7179(3) 0.25506(16) 0.4414(2) 0.0905(12) Uani 0.83 1 d D U P C 2
F25B F 0.6054(13) 0.2067(8) 0.3515(8) 0.088(4) Uani 0.21 1 d D U P C 2
C39B C 0.5692(8) 0.1498(6) 0.4648(8) 0.072(3) Uani 0.21 1 d D U P C 2
F24B F 0.5932(8) 0.1028(5) 0.4292(7) 0.071(3) Uani 0.21 1 d D U P C 2
F22B F 0.4942(11) 0.1722(8) 0.4153(10) 0.082(4) Uani 0.21 1 d D U P C 2
F23B F 0.5498(7) 0.1285(7) 0.5252(8) 0.070(2) Uani 0.21 1 d D U P C 2
O9B O 0.8608(6) 0.1202(4) 0.5682(5) 0.0282(16) Uani 0.32 1 d . U P C 2
C29B C 0.935(2) 0.1360(10) 0.5664(12) 0.050(2) Uani 0.32 1 d D U P C 2
C30B C 1.0052(8) 0.1462(6) 0.6531(8) 0.058(2) Uani 0.32 1 d D U P C 2
F1B F 0.9899(5) 0.1964(4) 0.6800(5) 0.079(3) Uani 0.32 1 d D . P C 2
F2B F 1.0859(7) 0.1479(6) 0.6563(8) 0.081(4) Uani 0.32 1 d D . P C 2
F3B F 0.9979(4) 0.1014(4) 0.6943(4) 0.0619(19) Uani 0.32 1 d D . P C 2
C32B C 0.9735(9) 0.0931(7) 0.5249(8) 0.068(2) Uani 0.32 1 d D U P C 2
F8B F 0.9100(6) 0.0749(4) 0.4648(5) 0.074(2) Uani 0.32 1 d D U P C 2
F9B F 1.0070(8) 0.0486(5) 0.5759(10) 0.102(4) Uani 0.32 1 d D U P C 2
F7B F 1.0336(6) 0.1184(5) 0.5055(6) 0.096(3) Uani 0.32 1 d D U P C 2
C31B C 0.9278(9) 0.2018(6) 0.5334(9) 0.064(2) Uani 0.32 1 d D U P C 2
F6B F 1.0029(6) 0.2276(4) 0.5492(5) 0.080(3) Uani 0.32 1 d D U P C 2
F4B F 0.8757(5) 0.2329(3) 0.5525(5) 0.069(2) Uani 0.32 1 d D U P C 2
O1B O 0.3576(5) 0.5934(3) 0.6129(4) 0.0530(19) Uani 0.33 1 d . . P D 2
C6B C 0.4236(9) 0.5761(6) 0.6465(7) 0.031(2) Uani 0.33 1 d . . P D 2
C1B C 0.5590(17) 0.6455(18) 0.7450(18) 0.034(5) Uani 0.33 1 d . U P D 2
H1B H 0.526698 0.674559 0.711084 0.041 Uiso 0.33 1 calc R U P D 2
C5B C 0.5334(17) 0.6129(17) 0.792(2) 0.048(6) Uani 0.33 1 d . U P D 2
H5B H 0.478293 0.616512 0.795934 0.057 Uiso 0.33 1 calc R U P D 2
C4B C 0.5975(7) 0.5726(5) 0.8360(5) 0.047(2) Uani 0.33 1 d . . P D 2
H4B H 0.595152 0.545168 0.872214 0.056 Uiso 0.33 1 calc R U P D 2
C2B C 0.6371(7) 0.6284(4) 0.7562(5) 0.044(2) Uani 0.33 1 d . . P D 2
H2B H 0.671202 0.643851 0.730463 0.053 Uiso 0.33 1 calc R U P D 2
C3B C 0.6651(7) 0.5847(5) 0.8107(5) 0.046(3) Uani 0.33 1 d . . P D 2
H3B H 0.720037 0.566381 0.827609 0.055 Uiso 0.33 1 calc R U P D 2
C7B C 0.4966(8) 0.4813(6) 0.7441(7) 0.034(2) Uani 0.33 1 d . . P D 2
O2B O 0.4714(7) 0.4420(5) 0.7661(6) 0.050(2) Uani 0.33 1 d . . P D 2
P3 P 0.6241(3) 0.6630(2) 0.4346(3) 0.0234(6) Uani 0.54 1 d . . P A 2
P4 P 0.7294(8) 0.6105(6) 0.5083(8) 0.0263(12) Uani 0.54 1 d . . P A 2
F5B F 0.9001(14) 0.1956(7) 0.4630(9) 0.081(4) Uani 0.32 1 d . U P C 2
O9A O 0.8767(3) 0.13599(19) 0.5893(2) 0.0334(9) Uani 0.68 1 d . U P C 1
C29C C 0.941(3) 0.1254(12) 0.5663(16) 0.052(2) Uani 0.28 1 d D U P F 3
C32C C 0.9173(9) 0.1232(8) 0.4828(9) 0.062(2) Uani 0.28 1 d D U P F 3
F8C F 0.8356(7) 0.1028(8) 0.4514(6) 0.106(4) Uani 0.28 1 d D U P F 3
F9C F 0.9645(8) 0.1010(8) 0.4525(6) 0.094(4) Uani 0.28 1 d D U P F 3
F7C F 0.8976(19) 0.1704(9) 0.4517(14) 0.098(6) Uani 0.28 1 d D U P F 3
C31C C 1.021(2) 0.1642(10) 0.6065(15) 0.056(3) Uani 0.28 1 d D U P F 3
F4C F 1.0611(7) 0.1431(8) 0.6736(7) 0.058(3) Uani 0.28 1 d D U P F 3
F5C F 0.9929(10) 0.2161(6) 0.6014(9) 0.079(4) Uani 0.28 1 d D U P F 3
C30C C 0.9766(13) 0.0589(10) 0.5896(11) 0.069(3) Uani 0.28 1 d D U P F 3
F3C F 0.9873(10) 0.0473(6) 0.6584(9) 0.101(4) Uani 0.28 1 d D U P F 3
F1C F 1.0563(8) 0.0495(6) 0.5868(9) 0.089(4) Uani 0.28 1 d D U P F 3
F2C F 0.9236(10) 0.0221(7) 0.5429(13) 0.104(4) Uani 0.28 1 d D U P F 3
C35C C 0.7591(7) 0.1471(6) 0.7947(5) 0.046(2) Uani 0.33 1 d D U P G 3
F15C F 0.6854(6) 0.1706(4) 0.7574(6) 0.0425(17) Uani 0.33 1 d D U P G 3
F14C F 0.7538(8) 0.0885(5) 0.8034(7) 0.062(3) Uani 0.33 1 d . U P G 3
C34C C 0.8939(14) 0.1128(7) 0.7860(14) 0.055(5) Uani 0.33 1 d . U P H 3
F10C F 0.9669(4) 0.1254(4) 0.7653(4) 0.070(2) Uani 0.33 1 d . . P H 3
F11C F 0.8780(6) 0.0593(4) 0.7567(4) 0.061(2) Uani 0.33 1 d . . P H 3
C36C C 0.8646(15) 0.2155(12) 0.7652(19) 0.041(5) Uani 0.33 1 d . U P I 3
F17C F 0.9012(8) 0.2258(5) 0.7173(7) 0.087(4) Uani 0.33 1 d . . P I 3
F16C F 0.7985(6) 0.2530(3) 0.7490(6) 0.064(2) Uani 0.33 1 d . . P I 3
C45B C 0.9126(13) 0.4919(10) 0.5712(15) 0.096(5) Uani 0.2 1 d D U P J 2
H45D H 0.960177 0.500670 0.554570 0.144 Uiso 0.2 1 calc R U P J 2
H45E H 0.900104 0.525988 0.595934 0.144 Uiso 0.2 1 calc R U P J 2
H45F H 0.861091 0.481477 0.527557 0.144 Uiso 0.2 1 calc R U P J 2
C46B C 0.9375(9) 0.4422(9) 0.6255(13) 0.091(3) Uani 0.2 1 d D U P J 2
C47B C 0.9250(14) 0.3883(9) 0.5954(15) 0.080(3) Uani 0.2 1 d D U P J 2
H47B H 0.901604 0.383742 0.542269 0.096 Uiso 0.2 1 calc R U P J 2
C48B C 0.9453(15) 0.3408(9) 0.6400(15) 0.074(3) Uani 0.2 1 d D U P J 2
H48B H 0.936696 0.302484 0.620436 0.089 Uiso 0.2 1 calc R U P J 2
C49B C 0.9801(13) 0.3525(10) 0.7170(15) 0.087(4) Uani 0.2 1 d D U P J 2
H49B H 0.996356 0.320477 0.750401 0.105 Uiso 0.2 1 calc R U P J 2
C50B C 0.9925(15) 0.4073(10) 0.7482(14) 0.105(4) Uani 0.2 1 d D U P J 2
H50B H 1.015954 0.412305 0.801192 0.126 Uiso 0.2 1 calc R U P J 2
C51B C 0.9699(14) 0.4553(10) 0.7000(14) 0.108(4) Uani 0.2 1 d D U P J 2
H51B H 0.976718 0.494078 0.717992 0.130 Uiso 0.2 1 calc R U P J 2
C43C C 0.634(3) 0.0080(17) 0.505(2) 0.066(7) Uani 0.21 1 d . U P K 3
F32C F 0.5822(11) 0.0449(8) 0.5258(13) 0.107(6) Uani 0.21 1 d . U P K 3
F33C F 0.5921(15) -0.0421(10) 0.4853(15) 0.077(7) Uani 0.21 1 d . U P K 3
F31C F 0.6542(17) 0.0297(12) 0.4471(14) 0.072(7) Uani 0.21 1 d . U P K 3
C44C C 0.687(2) -0.0085(15) 0.639(2) 0.062(5) Uani 0.21 1 d . U P L 3
F36C F 0.762(2) -0.0265(11) 0.7025(19) 0.080(5) Uani 0.21 1 d . U P L 3
F34C F 0.6284(15) -0.0483(10) 0.6279(13) 0.090(6) Uani 0.21 1 d . U P L 3
F35C F 0.6726(13) 0.0392(8) 0.6692(12) 0.092(5) Uani 0.21 1 d . U P L 3
O11B O 0.7008(4) 0.1815(3) 0.5477(3) 0.0297(12) Uani 0.33 1 d . . P C 2
C40C C 0.5418(15) 0.1660(10) 0.4879(11) 0.070(3) Uani 0.17 1 d D U P C 3
F27C F 0.5512(10) 0.1152(7) 0.4536(10) 0.076(3) Uani 0.17 1 d D U P C 3
F25C F 0.4724(12) 0.1889(9) 0.4377(11) 0.084(4) Uani 0.17 1 d D U P C 3
F26C F 0.5650(15) 0.1866(11) 0.5576(12) 0.083(4) Uani 0.17 1 d D U P C 3
C39C C 0.6188(14) 0.2647(13) 0.4843(11) 0.088(3) Uani 0.17 1 d D U P C 3
F22C F 0.6796(14) 0.2993(9) 0.4777(13) 0.096(6) Uani 0.17 1 d D U P C 3
F23C F 0.5921(15) 0.2787(8) 0.5405(11) 0.107(5) Uani 0.17 1 d D U P C 3
F24C F 0.5475(13) 0.2650(10) 0.4193(11) 0.124(6) Uani 0.17 1 d D U P C 3
C38C C 0.6526(13) 0.1899(8) 0.4125(13) 0.068(3) Uani 0.17 1 d D U P C 3
F21C F 0.7122(13) 0.2282(8) 0.4098(10) 0.079(4) Uani 0.17 1 d D U P C 3
F19C F 0.5808(14) 0.1845(10) 0.3535(10) 0.069(4) Uani 0.17 1 d D U P C 3
F20C F 0.6925(14) 0.1393(8) 0.4201(11) 0.079(5) Uani 0.17 1 d D U P C 3
F13A F 0.6823(8) 0.1401(7) 0.7589(7) 0.091(4) Uani 0.31 1 d . U P C 1
F13C F 0.7887(14) 0.1602(7) 0.8648(8) 0.065(3) Uani 0.33 1 d . U P G 3


_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
Mo1 Mo2 3.0565(3) . ?
Mo1 P2 2.4547(7) . ?
Mo1 P1 2.4976(7) . ?
Mo1 C3A 2.27(2) . ?
Mo1 C7A 2.013(7) . ?
Mo1 C4A 2.286(18) . ?
Mo1 C1A 2.283(7) . ?
Mo1 C6A 2.041(5) . ?
Mo1 C5A 2.247(4) . ?
Mo1 C2A 2.292(4) . ?
Mo1 C6B 2.140(14) . ?
Mo1 C1B 2.34(4) . ?
Mo1 C5B 2.25(4) . ?
Mo1 C4B 2.273(8) . ?
Mo1 C2B 2.314(9) . ?
Mo1 C3B 2.285(9) . ?
Mo1 C7B 1.984(13) . ?
Mo3 Mo4 3.0933(3) . ?
Mo3 Sb2 2.655(4) . ?
Mo3 Sb1 2.7959(15) . ?
Mo3 C20 1.978(3) . ?
Mo3 C21 1.987(3) . ?
Mo3 C19 2.286(3) . ?
Mo3 C17 2.340(3) . ?
Mo3 C18 2.301(3) . ?
Mo3 C15 2.324(3) . ?
Mo3 C16 2.362(3) . ?
Mo3 P3 2.564(5) . ?
Mo3 P4 2.510(13) . ?
Mo4 Sb2 2.739(4) . ?
Mo4 Sb1 2.6673(16) . ?
Mo4 C28 1.992(3) . ?
Mo4 C27 1.981(3) . ?
Mo4 C26 2.313(3) . ?
Mo4 C24 2.301(3) . ?
Mo4 C25 2.284(3) . ?
Mo4 C22 2.369(3) . ?
Mo4 C23 2.350(3) . ?
Mo4 P3 2.523(6) . ?
Mo4 P4 2.632(15) . ?
Mo2 P2 2.5037(7) . ?
Mo2 P1 2.4652(8) . ?
Mo2 C13 2.007(4) . ?
Mo2 C14 1.993(3) . ?
Mo2 C11 2.343(4) . ?
Mo2 C12 2.354(3) . ?
Mo2 C8 2.304(4) . ?
Mo2 C10 2.299(4) . ?
Mo2 C9 2.285(4) . ?
Cu1 Sb2 2.536(4) . ?
Cu1 Sb1 2.5669(16) . ?
Cu1 P2 2.2755(7) . ?
Cu1 P1 2.2591(7) 3_666 ?
Cu1 P3 2.420(6) . ?
Cu1 P4 2.459(14) . ?
Sb2 Sb1 2.746(4) . ?
P2 P1 2.0889(10) . ?
Al1 O11A 1.709(3) . ?
Al1 O10A 1.666(3) . ?
Al1 O12A 1.797(3) . ?
Al1 O12B 1.599(6) . ?
Al1 O10B 1.814(6) . ?
Al1 O9B 1.659(10) . ?
Al1 O9A 1.730(5) . ?
Al1 O11B 1.827(6) . ?
O5 C20 1.147(3) . ?
O7 C27 1.141(4) . ?
O8 C28 1.140(4) . ?
O6 C21 1.142(4) . ?
O4 C14 1.137(4) . ?
O3 C13 1.136(4) . ?
O2A C7A 1.146(8) . ?
O11A C37 1.362(4) . ?
F21A C38A 1.305(6) . ?
F26A C40A 1.407(8) . ?
F20A C38A 1.349(7) . ?
F27A C40A 1.287(9) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.42(3) . ?
C3A C2A 1.425(17) . ?
C19 H19 0.9500 . ?
C19 C18 1.411(6) . ?
C19 C15 1.416(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.411(5) . ?
C17 C16 1.411(6) . ?
C18 H18 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.401(5) . ?
F19A C38A 1.328(6) . ?
C16 H16 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.413(5) . ?
C26 C22 1.405(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.407(6) . ?
C24 C23 1.398(5) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.397(15) . ?
C25 H25 0.9500 . ?
O1A C6A 1.135(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.416(5) . ?
F23A C39A 1.349(8) . ?
F25A C40A 1.314(8) . ?
C23 H23 0.9500 . ?
F22A C39A 1.303(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.414(6) . ?
C11 C10 1.398(6) . ?
C12 H12 0.9500 . ?
C12 C8 1.396(6) . ?
C1A H1A 0.9500 . ?
C1A C5A 1.404(8) . ?
C1A C2A 1.404(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.404(7) . ?
C10 H10 0.9500 . ?
C10 C9 1.413(7) . ?
C5A H5A 0.9500 . ?
C9 H9 0.9500 . ?
C46A C47A 1.382(8) . ?
C46A C51A 1.359(9) . ?
C46A C45A 1.466(8) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.448(11) . ?
C2A H2A 0.9500 . ?
C40A C37 1.567(6) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.293(12) . ?
C38A C37 1.519(5) . ?
C51A H51A 0.9500 . ?
C51A C50A 1.383(11) . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C39A C37 1.560(6) . ?
C50A H50A 0.9500 . ?
C50A C49A 1.381(11) . ?
C49A H49A 0.9500 . ?
O10A C33A 1.350(8) . ?
C33A C35A 1.622(13) . ?
C33A C34A 1.555(18) . ?
C33A C36A 1.60(2) . ?
C35A F14A 1.283(14) . ?
C35A F15A 1.314(15) . ?
C35A F13A 1.43(2) . ?
C34A F10A 1.24(3) . ?
C34A F11A 1.26(2) . ?
C34A F12A 1.38(2) . ?
C36A F18A 1.29(3) . ?
C36A F16A 1.37(3) . ?
C36A F17A 1.31(4) . ?
O12A C41A 1.347(9) . ?
C41A C43A 1.607(14) . ?
C41A C42A 1.566(15) . ?
C41A C44A 1.566(19) . ?
C43A F32A 1.328(14) . ?
C43A F33A 1.322(14) . ?
C43A F31A 1.326(12) . ?
C42A F30A 1.313(6) . ?
C42A F28A 1.288(8) . ?
C42A F29A 1.351(6) . ?
C44A F36A 1.327(13) . ?
C44A F34A 1.304(14) . ?
C44A F35A 1.325(14) . ?
O12B C41B 1.35(3) . ?
C41B C42B 1.58(3) . ?
C41B C44B 1.55(3) . ?
C41B C43B 1.57(3) . ?
C42B F29B 1.349(15) . ?
C42B F30B 1.345(16) . ?
C42B F28B 1.378(19) . ?
C44B F34B 1.309(14) . ?
C44B F35B 1.292(14) . ?
C44B F36B 1.348(15) . ?
C43B F32B 1.301(15) . ?
C43B F33B 1.332(17) . ?
C43B F31B 1.36(2) . ?
C29A C32A 1.57(2) . ?
C29A C31A 1.49(2) . ?
C29A C30A 1.57(2) . ?
C29A O9A 1.35(4) . ?
C32A F8A 1.316(13) . ?
C32A F9A 1.326(12) . ?
C32A F7A 1.359(15) . ?
C31A F4A 1.355(15) . ?
C31A F5A 1.348(16) . ?
C31A F6A 1.369(19) . ?
C30A F3A 1.341(14) . ?
C30A F1A 1.336(12) . ?
C30A F2A 1.332(14) . ?
O10B C33B 1.342(13) . ?
C33B C35B 1.635(18) . ?
C33B C34B 1.523(15) . ?
C33B C36B 1.491(16) . ?
C35B F15B 1.320(12) . ?
C35B F13B 1.276(12) . ?
C35B F14B 1.331(11) . ?
C34B F11B 1.311(15) . ?
C34B F12B 1.330(15) . ?
C34B F10B 1.344(12) . ?
C36B F18B 1.316(14) . ?
C36B F16B 1.366(15) . ?
C36B F17B 1.358(13) . ?
C37 C38B 1.542(9) . ?
C37 C40B 1.557(9) . ?
C37 C39B 1.555(9) . ?
C37 O11B 1.223(6) . ?
C37 C40C 1.75(3) . ?
C37 C39C 1.57(3) . ?
C37 C38C 1.66(3) . ?
C38B F21B 1.338(14) . ?
C38B F19B 1.378(13) . ?
C38B F20B 1.349(14) . ?
C40B F26B 1.384(13) . ?
C40B F27B 1.395(12) . ?
C40B F25B 1.371(13) . ?
C39B F24B 1.416(13) . ?
C39B F22B 1.360(13) . ?
C39B F23B 1.399(13) . ?
O9B C29B 1.30(4) . ?
C29B C30B 1.66(2) . ?
C29B C32B 1.55(3) . ?
C29B C31B 1.63(2) . ?
C30B F1B 1.333(15) . ?
C30B F2B 1.325(14) . ?
C30B F3B 1.332(14) . ?
C32B F8B 1.310(15) . ?
C32B F9B 1.385(18) . ?
C32B F7B 1.327(14) . ?
C31B F6B 1.316(13) . ?
C31B F4B 1.280(15) . ?
C31B F5B 1.26(2) . ?
O1B C6B 1.123(15) . ?
C1B H1B 0.9500 . ?
C1B C5B 1.36(5) . ?
C1B C2B 1.30(3) . ?
C5B H5B 0.9500 . ?
C5B C4B 1.43(4) . ?
C4B H4B 0.9500 . ?
C4B C3B 1.411(16) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.402(14) . ?
C3B H3B 0.9500 . ?
C7B O2B 1.145(17) . ?
P3 P4 2.170(12) . ?
C29C C32C 1.50(3) . ?
C29C C31C 1.55(3) . ?
C29C C30C 1.64(3) . ?
C32C F8C 1.354(16) . ?
C32C F9C 1.248(16) . ?
C32C F7C 1.23(2) . ?
C31C F4C 1.30(2) . ?
C31C F5C 1.27(2) . ?
C30C F3C 1.29(2) . ?
C30C F1C 1.368(18) . ?
C30C F2C 1.31(2) . ?
C35C F15C 1.288(14) . ?
C35C F14C 1.371(18) . ?
C35C F13C 1.282(18) . ?
C34C F10C 1.44(3) . ?
C34C F11C 1.341(19) . ?
C36C F17C 1.30(3) . ?
C36C F16C 1.34(3) . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C45B C46B 1.500(18) . ?
C46B C47B 1.355(18) . ?
C46B C51B 1.358(18) . ?
C47B H47B 0.9500 . ?
C47B C48B 1.353(19) . ?
C48B H48B 0.9500 . ?
C48B C49B 1.396(18) . ?
C49B H49B 0.9500 . ?
C49B C50B 1.380(18) . ?
C50B H50B 0.9500 . ?
C50B C51B 1.402(19) . ?
C51B H51B 0.9500 . ?
C43C F32C 1.38(4) . ?
C43C F33C 1.33(4) . ?
C43C F31C 1.36(4) . ?
C44C F36C 1.44(5) . ?
C44C F34C 1.30(3) . ?
C44C F35C 1.31(4) . ?
C40C F27C 1.383(15) . ?
C40C F25C 1.311(15) . ?
C40C F26C 1.330(15) . ?
C39C F22C 1.334(16) . ?
C39C F23C 1.348(16) . ?
C39C F24C 1.365(16) . ?
C38C F21C 1.347(15) . ?
C38C F19C 1.311(15) . ?
C38C F20C 1.325(15) . ?

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
P2 Mo1 Mo2 52.671(18) . . ?
P2 Mo1 P1 49.89(2) . . ?
P1 Mo1 Mo2 51.507(19) . . ?
C3A Mo1 Mo2 139.0(5) . . ?
C3A Mo1 P2 104.5(5) . . ?
C3A Mo1 P1 143.9(5) . . ?
C3A Mo1 C4A 36.3(7) . . ?
C3A Mo1 C1A 59.2(4) . . ?
C3A Mo1 C2A 36.4(4) . . ?
C7A Mo1 Mo2 82.31(17) . . ?
C7A Mo1 P2 124.49(18) . . ?
C7A Mo1 P1 77.90(18) . . ?
C7A Mo1 C3A 130.8(6) . . ?
C7A Mo1 C4A 94.5(4) . . ?
C7A Mo1 C1A 106.2(3) . . ?
C7A Mo1 C6A 90.4(2) . . ?
C7A Mo1 C5A 82.0(2) . . ?
C7A Mo1 C2A 140.7(2) . . ?
C4A Mo1 Mo2 155.0(3) . . ?
C4A Mo1 P2 140.2(4) . . ?
C4A Mo1 P1 152.1(3) . . ?
C4A Mo1 C2A 61.7(4) . . ?
C1A Mo1 Mo2 143.97(15) . . ?
C1A Mo1 P2 97.06(18) . . ?
C1A Mo1 P1 95.22(16) . . ?
C1A Mo1 C4A 60.8(4) . . ?
C1A Mo1 C2A 35.7(2) . . ?
C6A Mo1 Mo2 69.25(15) . . ?
C6A Mo1 P2 99.96(13) . . ?
C6A Mo1 P1 120.48(15) . . ?
C6A Mo1 C3A 85.1(4) . . ?
C6A Mo1 C4A 86.0(3) . . ?
C6A Mo1 C1A 143.3(2) . . ?
C6A Mo1 C5A 119.47(18) . . ?
C6A Mo1 C2A 116.4(2) . . ?
C5A Mo1 Mo2 162.10(12) . . ?
C5A Mo1 P2 133.16(11) . . ?
C5A Mo1 P1 116.24(12) . . ?
C5A Mo1 C3A 58.8(5) . . ?
C5A Mo1 C4A 35.9(3) . . ?
C5A Mo1 C1A 36.1(2) . . ?
C5A Mo1 C2A 60.13(16) . . ?
C2A Mo1 Mo2 132.58(12) . . ?
C2A Mo1 P2 80.95(12) . . ?
C2A Mo1 P1 108.00(13) . . ?
C6B Mo1 Mo2 131.6(3) . . ?
C6B Mo1 P2 88.4(3) . . ?
C6B Mo1 P1 82.3(3) . . ?
C6B Mo1 C1B 78.6(7) . . ?
C6B Mo1 C5B 80.7(8) . . ?
C6B Mo1 C4B 114.4(4) . . ?
C6B Mo1 C2B 108.1(5) . . ?
C6B Mo1 C3B 135.3(4) . . ?
C1B Mo1 Mo2 132.1(8) . . ?
C1B Mo1 P2 103.4(9) . . ?
C1B Mo1 P1 147.6(8) . . ?
C5B Mo1 Mo2 147.0(7) . . ?
C5B Mo1 P2 137.8(10) . . ?
C5B Mo1 P1 161.0(7) . . ?
C5B Mo1 C1B 34.5(13) . . ?
C5B Mo1 C4B 36.9(9) . . ?
C5B Mo1 C2B 55.3(8) . . ?
C5B Mo1 C3B 57.8(7) . . ?
C4B Mo1 Mo2 113.6(3) . . ?
C4B Mo1 P2 146.2(3) . . ?
C4B Mo1 P1 151.6(3) . . ?
C4B Mo1 C1B 60.8(9) . . ?
C4B Mo1 C2B 59.5(4) . . ?
C4B Mo1 C3B 36.1(4) . . ?
C2B Mo1 Mo2 100.8(3) . . ?
C2B Mo1 P2 90.8(3) . . ?
C2B Mo1 P1 139.7(3) . . ?
C2B Mo1 C1B 32.4(8) . . ?
C3B Mo1 Mo2 89.3(3) . . ?
C3B Mo1 P2 110.3(3) . . ?
C3B Mo1 P1 140.8(3) . . ?
C3B Mo1 C1B 58.0(7) . . ?
C3B Mo1 C2B 35.5(4) . . ?
C7B Mo1 Mo2 92.3(4) . . ?
C7B Mo1 P2 123.5(4) . . ?
C7B Mo1 P1 73.7(4) . . ?
C7B Mo1 C6B 87.0(5) . . ?
C7B Mo1 C1B 130.5(10) . . ?
C7B Mo1 C5B 96.7(10) . . ?
C7B Mo1 C4B 84.1(5) . . ?
C7B Mo1 C2B 143.5(4) . . ?
C7B Mo1 C3B 112.0(5) . . ?
Sb2 Mo3 Mo4 56.30(10) . . ?
Sb2 Mo3 Sb1 60.43(9) . . ?
Sb1 Mo3 Mo4 53.57(4) . . ?
C20 Mo3 Mo4 129.21(8) . . ?
C20 Mo3 Sb2 88.04(13) . . ?
C20 Mo3 Sb1 78.43(9) . . ?
C20 Mo3 C21 89.98(13) . . ?
C20 Mo3 C19 86.52(12) . . ?
C20 Mo3 C17 112.35(14) . . ?
C20 Mo3 C18 82.01(13) . . ?
C20 Mo3 C15 120.62(12) . . ?
C20 Mo3 C16 140.19(13) . . ?
C20 Mo3 P3 78.51(15) . . ?
C20 Mo3 P4 87.1(4) . . ?
C21 Mo3 Mo4 87.81(9) . . ?
C21 Mo3 Sb2 129.02(12) . . ?
C21 Mo3 Sb1 69.29(9) . . ?
C21 Mo3 C19 95.09(14) . . ?
C21 Mo3 C17 142.79(15) . . ?
C21 Mo3 C18 130.37(14) . . ?
C21 Mo3 C15 84.65(14) . . ?
C21 Mo3 C16 110.11(15) . . ?
C21 Mo3 P3 75.27(13) . . ?
C21 Mo3 P4 125.3(3) . . ?
C19 Mo3 Mo4 144.21(9) . . ?
C19 Mo3 Sb2 135.54(14) . . ?
C19 Mo3 Sb1 158.06(11) . . ?
C19 Mo3 C17 58.98(14) . . ?
C19 Mo3 C18 35.84(14) . . ?
C19 Mo3 C15 35.77(12) . . ?
C19 Mo3 C16 58.60(13) . . ?
C19 Mo3 P3 162.06(16) . . ?
C19 Mo3 P4 139.1(3) . . ?
C17 Mo3 Mo4 98.87(10) . . ?
C17 Mo3 Sb2 82.92(13) . . ?
C17 Mo3 Sb1 141.96(11) . . ?
C17 Mo3 C16 34.93(14) . . ?
C17 Mo3 P3 136.34(14) . . ?
C17 Mo3 P4 86.7(3) . . ?
C18 Mo3 Mo4 133.82(10) . . ?
C18 Mo3 Sb2 99.72(14) . . ?
C18 Mo3 Sb1 152.32(11) . . ?
C18 Mo3 C17 35.38(14) . . ?
C18 Mo3 C15 59.37(14) . . ?
C18 Mo3 C16 58.63(14) . . ?
C18 Mo3 P3 147.77(15) . . ?
C18 Mo3 P4 103.2(3) . . ?
C15 Mo3 Mo4 109.66(9) . . ?
C15 Mo3 Sb2 137.75(13) . . ?
C15 Mo3 Sb1 148.29(10) . . ?
C15 Mo3 C17 58.55(15) . . ?
C15 Mo3 C16 34.78(13) . . ?
C15 Mo3 P3 152.54(15) . . ?
C15 Mo3 P4 141.0(3) . . ?
C16 Mo3 Mo4 86.89(9) . . ?
C16 Mo3 Sb2 103.26(14) . . ?
C16 Mo3 Sb1 140.28(10) . . ?
C16 Mo3 P3 138.74(16) . . ?
C16 Mo3 P4 106.3(3) . . ?
P3 Mo3 Mo4 51.96(13) . . ?
P4 Mo3 Mo4 54.8(3) . . ?
P4 Mo3 P3 50.6(3) . . ?
Sb2 Mo4 Mo3 53.74(9) . . ?
Sb1 Mo4 Mo3 57.50(3) . . ?
Sb1 Mo4 Sb2 61.03(9) . . ?
C28 Mo4 Mo3 85.00(9) . . ?
C28 Mo4 Sb2 71.17(12) . . ?
C28 Mo4 Sb1 130.58(9) . . ?
C28 Mo4 C26 84.45(14) . . ?
C28 Mo4 C24 128.36(15) . . ?
C28 Mo4 C25 93.34(14) . . ?
C28 Mo4 C22 110.96(14) . . ?
C28 Mo4 C23 142.70(13) . . ?
C28 Mo4 P3 123.21(11) . . ?
C28 Mo4 P4 74.9(3) . . ?
C27 Mo4 Mo3 127.26(8) . . ?
C27 Mo4 Sb2 74.49(12) . . ?
C27 Mo4 Sb1 91.10(10) . . ?
C27 Mo4 C28 87.65(14) . . ?
C27 Mo4 C26 122.34(12) . . ?
C27 Mo4 C24 83.86(13) . . ?
C27 Mo4 C25 88.23(12) . . ?
C27 Mo4 C22 141.96(12) . . ?
C27 Mo4 C23 113.39(13) . . ?
C27 Mo4 P3 90.20(16) . . ?
C27 Mo4 P4 76.4(3) . . ?
C26 Mo4 Mo3 108.79(9) . . ?
C26 Mo4 Sb2 150.29(13) . . ?
C26 Mo4 Sb1 134.61(11) . . ?
C26 Mo4 C22 34.90(13) . . ?
C26 Mo4 C23 58.36(14) . . ?
C26 Mo4 P3 139.72(15) . . ?
C26 Mo4 P4 151.8(3) . . ?
C24 Mo4 Mo3 138.06(10) . . ?
C24 Mo4 Sb2 150.60(13) . . ?
C24 Mo4 Sb1 100.51(12) . . ?
C24 Mo4 C26 59.00(14) . . ?
C24 Mo4 C22 58.42(12) . . ?
C24 Mo4 C23 34.98(13) . . ?
C24 Mo4 P3 107.70(14) . . ?
C24 Mo4 P4 149.1(3) . . ?
C25 Mo4 Mo3 144.25(9) . . ?
C25 Mo4 Sb2 156.92(13) . . ?
C25 Mo4 Sb1 136.03(11) . . ?
C25 Mo4 C26 35.80(13) . . ?
C25 Mo4 C24 35.74(15) . . ?
C25 Mo4 C22 58.87(13) . . ?
C25 Mo4 C23 58.86(15) . . ?
C25 Mo4 P3 143.32(14) . . ?
C25 Mo4 P4 160.8(3) . . ?
C22 Mo4 Mo3 88.39(9) . . ?
C22 Mo4 Sb2 142.10(13) . . ?
C22 Mo4 Sb1 99.81(10) . . ?
C22 Mo4 P3 104.85(15) . . ?
C22 Mo4 P4 139.3(3) . . ?
C23 Mo4 Mo3 103.20(10) . . ?
C23 Mo4 Sb2 142.25(13) . . ?
C23 Mo4 Sb1 81.54(10) . . ?
C23 Mo4 C22 34.93(13) . . ?
C23 Mo4 P3 88.62(13) . . ?
C23 Mo4 P4 138.1(3) . . ?
P3 Mo4 Mo3 53.14(12) . . ?
P3 Mo4 P4 49.7(3) . . ?
P4 Mo4 Mo3 51.2(3) . . ?
P2 Mo2 Mo1 51.224(16) . . ?
P1 Mo2 Mo1 52.463(17) . . ?
P1 Mo2 P2 49.71(2) . . ?
C13 Mo2 Mo1 89.39(11) . . ?
C13 Mo2 P2 75.54(10) . . ?
C13 Mo2 P1 124.62(10) . . ?
C13 Mo2 C11 142.78(15) . . ?
C13 Mo2 C12 110.22(15) . . ?
C13 Mo2 C8 84.59(16) . . ?
C13 Mo2 C10 129.8(2) . . ?
C13 Mo2 C9 94.4(2) . . ?
C14 Mo2 Mo1 128.79(9) . . ?
C14 Mo2 P2 78.95(9) . . ?
C14 Mo2 P1 88.43(10) . . ?
C14 Mo2 C13 88.73(15) . . ?
C14 Mo2 C11 111.63(14) . . ?
C14 Mo2 C12 138.48(14) . . ?
C14 Mo2 C8 117.87(16) . . ?
C14 Mo2 C10 81.00(15) . . ?
C14 Mo2 C9 84.01(15) . . ?
C11 Mo2 Mo1 99.91(12) . . ?
C11 Mo2 P2 137.07(12) . . ?
C11 Mo2 P1 88.07(12) . . ?
C11 Mo2 C12 35.03(14) . . ?
C12 Mo2 Mo1 89.27(11) . . ?
C12 Mo2 P2 140.45(12) . . ?
C12 Mo2 P1 107.83(12) . . ?
C8 Mo2 Mo1 112.86(14) . . ?
C8 Mo2 P2 153.90(14) . . ?
C8 Mo2 P1 142.54(13) . . ?
C8 Mo2 C11 58.53(17) . . ?
C8 Mo2 C12 34.85(16) . . ?
C10 Mo2 Mo1 134.21(14) . . ?
C10 Mo2 P2 147.11(14) . . ?
C10 Mo2 P1 104.17(16) . . ?
C10 Mo2 C11 35.04(16) . . ?
C10 Mo2 C12 58.28(15) . . ?
C10 Mo2 C8 58.88(19) . . ?
C9 Mo2 Mo1 147.11(12) . . ?
C9 Mo2 P2 160.31(13) . . ?
C9 Mo2 P1 140.06(17) . . ?
C9 Mo2 C11 59.18(19) . . ?
C9 Mo2 C12 58.77(17) . . ?
C9 Mo2 C8 35.61(17) . . ?
C9 Mo2 C10 35.91(19) . . ?
Sb2 Cu1 Sb1 65.11(9) . . ?
P2 Cu1 Sb2 101.57(10) . . ?
P2 Cu1 Sb1 138.56(4) . . ?
P2 Cu1 P3 135.32(14) . . ?
P2 Cu1 P4 104.4(3) . . ?
P1 Cu1 Sb2 134.68(11) 3_666 . ?
P1 Cu1 Sb1 104.36(4) 3_666 . ?
P1 Cu1 P2 110.99(3) 3_666 . ?
P1 Cu1 P3 110.44(11) 3_666 . ?
P1 Cu1 P4 135.1(4) 3_666 . ?
P3 Cu1 P4 52.8(3) . . ?
Mo3 Sb2 Mo4 69.96(10) . . ?
Mo3 Sb2 Sb1 62.33(9) . . ?
Mo4 Sb2 Sb1 58.19(9) . . ?
Cu1 Sb2 Mo3 107.74(14) . . ?
Cu1 Sb2 Mo4 105.96(13) . . ?
Cu1 Sb2 Sb1 57.99(9) . . ?
Mo4 Sb1 Mo3 68.92(3) . . ?
Mo4 Sb1 Sb2 60.78(10) . . ?
Cu1 Sb1 Mo3 102.78(4) . . ?
Cu1 Sb1 Mo4 107.21(5) . . ?
Cu1 Sb1 Sb2 56.90(9) . . ?
Sb2 Sb1 Mo3 57.24(9) . . ?
Mo1 P2 Mo2 76.10(2) . . ?
Cu1 P2 Mo1 158.75(4) . . ?
Cu1 P2 Mo2 125.02(3) . . ?
P1 P2 Mo1 66.12(3) . . ?
P1 P2 Mo2 64.19(3) . . ?
P1 P2 Cu1 122.21(4) . . ?
Mo2 P1 Mo1 76.03(2) . . ?
Cu1 P1 Mo1 148.59(4) 3_666 . ?
Cu1 P1 Mo2 135.11(3) 3_666 . ?
P2 P1 Mo1 63.99(3) . . ?
P2 P1 Mo2 66.10(3) . . ?
P2 P1 Cu1 125.74(4) . 3_666 ?
O11A Al1 O12A 105.34(15) . . ?
O11A Al1 O9A 113.8(2) . . ?
O10A Al1 O11A 110.54(17) . . ?
O10A Al1 O12A 111.78(17) . . ?
O10A Al1 O9A 110.90(18) . . ?
O12B Al1 O10B 114.5(3) . . ?
O12B Al1 O9B 116.3(4) . . ?
O12B Al1 O11B 106.3(3) . . ?
O10B Al1 O11B 98.5(3) . . ?
O9B Al1 O10B 106.6(3) . . ?
O9B Al1 O11B 113.4(4) . . ?
O9A Al1 O12A 104.26(19) . . ?
O5 C20 Mo3 174.5(3) . . ?
C37 O11A Al1 146.9(3) . . ?
O8 C28 Mo4 176.1(3) . . ?
O7 C27 Mo4 176.8(3) . . ?
O6 C21 Mo3 175.3(3) . . ?
Mo1 C3A H3A 122.3 . . ?
C4A C3A Mo1 72.3(11) . . ?
C4A C3A H3A 124.4 . . ?
C4A C3A C2A 111.2(12) . . ?
C2A C3A Mo1 72.5(8) . . ?
C2A C3A H3A 124.4 . . ?
O3 C13 Mo2 177.7(3) . . ?
Mo3 C19 H19 119.7 . . ?
C18 C19 Mo3 72.68(19) . . ?
C18 C19 H19 125.9 . . ?
C18 C19 C15 108.2(3) . . ?
C15 C19 Mo3 73.59(18) . . ?
C15 C19 H19 125.9 . . ?
O4 C14 Mo2 176.2(3) . . ?
Mo3 C17 H17 121.5 . . ?
C18 C17 Mo3 70.83(19) . . ?
C18 C17 H17 126.0 . . ?
C18 C17 C16 108.1(4) . . ?
C16 C17 Mo3 73.4(2) . . ?
C16 C17 H17 126.0 . . ?
Mo3 C18 H18 120.4 . . ?
C19 C18 Mo3 71.48(19) . . ?
C19 C18 H18 126.2 . . ?
C17 C18 Mo3 73.8(2) . . ?
C17 C18 C19 107.6(4) . . ?
C17 C18 H18 126.2 . . ?
Mo3 C15 H15 120.9 . . ?
C19 C15 Mo3 70.64(18) . . ?
C19 C15 H15 126.1 . . ?
C16 C15 Mo3 74.08(19) . . ?
C16 C15 C19 107.7(4) . . ?
C16 C15 H15 126.1 . . ?
O2A C7A Mo1 171.8(5) . . ?
Mo3 C16 H16 123.0 . . ?
C17 C16 Mo3 71.67(19) . . ?
C17 C16 H16 125.8 . . ?
C15 C16 Mo3 71.14(18) . . ?
C15 C16 C17 108.4(3) . . ?
C15 C16 H16 125.8 . . ?
Mo4 C26 H26 120.3 . . ?
C25 C26 Mo4 70.99(18) . . ?
C25 C26 H26 125.7 . . ?
C22 C26 Mo4 74.74(18) . . ?
C22 C26 H26 125.7 . . ?
C22 C26 C25 108.6(4) . . ?
Mo4 C24 H24 120.1 . . ?
C25 C24 Mo4 71.47(19) . . ?
C25 C24 H24 125.7 . . ?
C23 C24 Mo4 74.4(2) . . ?
C23 C24 H24 125.7 . . ?
C23 C24 C25 108.6(3) . . ?
Mo1 C4A H4A 122.0 . . ?
C3A C4A Mo1 71.4(10) . . ?
C3A C4A H4A 128.0 . . ?
C5A C4A Mo1 70.6(7) . . ?
C5A C4A C3A 104.1(11) . . ?
C5A C4A H4A 128.0 . . ?
Mo4 C25 H25 119.6 . . ?
C26 C25 Mo4 73.20(18) . . ?
C26 C25 H25 126.3 . . ?
C24 C25 Mo4 72.8(2) . . ?
C24 C25 C26 107.3(3) . . ?
C24 C25 H25 126.3 . . ?
Mo4 C22 H22 123.2 . . ?
C26 C22 Mo4 70.37(18) . . ?
C26 C22 H22 126.3 . . ?
C26 C22 C23 107.4(3) . . ?
C23 C22 Mo4 71.80(18) . . ?
C23 C22 H22 126.3 . . ?
Mo4 C23 H23 121.9 . . ?
C24 C23 Mo4 70.60(19) . . ?
C24 C23 C22 108.2(4) . . ?
C24 C23 H23 125.9 . . ?
C22 C23 Mo4 73.26(19) . . ?
C22 C23 H23 125.9 . . ?
Mo2 C11 H11 121.8 . . ?
C12 C11 Mo2 72.9(2) . . ?
C12 C11 H11 126.3 . . ?
C10 C11 Mo2 70.7(2) . . ?
C10 C11 H11 126.3 . . ?
C10 C11 C12 107.4(5) . . ?
Mo2 C12 H12 122.9 . . ?
C11 C12 Mo2 72.1(2) . . ?
C11 C12 H12 126.0 . . ?
C8 C12 Mo2 70.6(2) . . ?
C8 C12 C11 108.0(4) . . ?
C8 C12 H12 126.0 . . ?
Mo1 C1A H1A 122.7 . . ?
C5A C1A Mo1 70.6(3) . . ?
C5A C1A H1A 125.9 . . ?
C2A C1A Mo1 72.5(4) . . ?
C2A C1A H1A 125.9 . . ?
C2A C1A C5A 108.1(6) . . ?
O1A C6A Mo1 170.7(5) . . ?
Mo2 C8 H8 120.2 . . ?
C12 C8 Mo2 74.5(2) . . ?
C12 C8 H8 125.6 . . ?
C12 C8 C9 108.9(5) . . ?
C9 C8 Mo2 71.5(2) . . ?
C9 C8 H8 125.6 . . ?
Mo2 C10 H10 120.4 . . ?
C11 C10 Mo2 74.2(2) . . ?
C11 C10 H10 125.6 . . ?
C11 C10 C9 108.8(4) . . ?
C9 C10 Mo2 71.5(2) . . ?
C9 C10 H10 125.6 . . ?
Mo1 C5A H5A 120.3 . . ?
C4A C5A Mo1 73.6(7) . . ?
C4A C5A C1A 111.2(8) . . ?
C4A C5A H5A 124.4 . . ?
C1A C5A Mo1 73.3(3) . . ?
C1A C5A H5A 124.4 . . ?
Mo2 C9 H9 119.9 . . ?
C8 C9 Mo2 72.9(2) . . ?
C8 C9 C10 106.9(5) . . ?
C8 C9 H9 126.6 . . ?
C10 C9 Mo2 72.6(2) . . ?
C10 C9 H9 126.6 . . ?
C47A C46A C45A 121.0(7) . . ?
C51A C46A C47A 119.4(8) . . ?
C51A C46A C45A 119.5(6) . . ?
C46A C47A H47A 122.1 . . ?
C46A C47A C48A 115.8(7) . . ?
C48A C47A H47A 122.1 . . ?
Mo1 C2A H2A 121.7 . . ?
C3A C2A Mo1 71.1(8) . . ?
C3A C2A H2A 127.3 . . ?
C1A C2A Mo1 71.8(3) . . ?
C1A C2A C3A 105.4(9) . . ?
C1A C2A H2A 127.3 . . ?
F26A C40A C37 108.9(5) . . ?
F27A C40A F26A 100.5(6) . . ?
F27A C40A F25A 109.1(5) . . ?
F27A C40A C37 115.2(6) . . ?
F25A C40A F26A 106.4(6) . . ?
F25A C40A C37 115.4(6) . . ?
C47A C48A H48A 117.5 . . ?
C49A C48A C47A 125.1(8) . . ?
C49A C48A H48A 117.5 . . ?
F21A C38A F20A 107.2(4) . . ?
F21A C38A F19A 108.5(5) . . ?
F21A C38A C37 109.7(4) . . ?
F20A C38A C37 111.1(4) . . ?
F19A C38A F20A 107.8(5) . . ?
F19A C38A C37 112.4(4) . . ?
C46A C51A H51A 119.4 . . ?
C46A C51A C50A 121.1(8) . . ?
C50A C51A H51A 119.4 . . ?
C46A C45A H45A 109.5 . . ?
C46A C45A H45B 109.5 . . ?
C46A C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
F23A C39A C37 111.2(5) . . ?
F22A C39A F23A 105.9(5) . . ?
F22A C39A C37 113.3(4) . . ?
C51A C50A H50A 119.4 . . ?
C49A C50A C51A 121.2(9) . . ?
C49A C50A H50A 119.4 . . ?
C48A C49A C50A 117.1(9) . . ?
C48A C49A H49A 121.4 . . ?
C50A C49A H49A 121.4 . . ?
C33A O10A Al1 148.0(4) . . ?
O10A C33A C35A 105.1(7) . . ?
O10A C33A C34A 110.2(11) . . ?
O10A C33A C36A 107.5(13) . . ?
C34A C33A C35A 120.5(12) . . ?
C34A C33A C36A 111.9(15) . . ?
C36A C33A C35A 100.7(14) . . ?
F14A C35A C33A 119.9(11) . . ?
F14A C35A F15A 105.6(13) . . ?
F14A C35A F13A 117.2(13) . . ?
F15A C35A C33A 106.9(13) . . ?
F15A C35A F13A 104.9(15) . . ?
F13A C35A C33A 101.1(10) . . ?
F10A C34A C33A 105.4(15) . . ?
F10A C34A F11A 115(2) . . ?
F10A C34A F12A 108.4(16) . . ?
F11A C34A C33A 108.8(16) . . ?
F11A C34A F12A 108.2(17) . . ?
F12A C34A C33A 110.5(16) . . ?
F18A C36A C33A 111(2) . . ?
F18A C36A F16A 104(2) . . ?
F18A C36A F17A 110(2) . . ?
F16A C36A C33A 109.3(19) . . ?
F17A C36A C33A 115(2) . . ?
F17A C36A F16A 107(2) . . ?
C41A O12A Al1 147.9(6) . . ?
O12A C41A C43A 110.3(9) . . ?
O12A C41A C42A 108.4(8) . . ?
O12A C41A C44A 113.6(8) . . ?
C42A C41A C43A 105.1(7) . . ?
C44A C41A C43A 106.3(9) . . ?
C44A C41A C42A 112.7(9) . . ?
F32A C43A C41A 110.6(7) . . ?
F33A C43A C41A 113.0(9) . . ?
F33A C43A F32A 107.9(10) . . ?
F33A C43A F31A 107.3(8) . . ?
F31A C43A C41A 108.9(10) . . ?
F31A C43A F32A 109.0(10) . . ?
F30A C42A C41A 109.8(5) . . ?
F30A C42A F29A 105.4(5) . . ?
F28A C42A C41A 112.5(6) . . ?
F28A C42A F30A 110.4(6) . . ?
F28A C42A F29A 107.5(5) . . ?
F29A C42A C41A 111.0(6) . . ?
F36A C44A C41A 107.9(12) . . ?
F34A C44A C41A 115.0(8) . . ?
F34A C44A F36A 108.8(9) . . ?
F34A C44A F35A 109.1(12) . . ?
F35A C44A C41A 108.5(9) . . ?
F35A C44A F36A 107.3(10) . . ?
C41B O12B Al1 141.0(12) . . ?
O12B C41B C42B 108(2) . . ?
O12B C41B C44B 114(2) . . ?
O12B C41B C43B 110.5(13) . . ?
C44B C41B C42B 110.9(13) . . ?
C44B C41B C43B 108(2) . . ?
C43B C41B C42B 105.6(19) . . ?
F29B C42B C41B 112.2(13) . . ?
F29B C42B F28B 104.0(13) . . ?
F30B C42B C41B 112.6(17) . . ?
F30B C42B F29B 111.0(10) . . ?
F30B C42B F28B 109.5(10) . . ?
F28B C42B C41B 107.1(13) . . ?
F34B C44B C41B 110.3(11) . . ?
F34B C44B F36B 110.3(12) . . ?
F35B C44B C41B 109.9(15) . . ?
F35B C44B F34B 109.3(10) . . ?
F35B C44B F36B 106.4(12) . . ?
F36B C44B C41B 110.4(13) . . ?
F32B C43B C41B 110.6(13) . . ?
F32B C43B F33B 108.9(14) . . ?
F32B C43B F31B 109.3(13) . . ?
F33B C43B C41B 112.5(14) . . ?
F33B C43B F31B 106.1(13) . . ?
F31B C43B C41B 109.2(19) . . ?
C32A C29A C30A 105.8(15) . . ?
C31A C29A C32A 112.1(19) . . ?
C31A C29A C30A 110.5(19) . . ?
O9A C29A C32A 110.4(18) . . ?
O9A C29A C31A 109.0(17) . . ?
O9A C29A C30A 109.1(18) . . ?
F8A C32A C29A 113.4(15) . . ?
F8A C32A F9A 107.8(9) . . ?
F8A C32A F7A 106.4(11) . . ?
F9A C32A C29A 113.3(16) . . ?
F9A C32A F7A 106.7(10) . . ?
F7A C32A C29A 108.7(12) . . ?
F4A C31A C29A 106.0(13) . . ?
F4A C31A F6A 109.1(15) . . ?
F5A C31A C29A 110.5(17) . . ?
F5A C31A F4A 113.7(14) . . ?
F5A C31A F6A 105.1(11) . . ?
F6A C31A C29A 112.6(17) . . ?
F3A C30A C29A 110.1(13) . . ?
F1A C30A C29A 109.5(15) . . ?
F1A C30A F3A 108.7(11) . . ?
F2A C30A C29A 112.0(12) . . ?
F2A C30A F3A 108.0(11) . . ?
F2A C30A F1A 108.4(11) . . ?
C33B O10B Al1 152.8(8) . . ?
O10B C33B C35B 108.9(9) . . ?
O10B C33B C34B 110.0(9) . . ?
O10B C33B C36B 111.2(10) . . ?
C34B C33B C35B 108.3(10) . . ?
C36B C33B C35B 107.1(9) . . ?
C36B C33B C34B 111.2(10) . . ?
F15B C35B C33B 110.9(9) . . ?
F15B C35B F14B 108.4(8) . . ?
F13B C35B C33B 111.2(9) . . ?
F13B C35B F15B 108.8(8) . . ?
F13B C35B F14B 109.4(10) . . ?
F14B C35B C33B 108.0(8) . . ?
F11B C34B C33B 110.9(10) . . ?
F11B C34B F12B 103.8(11) . . ?
F11B C34B F10B 108.3(10) . . ?
F12B C34B C33B 112.5(10) . . ?
F12B C34B F10B 108.6(10) . . ?
F10B C34B C33B 112.4(9) . . ?
F18B C36B C33B 112.2(12) . . ?
F18B C36B F16B 105.9(9) . . ?
F18B C36B F17B 106.4(9) . . ?
F16B C36B C33B 113.8(10) . . ?
F17B C36B C33B 110.9(10) . . ?
F17B C36B F16B 107.2(12) . . ?
O11A C37 C40A 109.7(4) . . ?
O11A C37 C38A 110.5(3) . . ?
O11A C37 C39A 108.8(3) . . ?
C38A C37 C40A 110.1(4) . . ?
C38A C37 C39A 112.6(4) . . ?
C39A C37 C40A 104.9(4) . . ?
C38B C37 C40B 97.0(9) . . ?
C38B C37 C39B 114.9(9) . . ?
C39B C37 C40B 101.0(8) . . ?
O11B C37 C38B 119.4(7) . . ?
O11B C37 C40B 110.4(7) . . ?
O11B C37 C39B 111.2(7) . . ?
C39C C37 C40C 104.9(10) . . ?
C39C C37 C38C 95.9(10) . . ?
C38C C37 C40C 109.9(9) . . ?
F21B C38B C37 108.8(12) . . ?
F21B C38B F19B 104.9(10) . . ?
F21B C38B F20B 110.9(12) . . ?
F19B C38B C37 121.4(11) . . ?
F20B C38B C37 103.3(10) . . ?
F20B C38B F19B 107.5(10) . . ?
F26B C40B C37 113.5(11) . . ?
F26B C40B F27B 103.0(11) . . ?
F27B C40B C37 104.5(7) . . ?
F25B C40B C37 123.0(13) . . ?
F25B C40B F26B 98.2(13) . . ?
F25B C40B F27B 113.2(12) . . ?
F24B C39B C37 114.4(10) . . ?
F22B C39B C37 110.3(12) . . ?
F22B C39B F24B 107.9(13) . . ?
F22B C39B F23B 106.0(14) . . ?
F23B C39B C37 109.2(10) . . ?
F23B C39B F24B 108.7(13) . . ?
C29B O9B Al1 155.7(11) . . ?
O9B C29B C30B 110.0(18) . . ?
O9B C29B C32B 114.6(18) . . ?
O9B C29B C31B 109.9(18) . . ?
C32B C29B C30B 109.1(18) . . ?
C32B C29B C31B 112(2) . . ?
C31B C29B C30B 100.2(15) . . ?
F1B C30B C29B 110.1(12) . . ?
F2B C30B C29B 112.4(16) . . ?
F2B C30B F1B 107.1(13) . . ?
F2B C30B F3B 108.1(12) . . ?
F3B C30B C29B 107.2(14) . . ?
F3B C30B F1B 112.0(11) . . ?
F8B C32B C29B 107.4(15) . . ?
F8B C32B F9B 111.4(13) . . ?
F8B C32B F7B 110.1(12) . . ?
F9B C32B C29B 104.3(14) . . ?
F7B C32B C29B 111.5(16) . . ?
F7B C32B F9B 112.0(13) . . ?
F6B C31B C29B 114.0(16) . . ?
F4B C31B C29B 111.6(15) . . ?
F4B C31B F6B 111.7(12) . . ?
F5B C31B C29B 104.7(14) . . ?
F5B C31B F6B 103.7(14) . . ?
F5B C31B F4B 110.6(16) . . ?
O1B C6B Mo1 177.1(11) . . ?
Mo1 C1B H1B 122.7 . . ?
C5B C1B Mo1 69(2) . . ?
C5B C1B H1B 127.3 . . ?
C2B C1B Mo1 72.7(18) . . ?
C2B C1B H1B 127.3 . . ?
C2B C1B C5B 105(3) . . ?
Mo1 C5B H5B 119.1 . . ?
C1B C5B Mo1 76(2) . . ?
C1B C5B H5B 123.3 . . ?
C1B C5B C4B 113(2) . . ?
C4B C5B Mo1 72.6(16) . . ?
C4B C5B H5B 123.3 . . ?
Mo1 C4B H4B 119.9 . . ?
C5B C4B Mo1 70.5(15) . . ?
C5B C4B H4B 129.5 . . ?
C3B C4B Mo1 72.5(5) . . ?
C3B C4B C5B 101.0(16) . . ?
C3B C4B H4B 129.5 . . ?
Mo1 C2B H2B 121.6 . . ?
C1B C2B Mo1 74.9(16) . . ?
C1B C2B H2B 123.9 . . ?
C1B C2B C3B 112(2) . . ?
C3B C2B Mo1 71.2(5) . . ?
C3B C2B H2B 123.9 . . ?
Mo1 C3B H3B 120.9 . . ?
C4B C3B Mo1 71.5(5) . . ?
C4B C3B H3B 126.0 . . ?
C2B C3B Mo1 73.4(5) . . ?
C2B C3B C4B 108.0(10) . . ?
C2B C3B H3B 126.0 . . ?
O2B C7B Mo1 174.5(11) . . ?
Mo4 P3 Mo3 74.90(14) . . ?
Cu1 P3 Mo3 114.52(15) . . ?
Cu1 P3 Mo4 116.9(2) . . ?
P4 P3 Mo3 63.4(4) . . ?
P4 P3 Mo4 67.7(4) . . ?
P4 P3 Cu1 64.5(4) . . ?
Mo3 P4 Mo4 73.9(4) . . ?
Cu1 P4 Mo3 115.1(5) . . ?
Cu1 P4 Mo4 111.7(5) . . ?
P3 P4 Mo3 66.0(4) . . ?
P3 P4 Mo4 62.5(4) . . ?
P3 P4 Cu1 62.7(4) . . ?
C29A O9A Al1 153.0(9) . . ?
C32C C29C C31C 113(3) . . ?
C32C C29C C30C 101(2) . . ?
C31C C29C C30C 105(2) . . ?
F8C C32C C29C 108.2(19) . . ?
F9C C32C C29C 123(2) . . ?
F9C C32C F8C 110.8(15) . . ?
F7C C32C C29C 114(2) . . ?
F7C C32C F8C 92.9(18) . . ?
F7C C32C F9C 104(2) . . ?
F4C C31C C29C 108(2) . . ?
F5C C31C C29C 107(3) . . ?
F5C C31C F4C 118(2) . . ?
F3C C30C C29C 111.8(19) . . ?
F3C C30C F1C 103.8(18) . . ?
F3C C30C F2C 111(2) . . ?
F1C C30C C29C 113(2) . . ?
F2C C30C C29C 109.7(19) . . ?
F2C C30C F1C 106.8(15) . . ?
F15C C35C F14C 113.0(10) . . ?
F13C C35C F15C 113.5(13) . . ?
F13C C35C F14C 97.1(11) . . ?
F11C C34C F10C 97.3(18) . . ?
F17C C36C F16C 106(2) . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
C46B C45B H45D 109.5 . . ?
C46B C45B H45E 109.5 . . ?
C46B C45B H45F 109.5 . . ?
C47B C46B C45B 116.6(17) . . ?
C47B C46B C51B 126.2(17) . . ?
C51B C46B C45B 117.2(17) . . ?
C46B C47B H47B 119.6 . . ?
C48B C47B C46B 120.8(18) . . ?
C48B C47B H47B 119.6 . . ?
C47B C48B H48B 122.7 . . ?
C47B C48B C49B 114.7(16) . . ?
C49B C48B H48B 122.7 . . ?
C48B C49B H49B 117.6 . . ?
C50B C49B C48B 124.9(17) . . ?
C50B C49B H49B 117.6 . . ?
C49B C50B H50B 120.7 . . ?
C49B C50B C51B 118.6(17) . . ?
C51B C50B H50B 120.7 . . ?
C46B C51B C50B 114.8(17) . . ?
C46B C51B H51B 122.6 . . ?
C50B C51B H51B 122.6 . . ?
F33C C43C F32C 107(3) . . ?
F33C C43C F31C 111(3) . . ?
F31C C43C F32C 112(3) . . ?
F34C C44C F36C 108(3) . . ?
F34C C44C F35C 114(3) . . ?
F35C C44C F36C 97(3) . . ?
C37 O11B Al1 149.2(5) . . ?
F27C C40C C37 97.1(16) . . ?
F25C C40C C37 115(2) . . ?
F25C C40C F27C 102.6(16) . . ?
F25C C40C F26C 116.2(19) . . ?
F26C C40C C37 82.3(16) . . ?
F26C C40C F27C 137(2) . . ?
F22C C39C C37 118(2) . . ?
F22C C39C F23C 114.9(18) . . ?
F22C C39C F24C 110.2(17) . . ?
F23C C39C C37 105.2(17) . . ?
F23C C39C F24C 107.0(16) . . ?
F24C C39C C37 100.7(18) . . ?
F21C C38C C37 108.7(15) . . ?
F19C C38C C37 114.6(18) . . ?
F19C C38C F21C 119(2) . . ?
F19C C38C F20C 106(2) . . ?
F20C C38C C37 103.7(16) . . ?
F20C C38C F21C 103.6(19) . . ?

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
Mo1 C3A C4A C5A -63.5(9) . . . . ?
Mo1 C3A C2A C1A 64.1(5) . . . . ?
Mo1 C4A C5A C1A -64.2(5) . . . . ?
Mo1 C1A C5A C4A 64.4(8) . . . . ?
Mo1 C1A C2A C3A -63.6(8) . . . . ?
Mo1 C1B C5B C4B 64(2) . . . . ?
Mo1 C1B C2B C3B -61.8(10) . . . . ?
Mo1 C5B C4B C3B 66.8(8) . . . . ?
Mo1 C4B C3B C2B 64.7(6) . . . . ?
Mo1 C2B C3B C4B -63.5(7) . . . . ?
Mo3 C19 C18 C17 65.5(2) . . . . ?
Mo3 C19 C15 C16 -65.3(2) . . . . ?
Mo3 C17 C18 C19 -63.9(2) . . . . ?
Mo3 C17 C16 C15 62.0(2) . . . . ?
Mo3 C15 C16 C17 -62.4(2) . . . . ?
Mo4 C26 C25 C24 65.3(2) . . . . ?
Mo4 C26 C22 C23 -62.7(2) . . . . ?
Mo4 C24 C25 C26 -65.6(2) . . . . ?
Mo4 C24 C23 C22 64.1(2) . . . . ?
Mo4 C22 C23 C24 -62.4(2) . . . . ?
Mo2 C11 C12 C8 -61.9(3) . . . . ?
Mo2 C11 C10 C9 63.6(3) . . . . ?
Mo2 C12 C8 C9 -63.7(3) . . . . ?
Mo2 C8 C9 C10 -65.1(3) . . . . ?
Mo2 C10 C9 C8 65.4(3) . . . . ?
Al1 O11A C37 C40A -60.3(6) . . . . ?
Al1 O11A C37 C38A 178.1(4) . . . . ?
Al1 O11A C37 C39A 54.0(6) . . . . ?
Al1 O10A C33A C35A -179.3(7) . . . . ?
Al1 O10A C33A C34A -48.0(13) . . . . ?
Al1 O10A C33A C36A 74.1(15) . . . . ?
Al1 O12A C41A C43A 60.2(14) . . . . ?
Al1 O12A C41A C42A 174.8(5) . . . . ?
Al1 O12A C41A C44A -59.1(14) . . . . ?
Al1 O12B C41B C42B 177.4(8) . . . . ?
Al1 O12B C41B C44B -59(2) . . . . ?
Al1 O12B C41B C43B 62(3) . . . . ?
Al1 O10B C33B C35B 4.4(18) . . . . ?
Al1 O10B C33B C34B 122.9(13) . . . . ?
Al1 O10B C33B C36B -113.4(15) . . . . ?
Al1 O9B C29B C30B 48(4) . . . . ?
Al1 O9B C29B C32B 171(2) . . . . ?
Al1 O9B C29B C31B -61(4) . . . . ?
O11A Al1 O10A C33A -159.7(7) . . . . ?
O11A Al1 O12A C41A -40.5(10) . . . . ?
O11A Al1 O9A C29A -62(2) . . . . ?
F21A C38A C37 O11A -42.1(5) . . . . ?
F21A C38A C37 C40A -163.5(5) . . . . ?
F21A C38A C37 C39A 79.8(5) . . . . ?
F26A C40A C37 O11A -44.7(6) . . . . ?
F26A C40A C37 C38A 77.1(6) . . . . ?
F26A C40A C37 C39A -161.4(5) . . . . ?
F20A C38A C37 O11A 76.2(5) . . . . ?
F20A C38A C37 C40A -45.1(5) . . . . ?
F20A C38A C37 C39A -161.8(4) . . . . ?
F27A C40A C37 O11A -156.7(5) . . . . ?
F27A C40A C37 C38A -34.8(7) . . . . ?
F27A C40A C37 C39A 86.6(6) . . . . ?
C3A C4A C5A Mo1 64.0(11) . . . . ?
C3A C4A C5A C1A -0.2(14) . . . . ?
C19 C15 C16 Mo3 63.1(2) . . . . ?
C19 C15 C16 C17 0.7(4) . . . . ?
C18 C19 C15 Mo3 64.9(2) . . . . ?
C18 C19 C15 C16 -0.4(4) . . . . ?
C18 C17 C16 Mo3 -62.8(2) . . . . ?
C18 C17 C16 C15 -0.7(4) . . . . ?
C15 C19 C18 Mo3 -65.5(2) . . . . ?
C15 C19 C18 C17 -0.1(4) . . . . ?
F19A C38A C37 O11A -162.8(4) . . . . ?
F19A C38A C37 C40A 75.8(6) . . . . ?
F19A C38A C37 C39A -40.9(6) . . . . ?
C16 C17 C18 Mo3 64.4(2) . . . . ?
C16 C17 C18 C19 0.5(4) . . . . ?
C26 C22 C23 Mo4 61.7(2) . . . . ?
C26 C22 C23 C24 -0.6(4) . . . . ?
C4A C3A C2A Mo1 -62.4(12) . . . . ?
C4A C3A C2A C1A 1.7(15) . . . . ?
C25 C26 C22 Mo4 63.4(2) . . . . ?
C25 C26 C22 C23 0.7(4) . . . . ?
C25 C24 C23 Mo4 -63.8(2) . . . . ?
C25 C24 C23 C22 0.3(4) . . . . ?
C22 C26 C25 Mo4 -65.8(2) . . . . ?
C22 C26 C25 C24 -0.5(4) . . . . ?
F23A C39A C37 O11A -158.6(5) . . . . ?
F23A C39A C37 C40A -41.2(6) . . . . ?
F23A C39A C37 C38A 78.5(6) . . . . ?
F25A C40A C37 O11A 74.8(6) . . . . ?
F25A C40A C37 C38A -163.4(5) . . . . ?
F25A C40A C37 C39A -42.0(6) . . . . ?
C23 C24 C25 Mo4 65.7(2) . . . . ?
C23 C24 C25 C26 0.1(4) . . . . ?
F22A C39A C37 O11A -39.4(6) . . . . ?
F22A C39A C37 C40A 77.9(6) . . . . ?
F22A C39A C37 C38A -162.3(5) . . . . ?
C11 C12 C8 Mo2 62.8(3) . . . . ?
C11 C12 C8 C9 -0.9(4) . . . . ?
C11 C10 C9 Mo2 -65.4(3) . . . . ?
C11 C10 C9 C8 0.0(4) . . . . ?
C12 C11 C10 Mo2 -64.2(3) . . . . ?
C12 C11 C10 C9 -0.5(4) . . . . ?
C12 C8 C9 Mo2 65.7(3) . . . . ?
C12 C8 C9 C10 0.5(4) . . . . ?
C10 C11 C12 Mo2 62.7(2) . . . . ?
C10 C11 C12 C8 0.8(4) . . . . ?
C5A C1A C2A Mo1 61.9(4) . . . . ?
C5A C1A C2A C3A -1.7(10) . . . . ?
C46A C47A C48A C49A 4.0(10) . . . . ?
C46A C51A C50A C49A -1.9(14) . . . . ?
C47A C46A C51A C50A 4.9(11) . . . . ?
C47A C48A C49A C50A -1.2(13) . . . . ?
C2A C3A C4A Mo1 62.5(11) . . . . ?
C2A C3A C4A C5A -0.9(17) . . . . ?
C2A C1A C5A Mo1 -63.1(4) . . . . ?
C2A C1A C5A C4A 1.3(9) . . . . ?
C51A C46A C47A C48A -5.7(9) . . . . ?
C51A C50A C49A C48A 0.0(14) . . . . ?
C45A C46A C47A C48A 175.8(5) . . . . ?
C45A C46A C51A C50A -176.5(7) . . . . ?
O10A Al1 O11A C37 32.3(5) . . . . ?
O10A Al1 O12A C41A 79.6(10) . . . . ?
O10A Al1 O9A C29A 173(2) . . . . ?
O10A C33A C35A F14A -73.7(12) . . . . ?
O10A C33A C35A F15A 166.3(13) . . . . ?
O10A C33A C35A F13A 56.8(10) . . . . ?
O10A C33A C34A F10A 49.5(14) . . . . ?
O10A C33A C34A F11A -75(2) . . . . ?
O10A C33A C34A F12A 166.4(12) . . . . ?
O10A C33A C36A F18A -80(2) . . . . ?
O10A C33A C36A F16A 166.4(17) . . . . ?
O10A C33A C36A F17A 46(3) . . . . ?
C35A C33A C34A F10A 172.1(11) . . . . ?
C35A C33A C34A F11A 48(2) . . . . ?
C35A C33A C34A F12A -71.0(16) . . . . ?
C35A C33A C36A F18A 171(2) . . . . ?
C35A C33A C36A F16A 57(2) . . . . ?
C35A C33A C36A F17A -63(2) . . . . ?
C34A C33A C35A F14A 161.2(12) . . . . ?
C34A C33A C35A F15A 41.2(18) . . . . ?
C34A C33A C35A F13A -68.2(14) . . . . ?
C34A C33A C36A F18A 41(3) . . . . ?
C34A C33A C36A F16A -73(3) . . . . ?
C34A C33A C36A F17A 167(2) . . . . ?
C36A C33A C35A F14A 37.8(18) . . . . ?
C36A C33A C35A F15A -82.2(19) . . . . ?
C36A C33A C35A F13A 168.3(15) . . . . ?
C36A C33A C34A F10A -70(2) . . . . ?
C36A C33A C34A F11A 166(2) . . . . ?
C36A C33A C34A F12A 47(2) . . . . ?
O12A Al1 O11A C37 153.2(5) . . . . ?
O12A Al1 O10A C33A 83.3(8) . . . . ?
O12A Al1 O9A C29A 52(2) . . . . ?
O12A C41A C43A F32A -79.1(12) . . . . ?
O12A C41A C43A F33A 159.9(9) . . . . ?
O12A C41A C43A F31A 40.8(13) . . . . ?
O12A C41A C42A F30A 47.0(10) . . . . ?
O12A C41A C42A F28A -76.4(8) . . . . ?
O12A C41A C42A F29A 163.1(6) . . . . ?
O12A C41A C44A F36A -73.5(13) . . . . ?
O12A C41A C44A F34A 164.8(10) . . . . ?
O12A C41A C44A F35A 42.4(12) . . . . ?
C43A C41A C42A F30A 164.9(8) . . . . ?
C43A C41A C42A F28A 41.5(9) . . . . ?
C43A C41A C42A F29A -79.0(9) . . . . ?
C43A C41A C44A F36A 165.0(10) . . . . ?
C43A C41A C44A F34A 43.3(14) . . . . ?
C43A C41A C44A F35A -79.1(10) . . . . ?
C42A C41A C43A F32A 164.2(8) . . . . ?
C42A C41A C43A F33A 43.2(11) . . . . ?
C42A C41A C43A F31A -75.9(11) . . . . ?
C42A C41A C44A F36A 50.3(10) . . . . ?
C42A C41A C44A F34A -71.4(12) . . . . ?
C42A C41A C44A F35A 166.2(7) . . . . ?
C44A C41A C43A F32A 44.5(12) . . . . ?
C44A C41A C43A F33A -76.5(11) . . . . ?
C44A C41A C43A F31A 164.4(10) . . . . ?
C44A C41A C42A F30A -79.7(8) . . . . ?
C44A C41A C42A F28A 156.9(7) . . . . ?
C44A C41A C42A F29A 36.4(8) . . . . ?
O12B Al1 O10B C33B -69.6(14) . . . . ?
O12B Al1 O9B C29B -160(3) . . . . ?
O12B Al1 O11B C37 -43.8(10) . . . . ?
O12B C41B C42B F29B -38(2) . . . . ?
O12B C41B C42B F30B -164.1(14) . . . . ?
O12B C41B C42B F28B 75.5(18) . . . . ?
O12B C41B C44B F34B 82.2(19) . . . . ?
O12B C41B C44B F35B -38.4(18) . . . . ?
O12B C41B C44B F36B -155.5(15) . . . . ?
O12B C41B C43B F32B -46(2) . . . . ?
O12B C41B C43B F33B -168.1(17) . . . . ?
O12B C41B C43B F31B 74(2) . . . . ?
C42B C41B C44B F34B -156.3(16) . . . . ?
C42B C41B C44B F35B 83(2) . . . . ?
C42B C41B C44B F36B -34(3) . . . . ?
C42B C41B C43B F32B -162.1(14) . . . . ?
C42B C41B C43B F33B 76(2) . . . . ?
C42B C41B C43B F31B -42(2) . . . . ?
C44B C41B C42B F29B -162.9(17) . . . . ?
C44B C41B C42B F30B 71(2) . . . . ?
C44B C41B C42B F28B -49(2) . . . . ?
C44B C41B C43B F32B 79.1(17) . . . . ?
C44B C41B C43B F33B -43(2) . . . . ?
C44B C41B C43B F31B -160.6(13) . . . . ?
C43B C41B C42B F29B 80(2) . . . . ?
C43B C41B C42B F30B -46(2) . . . . ?
C43B C41B C42B F28B -166.5(15) . . . . ?
C43B C41B C44B F34B -40.9(18) . . . . ?
C43B C41B C44B F35B -161.5(13) . . . . ?
C43B C41B C44B F36B 81.3(17) . . . . ?
C32A C29A C31A F4A -161.2(17) . . . . ?
C32A C29A C31A F5A 75(2) . . . . ?
C32A C29A C31A F6A -42(2) . . . . ?
C32A C29A C30A F3A -164.2(16) . . . . ?
C32A C29A C30A F1A 76(2) . . . . ?
C32A C29A C30A F2A -44(2) . . . . ?
C32A C29A O9A Al1 66(3) . . . . ?
C31A C29A C32A F8A -165.1(17) . . . . ?
C31A C29A C32A F9A 71(2) . . . . ?
C31A C29A C32A F7A -47(2) . . . . ?
C31A C29A C30A F3A 74(2) . . . . ?
C31A C29A C30A F1A -45(2) . . . . ?
C31A C29A C30A F2A -165.5(15) . . . . ?
C31A C29A O9A Al1 -170.8(11) . . . . ?
C30A C29A C32A F8A 74(2) . . . . ?
C30A C29A C32A F9A -49(2) . . . . ?
C30A C29A C32A F7A -167.5(14) . . . . ?
C30A C29A C31A F4A -43(2) . . . . ?
C30A C29A C31A F5A -167.1(15) . . . . ?
C30A C29A C31A F6A 75.7(18) . . . . ?
C30A C29A O9A Al1 -50(3) . . . . ?
O10B Al1 O12B C41B -91(2) . . . . ?
O10B Al1 O9B C29B -31(3) . . . . ?
O10B Al1 O11B C37 -162.5(9) . . . . ?
O10B C33B C35B F15B -81.3(9) . . . . ?
O10B C33B C35B F13B 157.4(9) . . . . ?
O10B C33B C35B F14B 37.4(11) . . . . ?
O10B C33B C34B F11B 45.4(13) . . . . ?
O10B C33B C34B F12B -70.3(15) . . . . ?
O10B C33B C34B F10B 166.8(10) . . . . ?
O10B C33B C36B F18B -77.1(13) . . . . ?
O10B C33B C36B F16B 162.6(10) . . . . ?
O10B C33B C36B F17B 41.7(15) . . . . ?
C35B C33B C34B F11B 164.3(8) . . . . ?
C35B C33B C34B F12B 48.6(14) . . . . ?
C35B C33B C34B F10B -74.4(11) . . . . ?
C35B C33B C36B F18B 164.1(9) . . . . ?
C35B C33B C36B F16B 43.8(13) . . . . ?
C35B C33B C36B F17B -77.1(12) . . . . ?
C34B C33B C35B F15B 159.1(8) . . . . ?
C34B C33B C35B F13B 37.8(11) . . . . ?
C34B C33B C35B F14B -82.2(10) . . . . ?
C34B C33B C36B F18B 45.9(15) . . . . ?
C34B C33B C36B F16B -74.4(14) . . . . ?
C34B C33B C36B F17B 164.7(11) . . . . ?
C36B C33B C35B F15B 39.0(11) . . . . ?
C36B C33B C35B F13B -82.2(12) . . . . ?
C36B C33B C35B F14B 157.7(9) . . . . ?
C36B C33B C34B F11B -78.3(13) . . . . ?
C36B C33B C34B F12B 166.0(13) . . . . ?
C36B C33B C34B F10B 43.1(15) . . . . ?
C38B C37 C40B F26B 166.0(11) . . . . ?
C38B C37 C40B F27B 54.5(11) . . . . ?
C38B C37 C40B F25B -76.1(15) . . . . ?
C38B C37 C39B F24B 149.9(11) . . . . ?
C38B C37 C39B F22B 28.0(17) . . . . ?
C38B C37 C39B F23B -88.1(13) . . . . ?
C38B C37 O11B Al1 177.1(10) . . . . ?
C40B C37 C38B F21B 152.3(11) . . . . ?
C40B C37 C38B F19B 30.6(14) . . . . ?
C40B C37 C38B F20B -89.8(11) . . . . ?
C40B C37 C39B F24B 46.7(14) . . . . ?
C40B C37 C39B F22B -75.1(15) . . . . ?
C40B C37 C39B F23B 168.8(12) . . . . ?
C40B C37 O11B Al1 -71.7(11) . . . . ?
C39B C37 C38B F21B 46.7(13) . . . . ?
C39B C37 C38B F19B -75.0(15) . . . . ?
C39B C37 C38B F20B 164.6(11) . . . . ?
C39B C37 C40B F26B -76.8(12) . . . . ?
C39B C37 C40B F27B 171.7(10) . . . . ?
C39B C37 C40B F25B 41.0(16) . . . . ?
C39B C37 O11B Al1 39.5(12) . . . . ?
O9B Al1 O12B C41B 34(2) . . . . ?
O9B Al1 O10B C33B 160.3(14) . . . . ?
O9B Al1 O11B C37 85.2(10) . . . . ?
O9B C29B C30B F1B -76.6(17) . . . . ?
O9B C29B C30B F2B 164.0(15) . . . . ?
O9B C29B C30B F3B 45.4(18) . . . . ?
O9B C29B C32B F8B 41(2) . . . . ?
O9B C29B C32B F9B -77.5(18) . . . . ?
O9B C29B C32B F7B 161.5(15) . . . . ?
O9B C29B C31B F6B 161.4(14) . . . . ?
O9B C29B C31B F4B 34(2) . . . . ?
O9B C29B C31B F5B -85.9(19) . . . . ?
C30B C29B C32B F8B 164.6(16) . . . . ?
C30B C29B C32B F9B 46(2) . . . . ?
C30B C29B C32B F7B -75(2) . . . . ?
C30B C29B C31B F6B 46(2) . . . . ?
C30B C29B C31B F4B -82.1(19) . . . . ?
C30B C29B C31B F5B 158.3(17) . . . . ?
C32B C29B C30B F1B 156.9(15) . . . . ?
C32B C29B C30B F2B 38(2) . . . . ?
C32B C29B C30B F3B -81(2) . . . . ?
C32B C29B C31B F6B -70(2) . . . . ?
C32B C29B C31B F4B 162.3(16) . . . . ?
C32B C29B C31B F5B 43(2) . . . . ?
C31B C29B C30B F1B 39(2) . . . . ?
C31B C29B C30B F2B -80.3(18) . . . . ?
C31B C29B C30B F3B 161.1(14) . . . . ?
C31B C29B C32B F8B -85(2) . . . . ?
C31B C29B C32B F9B 156.3(16) . . . . ?
C31B C29B C32B F7B 35(2) . . . . ?
C1B C5B C4B Mo1 -66(2) . . . . ?
C1B C5B C4B C3B 1(3) . . . . ?
C1B C2B C3B Mo1 64.0(16) . . . . ?
C1B C2B C3B C4B 0.5(18) . . . . ?
C5B C1B C2B Mo1 62(2) . . . . ?
C5B C1B C2B C3B 0(3) . . . . ?
C5B C4B C3B Mo1 -65.4(15) . . . . ?
C5B C4B C3B C2B -0.6(17) . . . . ?
C2B C1B C5B Mo1 -64(2) . . . . ?
C2B C1B C5B C4B 0(3) . . . . ?
O9A Al1 O11A C37 -93.2(5) . . . . ?
O9A Al1 O10A C33A -32.6(8) . . . . ?
O9A Al1 O12A C41A -160.6(10) . . . . ?
O9A C29A C32A F8A -43.5(19) . . . . ?
O9A C29A C32A F9A -166.9(12) . . . . ?
O9A C29A C32A F7A 74.6(17) . . . . ?
O9A C29A C31A F4A 76.4(18) . . . . ?
O9A C29A C31A F5A -47.2(18) . . . . ?
O9A C29A C31A F6A -164.4(11) . . . . ?
O9A C29A C30A F3A -45.5(17) . . . . ?
O9A C29A C30A F1A -165.0(13) . . . . ?
O9A C29A C30A F2A 74.7(14) . . . . ?
C32C C29C C31C F4C -150(2) . . . . ?
C32C C29C C31C F5C 83(3) . . . . ?
C32C C29C C30C F3C -169(2) . . . . ?
C32C C29C C30C F1C 75(2) . . . . ?
C32C C29C C30C F2C -45(3) . . . . ?
C31C C29C C32C F8C -163(2) . . . . ?
C31C C29C C32C F9C 66(3) . . . . ?
C31C C29C C32C F7C -61(4) . . . . ?
C31C C29C C30C F3C 74(3) . . . . ?
C31C C29C C30C F1C -43(3) . . . . ?
C31C C29C C30C F2C -162(2) . . . . ?
C30C C29C C32C F8C 86(3) . . . . ?
C30C C29C C32C F9C -45(3) . . . . ?
C30C C29C C32C F7C -172(2) . . . . ?
C30C C29C C31C F4C -41(4) . . . . ?
C30C C29C C31C F5C -168(2) . . . . ?
C45B C46B C47B C48B -179.8(4) . . . . ?
C45B C46B C51B C50B -179.7(3) . . . . ?
C46B C47B C48B C49B -0.7(8) . . . . ?
C47B C46B C51B C50B 0.7(7) . . . . ?
C47B C48B C49B C50B 1.2(9) . . . . ?
C48B C49B C50B C51B -0.7(7) . . . . ?
C49B C50B C51B C46B -0.3(6) . . . . ?
C51B C46B C47B C48B -0.2(8) . . . . ?
O11B Al1 O12B C41B 162(2) . . . . ?
O11B Al1 O10B C33B 42.7(14) . . . . ?
O11B Al1 O9B C29B 77(3) . . . . ?
O11B C37 C38B F21B -89.4(11) . . . . ?
O11B C37 C38B F19B 148.9(11) . . . . ?
O11B C37 C38B F20B 28.5(13) . . . . ?
O11B C37 C40B F26B 40.9(12) . . . . ?
O11B C37 C40B F27B -70.5(11) . . . . ?
O11B C37 C40B F25B 158.8(13) . . . . ?
O11B C37 C39B F24B -70.5(13) . . . . ?
O11B C37 C39B F22B 167.7(13) . . . . ?
O11B C37 C39B F23B 51.6(13) . . . . ?
C40C C37 C39C F22C -172.3(14) . . . . ?
C40C C37 C39C F23C 58.4(15) . . . . ?
C40C C37 C39C F24C -52.7(15) . . . . ?
C40C C37 C38C F21C 162.2(14) . . . . ?
C40C C37 C38C F19C 26.8(19) . . . . ?
C40C C37 C38C F20C -88.0(16) . . . . ?
C39C C37 C40C F27C 146.8(13) . . . . ?
C39C C37 C40C F25C 39.3(18) . . . . ?
C39C C37 C40C F26C -76.1(16) . . . . ?
C39C C37 C38C F21C 54.1(16) . . . . ?
C39C C37 C38C F19C -81.4(18) . . . . ?
C39C C37 C38C F20C 163.8(15) . . . . ?
C38C C37 C40C F27C 44.8(16) . . . . ?
C38C C37 C40C F25C -62.7(17) . . . . ?
C38C C37 C40C F26C -178.1(15) . . . . ?
C38C C37 C39C F22C -59.9(16) . . . . ?
C38C C37 C39C F23C 170.8(14) . . . . ?
C38C C37 C39C F24C 59.7(14) . . . . ?

_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 1.066
_oxdiff_exptl_absorpt_empirical_full_min 0.942
_vrf_PLAT910_psh224_mo_mp_abs    
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         13 Note  
RESPONSE: A dual source diffractometer was used. The missing reflections are 
hidden behind the beamstop of the second source.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_psh404_mo_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2300857'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-17 downloaded from the CCDC.
;
_audit_creation_date             2021-12-22
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.12.21 svn.raa29eb21 for OlexSys, GUI svn.r6440)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H40 Ag2 As1.71 Mo8 O16 P6.29, 2(Al C16 F36 O4), 2(C H2 Cl2)'
_chemical_formula_sum            'C90 H44 Ag2 Al2 As1.71 Cl4 F72 Mo8 O24 P6.29'
_chemical_formula_weight         4379.18
_chemical_melting_point          ?
_chemical_oxdiff_formula         C90H44Ag2Al2As1.7Cl4F72Mo8O24P6.3
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.29414(7)
_cell_length_b                   59.0562(5)
_cell_length_c                   21.43082(15)
_cell_angle_alpha                90
_cell_angle_beta                 91.1327(6)
_cell_angle_gamma                90
_cell_volume                     13025.94(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    91564
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      32.5370
_cell_measurement_theta_min      2.5730
_shelx_estimated_absorpt_T_max   0.876
_shelx_estimated_absorpt_T_min   0.777
_exptl_absorpt_coefficient_mu    1.808
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_density_diffrn    2.233
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8395
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -2 -1 0.0598
-1 2 1 0.0680
2 2 -1 0.0626
-2 -2 1 0.0674
0 -2 -1 0.0270
0 2 1 0.0482
0 -1 1 0.0549
0 1 -1 0.0342
0 -1 0 0.0504
0 1 0 0.0384
-1 1 2 0.0601
-1 -2 2 0.0697
2 -2 -1 0.0626
1 2 0 0.0676
2 1 1 0.0652
1 -2 0 0.0703
0 1 1 0.0468
1 -18 29 0.0516
5 -61 18 0.0683

_exptl_crystal_size_max          0.147
_exptl_crystal_size_mid          0.109
_exptl_crystal_size_min          0.075
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9991 -1.9984 -0.9989 -0.0551 -0.0038 0.0572
-0.9991 1.9984 0.9989 0.0551 0.0038 -0.0572
1.9980 1.9979 -0.9992 -0.1352 -0.0226 0.0407
-1.9980 -1.9979 0.9992 0.1352 0.0226 -0.0407
0.0000 -1.9985 -0.9988 0.0024 0.0248 0.0324
-0.0000 1.9985 0.9988 -0.0024 -0.0248 -0.0324
-0.0000 -0.9987 0.9989 0.0145 -0.0320 -0.0015
0.0000 0.9987 -0.9989 -0.0145 0.0320 0.0015
0.0000 -0.9991 0.0000 0.0056 -0.0024 0.0103
-0.0000 0.9991 -0.0000 -0.0056 0.0024 -0.0103
-0.9991 0.9997 1.9978 0.0696 -0.0283 -0.0586
-0.9990 -1.9975 1.9979 0.0865 -0.0355 -0.0277
1.9981 -1.9984 -0.9990 -0.1127 -0.0323 0.0819
0.9990 1.9982 -0.0002 -0.0688 -0.0237 0.0041
1.9980 0.9995 0.9986 -0.1119 -0.0843 0.0274
0.9990 -1.9981 -0.0000 -0.0463 -0.0334 0.0454
-0.0000 0.9994 0.9988 0.0032 -0.0272 -0.0221
0.9988 -17.9736 28.9677 0.2998 -0.9307 -0.1310
4.9956 -60.9372 17.9817 0.2149 -0.8231 0.5411

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       71
_diffrn_reflns_limit_k_min       -85
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            189366
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.696
_diffrn_reflns_theta_min         2.233
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -3.00  55.00   0.25    8.00    --    6.97  41.00-126.00  232
  2  ω    -40.00  12.00   0.25    8.00    --    6.97 -41.00  80.00  208
  3  ω      9.00  40.00   0.25    8.00    --   -7.59  41.00-126.00  124
  4  ω    -65.00  -3.00   0.25    8.00    --   -7.59 -41.00  80.00  248
  5  ω    -21.00  41.00   0.25    8.00    --    6.97 -99.00 -90.00  248
  6  ω    -20.00  41.00   0.25    8.00    --    6.97 -99.00   0.00  244
  7  ω    -26.00  42.00   0.25    8.00    --   -7.59  77.00 -90.00  272
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0576058000
_diffrn_orient_matrix_UB_12      -0.0056422000
_diffrn_orient_matrix_UB_13      0.0088361000
_diffrn_orient_matrix_UB_21      -0.0285715000
_diffrn_orient_matrix_UB_22      0.0024175000
_diffrn_orient_matrix_UB_23      -0.0296423000
_diffrn_orient_matrix_UB_31      0.0247833000
_diffrn_orient_matrix_UB_32      -0.0103261000
_diffrn_orient_matrix_UB_33      -0.0117853000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                33996
_reflns_number_total             42599
_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 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.795
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2764
_refine_ls_number_reflns         42599
_refine_ls_number_restraints     849
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0435
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+39.9258P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.0977
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 F7B-C60B = F8B-C60B = F9B-C60B
 1.35 with sigma of 0.01
 Cl6-Cl5
 2.916 with sigma of 0.03
 Cl5-C92
 1.77 with sigma of 0.02
 Cl6-C92 = Cl5-C92
 1.771 with sigma of 0.01
 Cl6-C92
 1.78 with sigma of 0.02
 Cl6-Cl5
 2.92 with sigma of 0.04
 F30A-C70A \\sim F28A-C70A \\sim F29A-C70A \\sim F35A-C72A \\sim F36A-C72A
\\sim F34A-C72A \\sim F33A-
 C71A \\sim F31A-C71A \\sim F32A-C71A
 with sigma of 0.02
 F33C-C71C \\sim F31C-C71C \\sim F32C-C71C \\sim F28C-C70C \\sim F29C-C70C
\\sim F30C-C70C \\sim F36C-
 C72C \\sim F34C-C72C \\sim F35C-C72C
 with sigma of 0.02
 F30B-C70B \\sim F28B-C70B \\sim F29B-C70B \\sim F34B-C72B \\sim F35B-C72B
\\sim F36B-C72B \\sim F32B-
 C71B \\sim F33B-C71B \\sim F31B-C71B
 with sigma of 0.02
 C69C-C71C \\sim C69C-C70C \\sim C69C-C72C
 with sigma of 0.02
 C57B-F7B \\sim C57B-F9B \\sim C57B-F8B
 with sigma of 0.01
 F7B-F9B \\sim F9B-F8B \\sim F8B-F7B
 with sigma of 0.02
 C69B-C70B \\sim C69B-C72B \\sim C69B-C71B
 with sigma of 0.02
 F30B-F28B \\sim F28B-F29B \\sim F29B-F30B
 with sigma of 0.02
 C71B-C69B \\sim C70B-C69B \\sim C72A-C69A \\sim C71A-C69A \\sim C70A-C69A
 with sigma of 0.02
 C69A-C70A \\sim C69A-C72A \\sim C69A-C71A
 with sigma of 0.02
 C89A-C86 \\sim C89B-C86 \\sim C88A-C86 \\sim C88B-C86
 with sigma of 0.02
 F69A-C88A \\sim F69B-C88B \\sim F67-C88B \\sim F67-C88A \\sim F68B-C88B \\sim
F68A-C88A
 with sigma of 0.02
 F70B-C89A \\sim F72B-C89A \\sim F71B-C89A \\sim F3-C89B \\sim F2-C89B \\sim
F1-C89B
 with sigma of 0.02
 C58A-C57A \\sim C57B-C58B \\sim C60A-C57A \\sim C57B-C60B \\sim C59A-C57A
\\sim C57B-C59B
 with sigma of 0.02
 C63B-C61B \\sim C63A-C61A \\sim C62A-C61A \\sim C62B-C61B \\sim C61A-C64
 with sigma of 0.02
 O17-C57B \\sim O17-C57A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F8B \\sim F9A \\sim C60A \\sim C60B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F34A \\sim C72A \\sim F36A \\sim F35A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F4B \\sim C59B \\sim F5B \\sim F6: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
F5A \\sim C59A \\sim F4A \\sim F6: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
F30B \\sim C70B \\sim F28B \\sim F29B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F9B \\sim C60B \\sim F8B \\sim F7B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
C69B \\sim C69A \\sim C71A \\sim C70A \\sim C70B \\sim C72A \\sim C71B: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
F36B \\sim C72B \\sim F34B \\sim F35B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F32A \\sim C71A \\sim F33A \\sim F31A \\sim F32B \\sim C71B \\sim F33B \\sim
F31B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.01
within 1.7A
O20B \\sim O20A \\sim O1: within 2.2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2.2A
C69A \\sim C69B \\sim C69C: within 2.2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2.2A
As7 \\sim P7 \\sim As8 \\sim P8: within 2.5A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2.5A
C88A \\sim C88B \\sim C86 \\sim C87A \\sim C87B \\sim C89A \\sim C89B: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.7A
F64B \\sim F64A \\sim C87A \\sim C87B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
F69B \\sim F69A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
C60A \\sim C60B \\sim C57A \\sim C57B \\sim C59B \\sim C59A \\sim C58A \\sim
C58B: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02
within 1.7A
Cl6 \\sim Cl5 \\sim C92: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Al2: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
F53B \\sim F52A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
F50B \\sim F48A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
F51B \\sim F50A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
F60B \\sim F60A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
C84A \\sim C84B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 1.7A
C62B \\sim C62A \\sim C61B \\sim C61A: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
P5 \\sim As5 \\sim As6 \\sim P6: within 2.5A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2.5A
Uanis(As8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 Cl6, Cl5, C92
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: As7(0.63) As6(0.53) P5(0.66) P8(0.79) Cl4(0.5) Cl3(0.5) F17A(0.75)
 F16A(0.75) F48A(0.5) F52A(0.5) F18A(0.75) F1A(0.75) F3A(0.75) F47A(0.5)
 F50A(0.5) F2A(0.75) F51A(0.5) F7A(0.75) F72B(0.5) F46A(0.5) F8A(0.75)
 F53A(0.5) F49A(0.5) C57A(0.75) F70B(0.5) O1A(0.57) C58A(0.75) C6A(0.57)
 F71B(0.5) C60A(0.75) C91(0.5) H91A(0.5) H91B(0.5) C89A(0.5) C78A(0.5)
 C80A(0.5) C79A(0.5) O1B(0.43) C6B(0.43) Cl6(0.5) Cl5(0.5) C92(0.5) H92A(0.5)
 H92B(0.5) P7(0.37) As8(0.21) P6(0.47) As5(0.34) F69B(0.5) F68B(0.5) C88B(0.5)
 C87B(0.5) F64B(0.5) F65B(0.5) O24A(0.5) C84A(0.5) F58A(0.5) F60A(0.5)
 C85A(0.5) F63A(0.5) F62A(0.5) F61A(0.5) C61A(0.75) O23A(0.5) C3B(0.43)
 H3B(0.43) C2B(0.43) H2B(0.43) C1B(0.43) H1B(0.43) C5B(0.43) H5B(0.43)
 C4B(0.43) H4B(0.43) C3A(0.57) H3A(0.57) C4A(0.57) H4A(0.57) C5A(0.57)
 H5A(0.57) C1A(0.57) H1A(0.57) C2A(0.57) H2A(0.57) C62A(0.75) F12A(0.75)
 F10A(0.75) F11A(0.75) C63A(0.75) F14A(0.75) F15A(0.75) F13A(0.75) F59A(0.5)
 C61B(0.25) C62B(0.25) F11B(0.25) F12B(0.25) F10B(0.25) F17B(0.25) F18B(0.25)
 F16B(0.25) C63B(0.25) F15B(0.25) F13B(0.25) F14B(0.25) C58B(0.25) F2B(0.25)
 F3B(0.25) F1B(0.25) C89B(0.5) F1(0.5) F2(0.5) F3(0.5) C88A(0.5) F69A(0.5)
 F68A(0.5) C87A(0.5) F64A(0.5) F65A(0.5) C78B(0.5) F46B(0.5) F47B(0.5)
 F48B(0.5) F53B(0.5) C80B(0.5) F52B(0.5) F50B(0.5) C79B(0.5) F49B(0.5)
 F51B(0.5) C84B(0.5) F58B(0.5) F60B(0.5) F59B(0.5) C85B(0.5) F61B(0.5)
 F62B(0.5) F63B(0.5) O24B(0.5) O23B(0.5) F5B(0.25) C59B(0.25) F4B(0.25)
 C59A(0.75) F4A(0.75) F5A(0.75) C60B(0.25) F7B(0.25) F9B(0.25) F9A(0.75)
 O20A(0.4) C69A(0.4) C70A(0.4) F30A(0.4) F28A(0.4) F29A(0.4) C72A(0.4)
 F35A(0.4) F36A(0.4) F34A(0.4) C71A(0.4) F33A(0.4) F31A(0.4) F32A(0.4)
 O20B(0.24) C69B(0.24) C70B(0.24) F30B(0.24) F28B(0.24) F29B(0.24) C72B(0.24)
 F34B(0.24) F35B(0.24) F36B(0.24) C71B(0.24) F32B(0.24) F33B(0.24) F31B(0.24)
 C57B(0.25) F8B(0.25) O1(0.36) C69C(0.36) C71C(0.36) F33C(0.36) F31C(0.36)
 F32C(0.36) C70C(0.36) F28C(0.36) F29C(0.36) F30C(0.36) C72C(0.36) F36C(0.36)
 F34C(0.36) F35C(0.36)
6.a Secondary CH2 refined with riding coordinates:
 C90(H90A,H90B), C91(H91A,H91B), C92(H92A,H92B)
6.b Aromatic/amide H refined with riding coordinates:
 C54(H54), C31(H31), C53(H53), C43(H43), C50(H50), C46(H46), C33(H33),
 C30(H30), C45(H45), C51(H51), C44(H44), C23(H23), C32(H32), C8(H8), C47(H47),
 C29(H29), C52(H52), C9(H9), C38(H38), C25(H25), C24(H24), C22(H22), C40(H40),
 C39(H39), C26(H26), C37(H37), C36(H36), C10(H10), C11(H11), C12(H12), C3B(H3B),
  C2B(H2B), C1B(H1B), C5B(H5B), C4B(H4B), C3A(H3A), C4A(H4A), C5A(H5A),
 C1A(H1A), C2A(H2A), C19(H19), C15(H15), C16(H16), C17(H17), C18(H18)
;
_atom_sites_solution_hydrogens   geom
_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
Ag2 Ag 0.48010(3) 0.39083(2) 0.72072(2) 0.02518(5) Uani 1 1 d . . . . .
Ag1 Ag 0.55722(3) 0.35987(2) 0.92880(2) 0.02713(5) Uani 1 1 d . . . . .
Mo5 Mo 0.47260(3) 0.31148(2) 1.07819(2) 0.01892(5) Uani 1 1 d . . . . .
Mo8 Mo 0.54292(3) 0.44091(2) 0.57287(2) 0.01909(5) Uani 1 1 d . . . . .
Mo7 Mo 0.45102(3) 0.39566(2) 0.52075(2) 0.02062(5) Uani 1 1 d . . . . .
Mo4 Mo 0.51215(3) 0.44217(2) 0.88837(2) 0.02391(6) Uani 1 1 d . . . . .
Mo1 Mo 0.49200(3) 0.30929(2) 0.75825(2) 0.02348(6) Uani 1 1 d . . . . .
Mo2 Mo 0.75002(3) 0.33395(2) 0.74583(2) 0.02501(6) Uani 1 1 d . . . . .
Mo6 Mo 0.54040(3) 0.35746(2) 1.13274(2) 0.02391(6) Uani 1 1 d . . . . .
Mo3 Mo 0.26451(3) 0.41463(2) 0.89597(2) 0.02379(6) Uani 1 1 d . . . . .
As7 As 0.6051(3) 0.40034(6) 0.61200(17) 0.0210(5) Uani 0.63 1 d . U P A 1
As6 As 0.4140(5) 0.35207(10) 1.0322(2) 0.0230(6) Uani 0.53 1 d . U P B 1
P5 P 0.6339(12) 0.3377(3) 1.0336(6) 0.0248(12) Uani 0.66 1 d . U P B 1
P8 P 0.3993(15) 0.4131(2) 0.6245(7) 0.0216(11) Uani 0.79 1 d . U P A 1
P4 P 0.49910(8) 0.40127(2) 0.91137(4) 0.02255(16) Uani 1 1 d . . . . .
P1 P 0.59318(8) 0.33825(2) 0.83110(4) 0.02198(15) Uani 1 1 d . . . . .
P2 P 0.52288(9) 0.35000(2) 0.74432(4) 0.02537(17) Uani 1 1 d . . . . .
P3 P 0.43646(9) 0.40990(2) 0.82032(4) 0.02293(16) Uani 1 1 d . . . . .
Al1 Al 0.92993(8) 0.54214(2) 0.74545(4) 0.01574(16) Uani 1 1 d . . . . .
Al2 Al 1.09740(9) 0.21479(2) 0.91799(4) 0.01744(17) Uani 1 1 d . . . . .
Cl1 Cl 0.89693(12) 0.36213(3) 0.93113(6) 0.0646(4) Uani 1 1 d . . . . .
Cl2 Cl 1.02499(17) 0.37486(3) 1.04802(7) 0.0717(4) Uani 1 1 d . . . . .
Cl4 Cl 0.9537(4) 0.42436(7) 0.6684(2) 0.0568(9) Uani 0.5 1 d . . P C 1
Cl3 Cl 1.1021(3) 0.38289(5) 0.6775(2) 0.0556(8) Uani 0.5 1 d . . P C 1
F21 F 0.5165(2) 0.55295(5) 0.83849(11) 0.0445(6) Uani 1 1 d . . . . .
F26 F 0.5748(2) 0.54686(4) 0.65314(9) 0.0393(5) Uani 1 1 d . . . . .
F20 F 0.6813(2) 0.53222(4) 0.86601(9) 0.0349(5) Uani 1 1 d . . . . .
F19 F 0.7101(2) 0.56555(4) 0.82816(11) 0.0385(5) Uani 1 1 d . . . . .
F17A F 1.2169(9) 0.53830(15) 0.7954(3) 0.0338(12) Uani 0.75 1 d . . P D 1
F27 F 0.5572(3) 0.57252(4) 0.72249(12) 0.0474(6) Uani 1 1 d . . . . .
O18 O 0.9644(2) 0.53255(4) 0.82023(10) 0.0250(5) Uani 1 1 d . . . . .
F25 F 0.4254(2) 0.54404(5) 0.72062(11) 0.0465(6) Uani 1 1 d . . . . .
O10 O 0.1763(3) 0.32100(5) 1.09996(14) 0.0388(6) Uani 1 1 d . . . . .
F37 F 1.3644(3) 0.18194(5) 0.99223(13) 0.0544(7) Uani 1 1 d . . . E 1
O19 O 0.7647(2) 0.53939(5) 0.73324(11) 0.0325(6) Uani 1 1 d . . . . .
O7 O 0.3998(3) 0.46293(4) 0.76326(12) 0.0336(6) Uani 1 1 d . . . . .
O16 O 0.6740(3) 0.45232(5) 0.70257(13) 0.0376(6) Uani 1 1 d . . . . .
F22 F 0.5017(3) 0.50869(5) 0.79438(14) 0.0582(8) Uani 1 1 d . . . . .
O13 O 0.1661(3) 0.41440(5) 0.50973(13) 0.0407(6) Uani 1 1 d . . . . .
F16A F 1.2819(7) 0.53350(13) 0.8907(3) 0.0494(17) Uani 0.75 1 d . . P D 1
O14 O 0.3528(3) 0.35364(4) 0.59611(13) 0.0426(7) Uani 1 1 d . . . . .
O6 O 0.2175(3) 0.36223(5) 0.88888(15) 0.0424(7) Uani 1 1 d . . . . .
F23 F 0.7022(3) 0.49933(4) 0.78073(14) 0.0575(8) Uani 1 1 d . . . . .
O15 O 0.8169(3) 0.43039(6) 0.51782(14) 0.0440(7) Uani 1 1 d . . . . .
F24 F 0.5747(3) 0.50452(5) 0.70093(14) 0.0608(8) Uani 1 1 d . . . . .
O21 O 1.2610(2) 0.21919(5) 0.91264(15) 0.0408(7) Uani 1 1 d . . . F 1
O9 O 0.4011(3) 0.29974(5) 0.93933(12) 0.0380(6) Uani 1 1 d . . . . .
F43 F 1.5210(3) 0.18182(5) 0.88516(17) 0.0712(10) Uani 1 1 d . . . G 1
O5 O 0.3111(3) 0.41141(5) 1.04128(12) 0.0404(6) Uani 1 1 d . . . . .
O3 O 0.8121(3) 0.38553(5) 0.76474(16) 0.0460(7) Uani 1 1 d . . . . .
F48A F 1.128(3) 0.1469(5) 1.0133(16) 0.056(4) Uani 0.5 1 d . U P H 1
O4 O 0.6694(3) 0.34271(5) 0.60530(13) 0.0444(7) Uani 1 1 d . . . . .
O8 O 0.7771(3) 0.43321(6) 0.82413(16) 0.0510(8) Uani 1 1 d . . . . .
F52A F 0.820(3) 0.2018(4) 0.9478(16) 0.042(3) Uani 0.5 1 d . U P I 1
F45 F 1.3176(4) 0.17800(5) 0.86952(15) 0.0691(9) Uani 1 1 d . . . G 1
F39 F 1.5359(3) 0.20245(7) 1.00079(16) 0.0801(11) Uani 1 1 d . . . E 1
O12 O 0.8218(3) 0.34071(6) 1.16579(18) 0.0586(9) Uani 1 1 d . . . . .
O22 O 1.0715(3) 0.18948(5) 0.95427(15) 0.0408(7) Uani 1 1 d . . . . .
F18A F 1.2070(4) 0.50550(8) 0.8379(2) 0.0440(10) Uani 0.75 1 d . . P D 1
F38 F 1.3540(4) 0.21604(6) 1.02693(14) 0.0763(10) Uani 1 1 d . . . E 1
O11 O 0.6599(4) 0.40048(5) 1.06985(16) 0.0546(9) Uani 1 1 d . . . . .
F44 F 1.4245(4) 0.20159(6) 0.81383(13) 0.0750(10) Uani 1 1 d . . . G 1
O2 O 0.6267(3) 0.28139(5) 0.86659(17) 0.0505(8) Uani 1 1 d . . . . .
F1A F 1.1658(4) 0.50204(7) 0.56165(18) 0.0466(10) Uani 0.75 1 d . . P J 1
C27 C 0.4409(3) 0.45514(6) 0.80870(16) 0.0260(6) Uani 1 1 d . . . . .
C56 C 0.6289(3) 0.44773(6) 0.65522(16) 0.0268(7) Uani 1 1 d . . . . .
C35 C 0.2849(3) 0.31810(6) 1.09170(16) 0.0258(6) Uani 1 1 d . . . . .
F3A F 1.0494(4) 0.53207(6) 0.55496(16) 0.0558(10) Uani 0.75 1 d . . P J 1
C49 C 0.3866(4) 0.36937(6) 0.56876(16) 0.0304(7) Uani 1 1 d . . . . .
C34 C 0.4259(3) 0.30429(6) 0.99020(16) 0.0272(7) Uani 1 1 d . . . . .
C42 C 0.7201(4) 0.34637(6) 1.15248(18) 0.0361(8) Uani 1 1 d . . . . .
F47A F 1.0793(6) 0.17410(11) 1.0748(3) 0.0433(14) Uani 0.5 1 d . . P H 1
C48 C 0.2706(4) 0.40795(6) 0.51532(16) 0.0292(7) Uani 1 1 d . . . . .
F50A F 1.0681(11) 0.15445(17) 0.8889(5) 0.049(2) Uani 0.5 1 d . U P K 1
C65 C 0.6453(3) 0.53717(5) 0.75611(13) 0.0188(5) Uani 1 1 d . . . . .
C55 C 0.7176(3) 0.43364(6) 0.53853(17) 0.0295(7) Uani 1 1 d . . . . .
C21 C 0.2383(3) 0.38127(7) 0.89281(17) 0.0320(7) Uani 1 1 d . . . . .
F2A F 1.2137(4) 0.53175(10) 0.6154(2) 0.0630(13) Uani 0.75 1 d . . P J 1
F51A F 0.8800(9) 0.16697(18) 0.8738(4) 0.054(2) Uani 0.5 1 d . . P K 1
C14 C 0.6976(4) 0.33967(6) 0.65648(18) 0.0334(8) Uani 1 1 d . . . . .
C68 C 0.5483(3) 0.55020(6) 0.71272(16) 0.0277(7) Uani 1 1 d . . . . .
C54 C 0.3517(4) 0.46188(6) 0.55386(17) 0.0286(7) Uani 1 1 d . . . . .
H54 H 0.269467 0.456986 0.568068 0.034 Uiso 1 1 calc R U . . .
C31 C 0.5763(4) 0.29700(6) 1.16925(17) 0.0336(8) Uani 1 1 d . . . . .
H31 H 0.602334 0.306401 1.203222 0.040 Uiso 1 1 calc R U . . .
C53 C 0.4422(4) 0.47532(6) 0.58791(19) 0.0351(8) Uani 1 1 d . . . . .
H53 H 0.431355 0.481033 0.628916 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7864(4) 0.36698(7) 0.75638(18) 0.0337(8) Uani 1 1 d . . . . .
F7A F 1.0455(6) 0.48770(6) 0.73745(17) 0.0799(16) Uani 0.75 1 d . . P J 1
C43 C 0.5419(4) 0.36814(7) 0.45946(19) 0.0393(9) Uani 1 1 d . . . . .
H43 H 0.556719 0.353433 0.476080 0.047 Uiso 1 1 calc R U . . .
C50 C 0.4049(4) 0.45700(6) 0.49504(16) 0.0279(7) Uani 1 1 d . . . . .
H50 H 0.364401 0.448351 0.462733 0.034 Uiso 1 1 calc R U . . .
C46 C 0.4460(4) 0.39888(6) 0.41232(16) 0.0331(8) Uani 1 1 d . . . . .
H46 H 0.384256 0.408350 0.391630 0.040 Uiso 1 1 calc R U . . .
C73 C 1.3847(3) 0.21201(5) 0.91846(15) 0.0227(6) Uani 1 1 d . . . . .
C33 C 0.5791(4) 0.27703(6) 1.07821(19) 0.0351(8) Uani 1 1 d . . . . .
H33 H 0.607051 0.270605 1.040121 0.042 Uiso 1 1 calc R U . . .
C66 C 0.6372(3) 0.54709(6) 0.82330(15) 0.0269(7) Uani 1 1 d . . . . .
C28 C 0.6785(4) 0.43605(7) 0.84605(18) 0.0353(8) Uani 1 1 d . . . . .
C30 C 0.4538(4) 0.28628(6) 1.16135(17) 0.0339(8) Uani 1 1 d . . . . .
H30 H 0.382998 0.287237 1.189022 0.041 Uiso 1 1 calc R U . . .
C45 C 0.5720(4) 0.40517(7) 0.43142(16) 0.0331(8) Uani 1 1 d . . . . .
H45 H 0.610734 0.419609 0.425817 0.040 Uiso 1 1 calc R U . . .
C64 C 1.1893(3) 0.52722(7) 0.84749(16) 0.0336(8) Uani 1 1 d D . . . .
C51 C 0.5278(4) 0.46718(6) 0.49271(18) 0.0338(8) Uani 1 1 d . . . . .
H51 H 0.585294 0.466460 0.458638 0.041 Uiso 1 1 calc R U . . .
C41 C 0.6192(4) 0.38419(7) 1.09224(19) 0.0386(9) Uani 1 1 d . . . . .
C44 C 0.6314(4) 0.38609(7) 0.46064(18) 0.0378(9) Uani 1 1 d . . . . .
H44 H 0.716983 0.385575 0.477994 0.045 Uiso 1 1 calc R U . . .
F72B F 0.9640(6) 0.20353(10) 0.6841(3) 0.0429(14) Uani 0.5 1 d D . P F 1
C20 C 0.2962(4) 0.41240(6) 0.98837(17) 0.0297(7) Uani 1 1 d . . . . .
C7 C 0.5790(3) 0.29163(6) 0.8271(2) 0.0344(8) Uani 1 1 d . . . . .
C23 C 0.4656(5) 0.47772(7) 0.93098(19) 0.0420(10) Uani 1 1 d . . . . .
H23 H 0.408950 0.487875 0.909421 0.050 Uiso 1 1 calc R U . . .
C32 C 0.6532(4) 0.29116(6) 1.11732(19) 0.0348(8) Uani 1 1 d . . . . .
H32 H 0.739674 0.296015 1.110381 0.042 Uiso 1 1 calc R U . . .
C8 C 0.8872(4) 0.31365(7) 0.8150(2) 0.0419(10) Uani 1 1 d . . . . .
H8 H 0.867751 0.312021 0.857929 0.050 Uiso 1 1 calc R U . . .
C74 C 1.4112(4) 0.20299(8) 0.9858(2) 0.0442(10) Uani 1 1 d . . . E 1
C47 C 0.4264(4) 0.37560(7) 0.42948(17) 0.0368(8) Uani 1 1 d . . . . .
H47 H 0.350086 0.366894 0.422030 0.044 Uiso 1 1 calc R U . . .
C29 C 0.4559(4) 0.27391(6) 1.10477(18) 0.0333(8) Uani 1 1 d . . . . .
H29 H 0.386703 0.265071 1.087709 0.040 Uiso 1 1 calc R U . . .
C52 C 0.5518(4) 0.47877(6) 0.5501(2) 0.0395(9) Uani 1 1 d . . . . .
H52 H 0.627365 0.487241 0.561030 0.047 Uiso 1 1 calc R U . . .
C86 C 1.0027(3) 0.21839(6) 0.78695(15) 0.0290(7) Uani 1 1 d D U . . .
C9 C 0.9579(4) 0.33156(7) 0.7881(2) 0.0406(9) Uani 1 1 d . . . . .
H9 H 0.995275 0.343981 0.810120 0.049 Uiso 1 1 calc R U . . .
F46A F 0.9357(5) 0.14840(10) 1.0572(3) 0.0467(14) Uani 0.5 1 d . . P H 1
C38 C 0.3953(5) 0.34711(7) 1.21210(19) 0.0435(10) Uani 1 1 d . . . . .
H38 H 0.362818 0.332166 1.216894 0.052 Uiso 1 1 calc R U . . .
F8A F 1.2277(5) 0.49816(9) 0.6954(2) 0.0791(14) Uani 0.75 1 d . . P J 1
C25 C 0.6487(5) 0.45855(8) 0.9622(2) 0.0479(11) Uani 1 1 d . . . . .
H25 H 0.736204 0.453537 0.965849 0.058 Uiso 1 1 calc R U . . .
F53A F 0.8458(5) 0.19472(11) 1.0451(3) 0.0425(14) Uani 0.5 1 d . . P I 1
C77 C 0.9864(3) 0.17429(6) 0.97443(16) 0.0276(7) Uani 1 1 d . . . . .
C24 C 0.6018(5) 0.47603(7) 0.9221(2) 0.0458(11) Uani 1 1 d . . . . .
H24 H 0.652030 0.484897 0.894490 0.055 Uiso 1 1 calc R U . . .
C22 C 0.4275(5) 0.46198(7) 0.97685(18) 0.0423(10) Uani 1 1 d . . . . .
H22 H 0.342281 0.459815 0.992048 0.051 Uiso 1 1 calc R U . . .
C40 C 0.4154(5) 0.38403(7) 1.1815(2) 0.0482(11) Uani 1 1 d . . . . .
H40 H 0.398920 0.398222 1.162012 0.058 Uiso 1 1 calc R U . . .
C39 C 0.3374(4) 0.36441(7) 1.1759(2) 0.0444(10) Uani 1 1 d . . . . .
H39 H 0.259325 0.363109 1.151798 0.053 Uiso 1 1 calc R U . . .
C26 C 0.5426(5) 0.44989(7) 0.99596(18) 0.0439(10) Uani 1 1 d . . . . .
H26 H 0.546943 0.438099 1.026079 0.053 Uiso 1 1 calc R U . . .
F49A F 0.9070(6) 0.13881(8) 0.9349(3) 0.0453(13) Uani 0.5 1 d . . P K 1
C57A C 1.0291(5) 0.51109(9) 0.6480(2) 0.0235(11) Uani 0.75 1 d D U P J 1
C37 C 0.5100(5) 0.35584(7) 1.24002(18) 0.0448(10) Uani 1 1 d . . . . .
H37 H 0.568538 0.347765 1.266645 0.054 Uiso 1 1 calc R U . . .
C36 C 0.5227(5) 0.37873(7) 1.2215(2) 0.0468(11) Uani 1 1 d . . . . .
H36 H 0.590822 0.388748 1.233592 0.056 Uiso 1 1 calc R U . . .
C10 C 0.9638(4) 0.32797(7) 0.7229(2) 0.0397(9) Uani 1 1 d . . . . .
H10 H 1.004855 0.337495 0.693496 0.048 Uiso 1 1 calc R U . . .
C11 C 0.8963(4) 0.30733(7) 0.7096(2) 0.0403(9) Uani 1 1 d . . . . .
H11 H 0.884063 0.300624 0.669654 0.048 Uiso 1 1 calc R U . . .
C12 C 0.8511(4) 0.29868(7) 0.7667(2) 0.0436(10) Uani 1 1 d . . . . .
H12 H 0.803917 0.284989 0.771603 0.052 Uiso 1 1 calc R U . . .
C90 C 0.9849(5) 0.35236(9) 0.9980(2) 0.0530(12) Uani 1 1 d . . . . .
H90A H 0.931699 0.341183 1.020569 0.064 Uiso 1 1 calc R U . . .
H90B H 1.065350 0.344718 0.984759 0.064 Uiso 1 1 calc R U . . .
C67 C 0.6046(4) 0.51188(7) 0.75829(19) 0.0394(9) Uani 1 1 d . . . . .
C76 C 1.4123(5) 0.19300(7) 0.8717(2) 0.0467(11) Uani 1 1 d . . . G 1
F70B F 1.0070(11) 0.17957(11) 0.7564(3) 0.085(3) Uani 0.5 1 d D . P F 1
O1A O 0.2436(4) 0.31663(9) 0.8361(3) 0.0386(11) Uani 0.57 1 d . . P L 1
C58A C 1.1176(6) 0.51926(9) 0.5944(3) 0.0347(11) Uani 0.75 1 d D U P J 1
C6A C 0.3369(7) 0.31413(11) 0.8102(3) 0.0268(12) Uani 0.57 1 d . . P L 1
F71B F 1.1576(7) 0.20015(18) 0.7262(4) 0.085(3) Uani 0.5 1 d D . P F 1
C60A C 1.1049(9) 0.49161(11) 0.6845(3) 0.0634(17) Uani 0.75 1 d D U P J 1
C91 C 0.9802(10) 0.39770(19) 0.6356(6) 0.044(2) Uani 0.5 1 d . . P C 1
H91A H 1.006580 0.399501 0.591661 0.053 Uiso 0.5 1 calc R U P C 1
H91B H 0.898485 0.388867 0.635763 0.053 Uiso 0.5 1 calc R U P C 1
C89A C 1.0279(10) 0.19983(15) 0.7378(4) 0.046(3) Uani 0.5 1 d D U P F 1
C78A C 1.0289(7) 0.16108(12) 1.0312(4) 0.0322(15) Uani 0.5 1 d . . P H 1
C80A C 0.8446(6) 0.18551(12) 0.9900(3) 0.0263(13) Uani 0.5 1 d . . P I 1
C79A C 0.9591(8) 0.15798(12) 0.9173(4) 0.0343(16) Uani 0.5 1 d . . P K 1
O1B O 0.6320(8) 0.28644(13) 0.6483(4) 0.0485(18) Uani 0.43 1 d . . P L 2
C6B C 0.5866(10) 0.29622(17) 0.6888(6) 0.036(2) Uani 0.43 1 d . . P L 2
Cl6 Cl 0.0059(5) 0.42013(9) 0.6568(2) 0.0755(12) Uani 0.5 1 d D U P M 2
Cl5 Cl 0.1352(3) 0.38012(6) 0.71057(16) 0.0583(7) Uani 0.5 1 d D U P M 2
C92 C 0.0440(13) 0.39122(14) 0.6466(4) 0.065(4) Uani 0.5 1 d D U P M 2
H92A H 0.094277 0.389414 0.607995 0.079 Uiso 0.5 1 calc R U P M 2
H92B H -0.037564 0.382470 0.641439 0.079 Uiso 0.5 1 calc R U P M 2
P7 P 0.6225(15) 0.4021(3) 0.6178(8) 0.0186(14) Uani 0.37 1 d . U P A 2
As8 As 0.393(2) 0.4161(3) 0.6286(10) 0.0178(13) Uani 0.21 1 d . U P A 2
P6 P 0.4211(16) 0.3491(3) 1.0319(7) 0.0254(17) Uani 0.47 1 d . U P B 2
As5 As 0.6310(9) 0.3394(2) 1.0339(4) 0.0281(13) Uani 0.34 1 d . U P B 2
F69B F 0.8212(6) 0.23442(17) 0.8371(3) 0.093(3) Uani 0.5 1 d D U P F 2
F67 F 0.7902(3) 0.20404(7) 0.78134(17) 0.0818(11) Uani 1 1 d D . . . .
F68B F 0.8076(5) 0.23438(9) 0.7385(3) 0.0435(11) Uani 0.5 1 d D . P F 2
C88B C 0.8554(10) 0.22385(18) 0.7879(5) 0.052(3) Uani 0.5 1 d D U P F 2
C87B C 1.080(3) 0.2413(3) 0.7658(12) 0.032(3) Uani 0.5 1 d . U P F 2
F64B F 1.0286(8) 0.25775(10) 0.8013(3) 0.0632(18) Uani 0.5 1 d . U P F 2
F66 F 1.2001(3) 0.23956(5) 0.78745(14) 0.0609(8) Uani 1 1 d . . . . .
F65B F 1.0592(8) 0.24590(11) 0.7099(3) 0.0548(18) Uani 0.5 1 d . . P F 2
O24A O 1.0403(7) 0.20996(10) 0.8435(3) 0.0244(13) Uani 0.5 1 d . . P F 1
C82 C 1.0144(3) 0.25565(6) 0.98584(15) 0.0254(6) Uani 1 1 d . . . . .
C84A C 0.9985(18) 0.2559(3) 1.0587(8) 0.039(3) Uani 0.5 1 d . U P F 1
F58A F 1.0038(7) 0.27723(11) 1.0801(3) 0.0524(16) Uani 0.5 1 d . . P F 1
F60A F 0.8859(18) 0.2467(3) 1.0770(9) 0.049(3) Uani 0.5 1 d . U P F 1
C85A C 0.8866(17) 0.2698(2) 0.9735(7) 0.048(4) Uani 0.5 1 d . . P F 1
F63A F 0.8903(6) 0.27916(11) 0.9162(4) 0.0602(18) Uani 0.5 1 d . . P F 1
F62A F 0.7922(16) 0.2542(3) 0.9778(7) 0.071(4) Uani 0.5 1 d . . P F 1
F61A F 0.8704(8) 0.28558(13) 1.0167(5) 0.076(3) Uani 0.5 1 d . . P F 1
C83 C 1.1262(4) 0.27169(7) 0.96643(18) 0.0354(8) Uani 1 1 d . . . . .
F57 F 1.2346(3) 0.26634(5) 0.99735(15) 0.0624(8) Uani 1 1 d . . . . .
F56 F 1.1525(3) 0.26938(5) 0.90692(12) 0.0585(8) Uani 1 1 d . . . . .
F55 F 1.1032(3) 0.29334(4) 0.97702(17) 0.0715(10) Uani 1 1 d . . . . .
C61A C 1.0505(8) 0.53310(10) 0.8681(3) 0.0232(11) Uani 0.75 1 d D U P D 1
O23A O 1.0416(6) 0.23333(11) 0.9723(3) 0.0259(12) Uani 0.5 1 d . . P F 1
C3B C 0.2782(8) 0.32389(15) 0.7299(5) 0.035(2) Uani 0.43 1 d . . P L 2
H3B H 0.261968 0.339071 0.717366 0.043 Uiso 0.43 1 calc R U P L 2
C2B C 0.3109(10) 0.3054(2) 0.6896(5) 0.037(2) Uani 0.43 1 d . . P L 2
H2B H 0.320396 0.306131 0.645615 0.045 Uiso 0.43 1 calc R U P L 2
C1B C 0.3265(9) 0.28588(17) 0.7274(4) 0.0303(17) Uani 0.43 1 d . . P L 2
H1B H 0.348790 0.271215 0.712845 0.036 Uiso 0.43 1 calc R U P L 2
C5B C 0.3034(7) 0.29174(13) 0.7902(4) 0.0260(15) Uani 0.43 1 d . . P L 2
H5B H 0.306823 0.281685 0.824802 0.031 Uiso 0.43 1 calc R U P L 2
C4B C 0.2743(9) 0.31530(15) 0.7926(5) 0.0302(18) Uani 0.43 1 d . . P L 2
H4B H 0.255704 0.323788 0.829055 0.036 Uiso 0.43 1 calc R U P L 2
C3A C 0.5260(8) 0.27412(11) 0.7079(3) 0.0409(16) Uani 0.57 1 d . . P L 1
H3A H 0.585270 0.263191 0.724215 0.049 Uiso 0.57 1 calc R U P L 1
C4A C 0.5542(10) 0.29101(14) 0.6632(4) 0.0403(19) Uani 0.57 1 d . . P L 1
H4A H 0.635433 0.293286 0.643857 0.048 Uiso 0.57 1 calc R U P L 1
C5A C 0.4401(8) 0.30386(12) 0.6525(3) 0.0396(16) Uani 0.57 1 d . . P L 1
H5A H 0.430965 0.316543 0.625491 0.048 Uiso 0.57 1 calc R U P L 1
C1A C 0.3416(10) 0.29423(17) 0.6897(5) 0.045(2) Uani 0.57 1 d . . P L 1
H1A H 0.253876 0.299185 0.690929 0.053 Uiso 0.57 1 calc R U P L 1
C2A C 0.3946(9) 0.27638(14) 0.7240(4) 0.0426(17) Uani 0.57 1 d . . P L 1
H2A H 0.349959 0.267287 0.753193 0.051 Uiso 0.57 1 calc R U P L 1
C19 C 0.1378(4) 0.43208(7) 0.8167(2) 0.0397(9) Uani 1 1 d . . . . .
H19 H 0.165944 0.432825 0.774783 0.048 Uiso 1 1 calc R U . . .
C15 C 0.1599(4) 0.44851(7) 0.8633(2) 0.0383(9) Uani 1 1 d . . . . .
H15 H 0.204586 0.462451 0.858288 0.046 Uiso 1 1 calc R U . . .
C16 C 0.1035(4) 0.44057(8) 0.9193(2) 0.0437(10) Uani 1 1 d . . . . .
H16 H 0.105106 0.448189 0.958370 0.052 Uiso 1 1 calc R U . . .
C17 C 0.0450(4) 0.41944(8) 0.9068(2) 0.0460(11) Uani 1 1 d . . . . .
H17 H -0.000586 0.410319 0.935611 0.055 Uiso 1 1 calc R U . . .
C18 C 0.0666(4) 0.41436(8) 0.8435(2) 0.0448(10) Uani 1 1 d . . . . .
H18 H 0.037738 0.401095 0.822299 0.054 Uiso 1 1 calc R U . . .
C75 C 1.4746(4) 0.23252(7) 0.9062(2) 0.0401(9) Uani 1 1 d . . . . .
F42 F 1.4330(2) 0.24398(4) 0.85680(14) 0.0523(7) Uani 1 1 d . . . . .
F40 F 1.5959(2) 0.22604(5) 0.89560(17) 0.0629(9) Uani 1 1 d . . . . .
F41 F 1.4762(3) 0.24646(5) 0.95471(17) 0.0668(9) Uani 1 1 d . . . . .
C62A C 1.0086(5) 0.51552(10) 0.9170(2) 0.0339(10) Uani 0.75 1 d D U P D 1
F12A F 0.9032(3) 0.52274(7) 0.94708(13) 0.0434(8) Uani 0.75 1 d . . P D 1
F10A F 1.1016(3) 0.51153(7) 0.96055(15) 0.0532(10) Uani 0.75 1 d . . P D 1
F11A F 0.9768(6) 0.49596(8) 0.8905(3) 0.0492(13) Uani 0.75 1 d . . P D 1
C63A C 1.0502(6) 0.55742(11) 0.8981(3) 0.0351(13) Uani 0.75 1 d D . P D 1
F14A F 0.9294(3) 0.56522(6) 0.90103(17) 0.0448(8) Uani 0.75 1 d . . P D 1
F15A F 1.1209(3) 0.57176(6) 0.86693(15) 0.0447(8) Uani 0.75 1 d . . P D 1
F13A F 1.0975(3) 0.55726(7) 0.95754(17) 0.0488(9) Uani 0.75 1 d . . P D 1
F59A F 1.0972(7) 0.24472(12) 1.0864(3) 0.0597(18) Uani 0.5 1 d . . P F 1
C61B C 1.037(3) 0.5264(3) 0.8692(9) 0.025(3) Uani 0.25 1 d D U P D 2
C62B C 0.992(3) 0.5021(3) 0.8864(12) 0.030(3) Uani 0.25 1 d D U P D 2
F11B F 0.8834(9) 0.50504(17) 0.9225(6) 0.047(3) Uani 0.25 1 d . . P D 2
F12B F 1.0830(9) 0.49264(15) 0.9237(5) 0.038(2) Uani 0.25 1 d . . P D 2
F10B F 0.9644(10) 0.49043(15) 0.8377(6) 0.051(3) Uani 0.25 1 d . . P D 2
F17B F 1.212(3) 0.5436(5) 0.8122(10) 0.046(5) Uani 0.25 1 d . . P D 2
F18B F 1.1972(15) 0.5071(3) 0.8098(5) 0.052(4) Uani 0.25 1 d . . P D 2
F16B F 1.2610(19) 0.5247(4) 0.8942(11) 0.044(5) Uani 0.25 1 d . . P D 2
C63B C 1.0314(12) 0.5434(2) 0.9239(6) 0.021(2) Uani 0.25 1 d D . P D 2
F15B F 1.1043(12) 0.56153(16) 0.9158(6) 0.042(2) Uani 0.25 1 d . . P D 2
F13B F 1.0729(8) 0.53405(19) 0.9765(3) 0.038(2) Uani 0.25 1 d . . P D 2
F14B F 0.9111(8) 0.55072(16) 0.9320(4) 0.0294(17) Uani 0.25 1 d . . P D 2
O17 O 1.0084(3) 0.52723(5) 0.68927(13) 0.0410(7) Uani 1 1 d D . . . .
C58B C 1.1590(17) 0.5212(3) 0.6250(8) 0.036(3) Uani 0.25 1 d D U P J 2
F2B F 1.2420(9) 0.51762(19) 0.6653(5) 0.045(2) Uani 0.25 1 d . . P J 2
F3B F 1.1648(15) 0.5437(2) 0.6183(8) 0.078(5) Uani 0.25 1 d . . P J 2
F1B F 1.2052(12) 0.5115(2) 0.5739(6) 0.043(3) Uani 0.25 1 d . . P J 2
C89B C 1.0575(9) 0.19573(17) 0.7595(4) 0.052(3) Uani 0.5 1 d D U P F 2
F1 F 1.0107(9) 0.17939(12) 0.7921(4) 0.078(2) Uani 0.5 1 d D . P F 2
F2 F 1.1858(7) 0.19544(14) 0.7627(4) 0.075(2) Uani 0.5 1 d D . P F 2
F3 F 1.0181(9) 0.19275(18) 0.7008(4) 0.092(3) Uani 0.5 1 d D . P F 2
C88A C 0.8598(10) 0.22297(19) 0.7657(5) 0.055(3) Uani 0.5 1 d D U P F 1
F69A F 0.8105(6) 0.24002(13) 0.7969(3) 0.0649(17) Uani 0.5 1 d D U P F 1
F68A F 0.8527(7) 0.22769(18) 0.7045(3) 0.090(3) Uani 0.5 1 d D . P F 1
C87A C 1.087(3) 0.2359(3) 0.7618(14) 0.049(4) Uani 0.5 1 d . U P F 1
F64A F 1.0343(7) 0.25858(13) 0.7639(4) 0.075(2) Uani 0.5 1 d . U P F 1
F65A F 1.1172(8) 0.23460(18) 0.6992(3) 0.078(3) Uani 0.5 1 d . . P F 1
C78B C 0.9942(9) 0.17900(15) 1.0458(4) 0.0417(19) Uani 0.5 1 d . . P H 2
F46B F 0.9149(7) 0.19637(11) 1.0581(3) 0.0544(16) Uani 0.5 1 d . . P H 2
F47B F 1.1122(7) 0.18423(14) 1.0663(3) 0.0591(19) Uani 0.5 1 d . . P H 2
F48B F 0.9519(6) 0.16154(13) 1.0796(3) 0.0576(16) Uani 0.5 1 d . . P H 2
F53B F 0.820(3) 0.1979(4) 0.9403(16) 0.061(5) Uani 0.5 1 d . U P H 2
C80B C 0.8524(9) 0.17644(16) 0.9481(5) 0.046(2) Uani 0.5 1 d . . P H 2
F52B F 0.8405(9) 0.1663(2) 0.8923(4) 0.061(2) Uani 0.5 1 d . . P H 2
F54 F 0.7566(2) 0.16925(5) 0.98652(13) 0.0485(6) Uani 1 1 d . . . . .
F50B F 1.137(4) 0.1448(6) 1.0015(18) 0.075(7) Uani 0.5 1 d . U P H 2
C79B C 1.0384(8) 0.14952(14) 0.9644(5) 0.045(2) Uani 0.5 1 d . . P H 2
F49B F 0.9494(6) 0.13407(9) 0.9784(4) 0.068(2) Uani 0.5 1 d . . P H 2
F51B F 1.0779(15) 0.1467(2) 0.9077(6) 0.079(4) Uani 0.5 1 d . U P H 2
C84B C 1.0354(19) 0.2508(3) 1.0548(10) 0.050(4) Uani 0.5 1 d . U P F 2
F58B F 1.0753(10) 0.26828(13) 1.0884(3) 0.077(2) Uani 0.5 1 d . . P F 2
F60B F 0.923(2) 0.2431(4) 1.0766(11) 0.076(5) Uani 0.5 1 d . U P F 2
F59B F 1.1186(8) 0.23390(12) 1.0634(3) 0.070(2) Uani 0.5 1 d . . P F 2
C85B C 0.8821(12) 0.2631(2) 0.9570(5) 0.037(3) Uani 0.5 1 d . . P F 2
F61B F 0.8348(6) 0.28174(13) 0.9818(3) 0.0522(16) Uani 0.5 1 d . . P F 2
F62B F 0.7906(15) 0.2484(3) 0.9592(6) 0.070(4) Uani 0.5 1 d . . P F 2
F63B F 0.8976(7) 0.26652(12) 0.8953(3) 0.0552(16) Uani 0.5 1 d . . P F 2
O24B O 1.0148(6) 0.21921(12) 0.8483(3) 0.0267(13) Uani 0.5 1 d . . P F 2
O23B O 1.0146(6) 0.23777(9) 0.9496(3) 0.0204(10) Uani 0.5 1 d . . P F 2
F5B F 0.8953(12) 0.5461(2) 0.6059(5) 0.067(3) Uani 0.25 1 d . U P J 2
C59B C 0.923(2) 0.5257(5) 0.5914(8) 0.068(3) Uani 0.25 1 d D U P J 2
F4B F 0.9549(14) 0.5232(3) 0.5353(5) 0.076(3) Uani 0.25 1 d . U P J 2
C59A C 0.8991(7) 0.50246(16) 0.6193(3) 0.0705(17) Uani 0.75 1 d D U P J 1
F4A F 0.8362(6) 0.49055(10) 0.6642(3) 0.099(2) Uani 0.75 1 d . U P J 1
F6 F 0.8194(3) 0.51820(8) 0.60112(16) 0.0858(12) Uani 1 1 d . U . . .
F5A F 0.9157(5) 0.48903(11) 0.5712(2) 0.0981(19) Uani 0.75 1 d . U P J 1
C60B C 1.0128(12) 0.4883(2) 0.6386(5) 0.062(2) Uani 0.25 1 d D U P J 2
F7B F 0.9040(12) 0.48064(18) 0.6642(6) 0.063(3) Uani 0.25 1 d D U P J 2
F9B F 1.0116(11) 0.48123(17) 0.5786(5) 0.058(3) Uani 0.25 1 d D U P J 2
F9A F 1.1052(7) 0.47247(8) 0.6526(2) 0.0840(16) Uani 0.75 1 d . U P J 1
O20A O 0.969(2) 0.5711(5) 0.7421(11) 0.016(2) Uani 0.4 1 d . U P N 1
C69A C 0.9918(13) 0.5887(6) 0.7091(10) 0.0266(19) Uani 0.4 1 d D U P N 1
C70A C 0.9559(8) 0.58537(12) 0.6379(4) 0.0268(16) Uani 0.4 1 d D U P N 1
F30A F 1.0530(8) 0.57645(18) 0.6076(4) 0.042(2) Uani 0.4 1 d D . P N 1
F28A F 0.917(2) 0.6044(2) 0.6108(6) 0.038(3) Uani 0.4 1 d D . P N 1
F29A F 0.8600(14) 0.5703(2) 0.6342(10) 0.029(3) Uani 0.4 1 d D . P N 1
C72A C 0.8999(8) 0.60726(14) 0.7366(4) 0.0309(16) Uani 0.4 1 d D U P N 1
F35A F 0.908(2) 0.6061(4) 0.7990(7) 0.043(5) Uani 0.4 1 d D U P N 1
F36A F 0.7790(13) 0.6013(3) 0.7191(5) 0.040(4) Uani 0.4 1 d D U P N 1
F34A F 0.9298(10) 0.62815(11) 0.7194(4) 0.0455(19) Uani 0.4 1 d D U P N 1
C71A C 1.1344(10) 0.59774(17) 0.7139(4) 0.0372(16) Uani 0.4 1 d D U P N 1
F33A F 1.1604(9) 0.60644(19) 0.7702(4) 0.041(2) Uani 0.4 1 d D U P N 1
F31A F 1.1567(14) 0.61422(19) 0.6719(7) 0.046(2) Uani 0.4 1 d D U P N 1
F32A F 1.2187(18) 0.5810(3) 0.7051(10) 0.038(3) Uani 0.4 1 d D U P N 1
O20B O 1.0062(15) 0.5676(3) 0.7255(6) 0.014(2) Uani 0.24 1 d . U P N 2
C69B C 1.0041(17) 0.5905(6) 0.7259(8) 0.031(2) Uani 0.24 1 d D U P N 2
C70B C 0.8759(16) 0.6013(2) 0.6992(7) 0.037(2) Uani 0.24 1 d D U P N 2
F30B F 0.8478(11) 0.5916(2) 0.6450(5) 0.047(3) Uani 0.24 1 d D U P N 2
F28B F 0.8825(12) 0.62343(18) 0.6905(6) 0.049(3) Uani 0.24 1 d D U P N 2
F29B F 0.7781(18) 0.5970(3) 0.7370(7) 0.037(3) Uani 0.24 1 d D U P N 2
C72B C 1.0217(12) 0.5995(2) 0.7944(7) 0.039(3) Uani 0.24 1 d D U P N 2
F34B F 1.1400(10) 0.5959(2) 0.8166(5) 0.046(2) Uani 0.24 1 d D U P N 2
F35B F 0.9393(10) 0.58893(15) 0.8312(4) 0.037(2) Uani 0.24 1 d D U P N 2
F36B F 0.9995(13) 0.62176(16) 0.8006(5) 0.051(2) Uani 0.24 1 d D U P N 2
C71B C 1.1224(17) 0.5989(3) 0.6873(7) 0.039(2) Uani 0.24 1 d D U P N 2
F32B F 1.2294(19) 0.5875(3) 0.7008(13) 0.037(3) Uani 0.24 1 d D U P N 2
F33B F 1.1514(14) 0.6204(2) 0.6985(6) 0.046(2) Uani 0.24 1 d D U P N 2
F31B F 1.0995(10) 0.5962(2) 0.6268(5) 0.047(2) Uani 0.24 1 d D U P N 2
C57B C 1.0164(15) 0.5144(3) 0.6402(6) 0.040(4) Uani 0.25 1 d D U P J 2
F8B F 1.1171(15) 0.4801(2) 0.6701(7) 0.073(3) Uani 0.25 1 d D U P J 2
O1 O 0.990(2) 0.5687(5) 0.7495(12) 0.016(3) Uani 0.36 1 d . U P N 3
C69C C 0.9986(13) 0.5894(7) 0.7153(10) 0.021(2) Uani 0.36 1 d D U P N 3
C71C C 1.0099(10) 0.60890(17) 0.7638(5) 0.037(2) Uani 0.36 1 d D . P N 3
F33C F 0.917(3) 0.6072(5) 0.8067(9) 0.045(5) Uani 0.36 1 d D . P N 3
F31C F 0.9947(9) 0.62916(13) 0.7359(5) 0.051(2) Uani 0.36 1 d D . P N 3
F32C F 1.1264(9) 0.6089(2) 0.7910(5) 0.043(2) Uani 0.36 1 d D . P N 3
C70C C 1.1258(11) 0.58713(17) 0.6785(5) 0.039(3) Uani 0.36 1 d D . P N 3
F28C F 1.1056(10) 0.5759(2) 0.6254(4) 0.047(2) Uani 0.36 1 d D . P N 3
F29C F 1.2154(18) 0.5765(3) 0.7132(10) 0.047(4) Uani 0.36 1 d D . P N 3
F30C F 1.1731(14) 0.60749(16) 0.6624(7) 0.047(3) Uani 0.36 1 d D . P N 3
C72C C 0.8797(11) 0.59404(17) 0.6717(6) 0.032(2) Uani 0.36 1 d D . P N 3
F36C F 0.8407(17) 0.5756(2) 0.6408(11) 0.029(3) Uani 0.36 1 d D . P N 3
F34C F 0.910(3) 0.6085(3) 0.6265(7) 0.053(5) Uani 0.36 1 d D . P N 3
F35C F 0.7776(16) 0.6030(3) 0.7010(5) 0.037(3) Uani 0.36 1 d D . P N 3


_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
Ag2 As7 2.742(4) . ?
Ag2 P8 2.570(15) . ?
Ag2 P2 2.5009(9) . ?
Ag2 P3 2.4625(9) . ?
Ag2 P7 2.753(17) . ?
Ag2 As8 2.62(2) . ?
Ag1 As6 2.725(5) . ?
Ag1 P5 2.704(14) . ?
Ag1 P4 2.5431(9) . ?
Ag1 P1 2.4863(9) . ?
Ag1 P6 2.715(15) . ?
Ag1 As5 2.652(10) . ?
Mo5 Mo6 3.0323(4) . ?
Mo5 As6 2.657(6) . ?
Mo5 P5 2.476(13) . ?
Mo5 C35 1.998(4) . ?
Mo5 C34 1.983(4) . ?
Mo5 C31 2.366(3) . ?
Mo5 C33 2.311(3) . ?
Mo5 C30 2.333(3) . ?
Mo5 C32 2.353(4) . ?
Mo5 C29 2.298(3) . ?
Mo5 P6 2.487(19) . ?
Mo5 As5 2.519(11) . ?
Mo8 Mo7 3.0403(4) . ?
Mo8 As7 2.614(4) . ?
Mo8 P8 2.485(15) . ?
Mo8 C56 2.000(3) . ?
Mo8 C55 2.003(4) . ?
Mo8 C54 2.354(3) . ?
Mo8 C53 2.307(3) . ?
Mo8 C50 2.369(3) . ?
Mo8 C51 2.317(3) . ?
Mo8 C52 2.290(3) . ?
Mo8 P7 2.613(15) . ?
Mo8 As8 2.46(2) . ?
Mo7 As7 2.509(3) . ?
Mo7 P8 2.518(13) . ?
Mo7 C49 1.984(4) . ?
Mo7 C48 1.996(4) . ?
Mo7 C43 2.300(4) . ?
Mo7 C46 2.331(3) . ?
Mo7 C45 2.372(4) . ?
Mo7 C44 2.350(4) . ?
Mo7 C47 2.296(4) . ?
Mo7 P7 2.728(15) . ?
Mo7 As8 2.686(18) . ?
Mo4 Mo3 3.0310(4) . ?
Mo4 P4 2.4693(9) . ?
Mo4 P3 2.5140(9) . ?
Mo4 C27 1.997(3) . ?
Mo4 C28 1.987(4) . ?
Mo4 C23 2.343(4) . ?
Mo4 C25 2.309(4) . ?
Mo4 C24 2.312(4) . ?
Mo4 C22 2.406(4) . ?
Mo4 C26 2.365(4) . ?
Mo1 Mo2 3.0453(4) . ?
Mo1 P1 2.5263(9) . ?
Mo1 P2 2.4441(9) . ?
Mo1 C7 2.004(4) . ?
Mo1 C6A 1.985(7) . ?
Mo1 C6B 1.953(11) . ?
Mo1 C3B 2.430(8) . ?
Mo1 C2B 2.363(10) . ?
Mo1 C1B 2.282(8) . ?
Mo1 C5B 2.316(7) . ?
Mo1 C4B 2.399(9) . ?
Mo1 C3A 2.369(7) . ?
Mo1 C4A 2.404(8) . ?
Mo1 C5A 2.341(6) . ?
Mo1 C1A 2.293(9) . ?
Mo1 C2A 2.301(7) . ?
Mo2 P1 2.4754(9) . ?
Mo2 P2 2.5228(9) . ?
Mo2 C14 2.008(4) . ?
Mo2 C13 1.999(4) . ?
Mo2 C8 2.355(4) . ?
Mo2 C9 2.311(4) . ?
Mo2 C10 2.291(4) . ?
Mo2 C11 2.321(4) . ?
Mo2 C12 2.367(4) . ?
Mo6 As6 2.516(5) . ?
Mo6 P5 2.625(12) . ?
Mo6 C42 1.999(4) . ?
Mo6 C41 1.983(4) . ?
Mo6 C38 2.366(4) . ?
Mo6 C40 2.294(4) . ?
Mo6 C39 2.338(4) . ?
Mo6 C37 2.328(4) . ?
Mo6 C36 2.289(4) . ?
Mo6 P6 2.513(15) . ?
Mo6 As5 2.563(9) . ?
Mo3 P4 2.5557(9) . ?
Mo3 P3 2.4399(9) . ?
Mo3 C21 1.989(4) . ?
Mo3 C20 2.005(4) . ?
Mo3 C19 2.358(4) . ?
Mo3 C15 2.371(4) . ?
Mo3 C16 2.319(4) . ?
Mo3 C17 2.294(4) . ?
Mo3 C18 2.308(4) . ?
As7 P8 2.270(15) . ?
As6 P5 2.417(14) . ?
P4 P3 2.1056(11) . ?
P1 P2 2.1004(11) . ?
Al1 O18 1.730(2) . ?
Al1 O19 1.723(2) . ?
Al1 O17 1.707(3) . ?
Al1 O20A 1.76(3) . ?
Al1 O20B 1.754(14) . ?
Al1 O1 1.69(3) . ?
Al2 O21 1.710(3) . ?
Al2 O22 1.708(3) . ?
Al2 O24A 1.714(7) . ?
Al2 O23A 1.705(6) . ?
Al2 O24B 1.724(6) . ?
Al2 O23B 1.746(6) . ?
Cl1 C90 1.776(5) . ?
Cl2 C90 1.751(5) . ?
Cl4 C91 1.748(12) . ?
Cl3 C91 1.761(10) . ?
F21 C66 1.336(4) . ?
F26 C68 1.326(4) . ?
F20 C66 1.341(4) . ?
F19 C66 1.327(4) . ?
F17A C64 1.329(9) . ?
F27 C68 1.338(4) . ?
O18 C61A 1.343(8) . ?
O18 C61B 1.33(3) . ?
F25 C68 1.331(4) . ?
O10 C35 1.148(4) . ?
F37 C74 1.341(5) . ?
O19 C65 1.339(4) . ?
O7 C27 1.150(4) . ?
O16 C56 1.140(4) . ?
F22 C67 1.338(5) . ?
O13 C48 1.145(5) . ?
F16A C64 1.367(8) . ?
O14 C49 1.155(4) . ?
O6 C21 1.148(5) . ?
F23 C67 1.331(5) . ?
O15 C55 1.139(4) . ?
F24 C67 1.334(5) . ?
O21 C73 1.346(4) . ?
O9 C34 1.147(4) . ?
F43 C76 1.326(6) . ?
O5 C20 1.143(4) . ?
O3 C13 1.140(5) . ?
F48A C78A 1.38(3) . ?
O4 C14 1.143(5) . ?
O8 C28 1.139(5) . ?
F52A C80A 1.34(3) . ?
F45 C76 1.317(5) . ?
F39 C74 1.318(5) . ?
O12 C42 1.130(5) . ?
O22 C77 1.332(4) . ?
F18A C64 1.313(6) . ?
F38 C74 1.318(5) . ?
O11 C41 1.157(5) . ?
F44 C76 1.348(5) . ?
O2 C7 1.143(5) . ?
F1A C58A 1.337(6) . ?
F3A C58A 1.325(7) . ?
F47A C78A 1.310(11) . ?
F50A C79A 1.304(14) . ?
C65 C68 1.555(4) . ?
C65 C66 1.558(4) . ?
C65 C67 1.552(5) . ?
F2A C58A 1.306(7) . ?
F51A C79A 1.335(14) . ?
C54 H54 0.9500 . ?
C54 C53 1.416(5) . ?
C54 C50 1.414(5) . ?
C31 H31 0.9500 . ?
C31 C30 1.418(6) . ?
C31 C32 1.421(6) . ?
C53 H53 0.9500 . ?
C53 C52 1.416(6) . ?
F7A C60A 1.321(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.404(6) . ?
C43 C47 1.411(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.403(5) . ?
C46 H46 0.9500 . ?
C46 C45 1.403(6) . ?
C46 C47 1.438(6) . ?
C73 C74 1.558(5) . ?
C73 C76 1.535(5) . ?
C73 C75 1.549(5) . ?
C33 H33 0.9500 . ?
C33 C32 1.398(5) . ?
C33 C29 1.413(6) . ?
C30 H30 0.9500 . ?
C30 C29 1.416(5) . ?
C45 H45 0.9500 . ?
C45 C44 1.421(5) . ?
C64 C61A 1.543(8) . ?
C64 C61B 1.64(3) . ?
C64 F17B 1.25(3) . ?
C64 F18B 1.438(15) . ?
C64 F16B 1.24(2) . ?
C51 H51 0.9500 . ?
C51 C52 1.426(6) . ?
C44 H44 0.9500 . ?
F72B C89A 1.332(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.422(7) . ?
C23 C22 1.414(6) . ?
C32 H32 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.413(6) . ?
C8 C12 1.406(7) . ?
C47 H47 0.9500 . ?
C29 H29 0.9500 . ?
C52 H52 0.9500 . ?
C86 C89A 1.546(9) . ?
C86 C88B 1.550(10) . ?
C86 C87B 1.64(2) . ?
C86 O24A 1.360(7) . ?
C86 C89B 1.572(11) . ?
C86 C88A 1.555(11) . ?
C86 C87A 1.46(3) . ?
C86 O24B 1.319(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.415(6) . ?
F46A C78A 1.347(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.408(7) . ?
C38 C37 1.410(7) . ?
F8A C60A 1.338(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.422(6) . ?
C25 C26 1.417(7) . ?
F53A C80A 1.300(10) . ?
C77 C78A 1.503(8) . ?
C77 C80A 1.643(7) . ?
C77 C79A 1.578(8) . ?
C77 C78B 1.555(9) . ?
C77 C80B 1.486(10) . ?
C77 C79B 1.574(9) . ?
C24 H24 0.9500 . ?
C22 H22 0.9500 . ?
C22 C26 1.437(7) . ?
C40 H40 0.9500 . ?
C40 C39 1.413(6) . ?
C40 C36 1.419(7) . ?
C39 H39 0.9500 . ?
C26 H26 0.9500 . ?
F49A C79A 1.311(8) . ?
C57A C58A 1.556(7) . ?
C57A C60A 1.587(9) . ?
C57A O17 1.321(5) . ?
C57A C59A 1.548(8) . ?
C37 H37 0.9500 . ?
C37 C36 1.416(6) . ?
C36 H36 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.429(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.412(6) . ?
C12 H12 0.9500 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
F70B C89A 1.281(10) . ?
O1A C6A 1.129(8) . ?
F71B C89A 1.362(10) . ?
C60A F9A 1.321(7) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C80A F54 1.322(7) . ?
O1B C6B 1.150(13) . ?
Cl6 C92 1.766(8) . ?
Cl5 C92 1.772(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
P7 As8 2.52(3) . ?
P6 As5 2.23(2) . ?
F69B C88B 1.281(10) . ?
F67 C88B 1.355(11) . ?
F67 C88A 1.373(10) . ?
F68B C88B 1.315(9) . ?
C87B F64B 1.35(2) . ?
C87B F66 1.32(3) . ?
C87B F65B 1.24(3) . ?
F66 C87A 1.30(3) . ?
C82 C84A 1.573(17) . ?
C82 C85A 1.577(19) . ?
C82 C83 1.554(5) . ?
C82 O23A 1.380(7) . ?
C82 C84B 1.52(2) . ?
C82 C85B 1.548(12) . ?
C82 O23B 1.311(6) . ?
C84A F58A 1.34(2) . ?
C84A F60A 1.35(3) . ?
C84A F59A 1.341(18) . ?
C85A F63A 1.348(18) . ?
C85A F62A 1.34(2) . ?
C85A F61A 1.325(12) . ?
C83 F57 1.325(5) . ?
C83 F56 1.316(5) . ?
C83 F55 1.320(5) . ?
C61A C62A 1.543(7) . ?
C61A C63A 1.574(8) . ?
C3B H3B 0.9500 . ?
C3B C2B 1.437(17) . ?
C3B C4B 1.438(13) . ?
C2B H2B 0.9500 . ?
C2B C1B 1.416(14) . ?
C1B H1B 0.9500 . ?
C1B C5B 1.415(12) . ?
C5B H5B 0.9500 . ?
C5B C4B 1.425(12) . ?
C4B H4B 0.9500 . ?
C3A H3A 0.9500 . ?
C3A C4A 1.417(11) . ?
C3A C2A 1.408(12) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.414(12) . ?
C5A H5A 0.9500 . ?
C5A C1A 1.421(13) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.391(13) . ?
C2A H2A 0.9500 . ?
C19 H19 0.9500 . ?
C19 C15 1.408(6) . ?
C19 C18 1.406(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.423(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.409(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.413(7) . ?
C18 H18 0.9500 . ?
C75 F42 1.321(5) . ?
C75 F40 1.330(5) . ?
C75 F41 1.326(5) . ?
C62A F12A 1.342(6) . ?
C62A F10A 1.344(6) . ?
C62A F11A 1.325(8) . ?
C63A F14A 1.329(7) . ?
C63A F15A 1.310(8) . ?
C63A F13A 1.354(6) . ?
C61B C62B 1.560(15) . ?
C61B C63B 1.545(14) . ?
C62B F11B 1.38(3) . ?
C62B F12B 1.34(3) . ?
C62B F10B 1.28(3) . ?
C63B F15B 1.319(17) . ?
C63B F13B 1.320(15) . ?
C63B F14B 1.326(14) . ?
O17 C57B 1.301(13) . ?
C58B F2B 1.22(2) . ?
C58B F3B 1.34(2) . ?
C58B F1B 1.331(18) . ?
C58B C57B 1.564(14) . ?
C89B F1 1.290(10) . ?
C89B F2 1.322(10) . ?
C89B F3 1.325(9) . ?
C88A F69A 1.317(11) . ?
C88A F68A 1.341(10) . ?
C87A F64A 1.44(2) . ?
C87A F65A 1.39(3) . ?
C78B F46B 1.340(11) . ?
C78B F47B 1.321(12) . ?
C78B F48B 1.338(10) . ?
F53B C80B 1.32(3) . ?
C80B F52B 1.341(14) . ?
C80B F54 1.365(9) . ?
F50B C79B 1.31(4) . ?
C79B F49B 1.331(9) . ?
C79B F51B 1.299(16) . ?
C84B F58B 1.32(2) . ?
C84B F60B 1.33(3) . ?
C84B F59B 1.326(19) . ?
C85B F61B 1.322(13) . ?
C85B F62B 1.28(2) . ?
C85B F63B 1.349(14) . ?
F5B C59B 1.27(3) . ?
C59B F4B 1.26(2) . ?
C59B F6 1.18(3) . ?
C59B C57B 1.557(14) . ?
C59A F4A 1.366(9) . ?
C59A F6 1.294(10) . ?
C59A F5A 1.315(7) . ?
C60B F7B 1.336(9) . ?
C60B F9B 1.350(9) . ?
C60B C57B 1.539(14) . ?
C60B F8B 1.347(10) . ?
O20A C69A 1.28(5) . ?
C69A C70A 1.574(17) . ?
C69A C72A 1.569(16) . ?
C69A C71A 1.563(17) . ?
C70A F30A 1.314(10) . ?
C70A F28A 1.324(13) . ?
C70A F29A 1.332(13) . ?
C72A F35A 1.339(14) . ?
C72A F36A 1.339(13) . ?
C72A F34A 1.325(10) . ?
C71A F33A 1.332(11) . ?
C71A F31A 1.349(12) . ?
C71A F32A 1.333(13) . ?
O20B C69B 1.35(4) . ?
C69B C70B 1.564(18) . ?
C69B C72B 1.570(17) . ?
C69B C71B 1.567(18) . ?
C70B F30B 1.323(13) . ?
C70B F28B 1.325(13) . ?
C70B F29B 1.328(14) . ?
C72B F34B 1.317(13) . ?
C72B F35B 1.327(12) . ?
C72B F36B 1.340(12) . ?
C71B F32B 1.319(14) . ?
C71B F33B 1.323(13) . ?
C71B F31B 1.324(13) . ?
O1 C69C 1.43(5) . ?
C69C C71C 1.56(2) . ?
C69C C70C 1.547(18) . ?
C69C C72C 1.550(19) . ?
C71C F33C 1.339(15) . ?
C71C F31C 1.345(11) . ?
C71C F32C 1.323(11) . ?
C70C F28C 1.330(12) . ?
C70C F29C 1.332(13) . ?
C70C F30C 1.345(11) . ?
C72C F36C 1.334(13) . ?
C72C F34C 1.333(14) . ?
C72C F35C 1.343(14) . ?

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
P8 Ag2 As7 50.5(3) . . ?
P2 Ag2 As7 106.60(8) . . ?
P2 Ag2 P8 135.1(3) . . ?
P2 Ag2 P7 107.5(3) . . ?
P2 Ag2 As8 139.3(4) . . ?
P3 Ag2 As7 137.69(8) . . ?
P3 Ag2 P8 113.5(3) . . ?
P3 Ag2 P2 107.46(3) . . ?
P3 Ag2 P7 133.9(3) . . ?
P3 Ag2 As8 109.1(4) . . ?
As8 Ag2 P7 55.9(6) . . ?
P5 Ag1 As6 52.9(3) . . ?
P4 Ag1 As6 98.76(14) . . ?
P4 Ag1 P5 130.7(3) . . ?
P4 Ag1 P6 102.7(4) . . ?
P4 Ag1 As5 128.6(2) . . ?
P1 Ag1 As6 133.63(12) . . ?
P1 Ag1 P5 113.9(3) . . ?
P1 Ag1 P4 114.11(3) . . ?
P1 Ag1 P6 130.8(4) . . ?
P1 Ag1 As5 115.9(2) . . ?
As5 Ag1 P6 49.2(4) . . ?
As6 Mo5 Mo6 51.98(10) . . ?
P5 Mo5 Mo6 55.8(3) . . ?
P5 Mo5 As6 56.1(3) . . ?
C35 Mo5 Mo6 89.13(10) . . ?
C35 Mo5 As6 70.36(14) . . ?
C35 Mo5 P5 126.3(3) . . ?
C35 Mo5 C31 111.91(14) . . ?
C35 Mo5 C33 129.24(14) . . ?
C35 Mo5 C30 85.35(14) . . ?
C35 Mo5 C32 143.86(14) . . ?
C35 Mo5 C29 94.34(14) . . ?
C35 Mo5 P6 71.6(4) . . ?
C35 Mo5 As5 124.1(3) . . ?
C34 Mo5 Mo6 127.45(10) . . ?
C34 Mo5 As6 77.95(15) . . ?
C34 Mo5 P5 85.3(3) . . ?
C34 Mo5 C35 87.86(14) . . ?
C34 Mo5 C31 143.52(14) . . ?
C34 Mo5 C33 85.29(14) . . ?
C34 Mo5 C30 124.59(14) . . ?
C34 Mo5 C32 113.87(14) . . ?
C34 Mo5 C29 90.63(14) . . ?
C34 Mo5 P6 76.5(4) . . ?
C34 Mo5 As5 85.9(2) . . ?
C31 Mo5 Mo6 84.78(9) . . ?
C31 Mo5 As6 136.70(14) . . ?
C31 Mo5 P5 104.5(3) . . ?
C31 Mo5 P6 137.8(4) . . ?
C31 Mo5 As5 105.2(2) . . ?
C33 Mo5 Mo6 133.04(10) . . ?
C33 Mo5 As6 153.97(16) . . ?
C33 Mo5 P5 103.2(3) . . ?
C33 Mo5 C31 58.35(14) . . ?
C33 Mo5 C30 59.00(14) . . ?
C33 Mo5 C32 34.87(13) . . ?
C33 Mo5 P6 152.2(4) . . ?
C33 Mo5 As5 105.4(3) . . ?
C30 Mo5 Mo6 107.38(10) . . ?
C30 Mo5 As6 146.86(15) . . ?
C30 Mo5 P5 139.5(3) . . ?
C30 Mo5 C31 35.13(14) . . ?
C30 Mo5 C32 58.63(14) . . ?
C30 Mo5 P6 148.7(4) . . ?
C30 Mo5 As5 140.4(2) . . ?
C32 Mo5 Mo6 98.34(10) . . ?
C32 Mo5 As6 139.85(14) . . ?
C32 Mo5 P5 85.7(3) . . ?
C32 Mo5 C31 35.04(14) . . ?
C32 Mo5 P6 139.3(4) . . ?
C32 Mo5 As5 87.5(3) . . ?
C29 Mo5 Mo6 141.89(10) . . ?
C29 Mo5 As6 161.00(14) . . ?
C29 Mo5 P5 138.9(3) . . ?
C29 Mo5 C31 58.76(14) . . ?
C29 Mo5 C33 35.70(14) . . ?
C29 Mo5 C30 35.61(14) . . ?
C29 Mo5 C32 58.79(14) . . ?
C29 Mo5 P6 161.0(4) . . ?
C29 Mo5 As5 141.1(3) . . ?
P6 Mo5 Mo6 53.1(3) . . ?
P6 Mo5 As5 53.0(4) . . ?
As5 Mo5 Mo6 54.0(2) . . ?
As7 Mo8 Mo7 52.02(7) . . ?
P8 Mo8 Mo7 53.1(3) . . ?
P8 Mo8 As7 52.8(3) . . ?
C56 Mo8 Mo7 129.07(9) . . ?
C56 Mo8 As7 78.46(12) . . ?
C56 Mo8 P8 89.8(4) . . ?
C56 Mo8 C55 88.98(15) . . ?
C56 Mo8 C54 113.64(13) . . ?
C56 Mo8 C53 83.78(14) . . ?
C56 Mo8 C50 142.16(13) . . ?
C56 Mo8 C51 122.79(14) . . ?
C56 Mo8 C52 88.42(14) . . ?
C56 Mo8 P7 73.8(3) . . ?
C56 Mo8 As8 87.9(5) . . ?
C55 Mo8 Mo7 87.24(11) . . ?
C55 Mo8 As7 72.86(13) . . ?
C55 Mo8 P8 124.6(3) . . ?
C55 Mo8 C54 143.41(13) . . ?
C55 Mo8 C53 130.49(15) . . ?
C55 Mo8 C50 110.97(13) . . ?
C55 Mo8 C51 85.34(14) . . ?
C55 Mo8 C52 95.22(15) . . ?
C55 Mo8 P7 70.7(4) . . ?
C55 Mo8 As8 129.0(4) . . ?
C54 Mo8 Mo7 98.38(9) . . ?
C54 Mo8 As7 137.42(12) . . ?
C54 Mo8 P8 85.5(4) . . ?
C54 Mo8 C50 34.84(12) . . ?
C54 Mo8 P7 141.3(4) . . ?
C54 Mo8 As8 82.3(5) . . ?
C53 Mo8 Mo7 133.50(10) . . ?
C53 Mo8 As7 150.53(14) . . ?
C53 Mo8 P8 104.3(3) . . ?
C53 Mo8 C54 35.35(13) . . ?
C53 Mo8 C50 58.66(13) . . ?
C53 Mo8 C51 59.35(15) . . ?
C53 Mo8 P7 149.3(4) . . ?
C53 Mo8 As8 99.7(4) . . ?
C50 Mo8 Mo7 85.18(9) . . ?
C50 Mo8 As7 137.18(12) . . ?
C50 Mo8 P8 103.0(4) . . ?
C50 Mo8 P7 142.3(3) . . ?
C50 Mo8 As8 101.9(5) . . ?
C51 Mo8 Mo7 107.47(10) . . ?
C51 Mo8 As7 149.74(13) . . ?
C51 Mo8 P8 137.8(4) . . ?
C51 Mo8 C54 58.40(14) . . ?
C51 Mo8 C50 34.81(13) . . ?
C51 Mo8 P7 151.3(4) . . ?
C51 Mo8 As8 136.5(5) . . ?
C52 Mo8 Mo7 142.50(11) . . ?
C52 Mo8 As7 162.25(13) . . ?
C52 Mo8 P8 140.1(3) . . ?
C52 Mo8 C54 59.11(14) . . ?
C52 Mo8 C53 35.89(16) . . ?
C52 Mo8 C50 58.97(13) . . ?
C52 Mo8 C51 36.04(15) . . ?
C52 Mo8 P7 157.2(4) . . ?
C52 Mo8 As8 135.6(4) . . ?
P7 Mo8 Mo7 57.1(3) . . ?
As8 Mo8 Mo7 57.3(4) . . ?
As8 Mo8 P7 59.5(6) . . ?
As7 Mo7 Mo8 55.20(8) . . ?
As7 Mo7 P8 53.7(4) . . ?
P8 Mo7 Mo8 52.1(3) . . ?
C49 Mo7 Mo8 127.03(10) . . ?
C49 Mo7 As7 83.97(13) . . ?
C49 Mo7 P8 77.5(3) . . ?
C49 Mo7 C48 89.70(15) . . ?
C49 Mo7 C43 83.53(16) . . ?
C49 Mo7 C46 125.43(14) . . ?
C49 Mo7 C45 142.20(14) . . ?
C49 Mo7 C44 111.85(15) . . ?
C49 Mo7 C47 90.33(15) . . ?
C49 Mo7 P7 86.1(4) . . ?
C49 Mo7 As8 79.8(4) . . ?
C48 Mo7 Mo8 89.09(10) . . ?
C48 Mo7 As7 125.37(13) . . ?
C48 Mo7 P8 71.9(4) . . ?
C48 Mo7 C43 127.77(15) . . ?
C48 Mo7 C46 84.83(14) . . ?
C48 Mo7 C45 111.70(14) . . ?
C48 Mo7 C44 143.15(14) . . ?
C48 Mo7 C47 92.93(14) . . ?
C48 Mo7 P7 125.5(3) . . ?
C48 Mo7 As8 70.3(5) . . ?
C43 Mo7 Mo8 134.72(12) . . ?
C43 Mo7 As7 105.35(14) . . ?
C43 Mo7 P8 152.8(3) . . ?
C43 Mo7 C46 59.31(14) . . ?
C43 Mo7 C45 58.69(15) . . ?
C43 Mo7 C44 35.13(15) . . ?
C43 Mo7 P7 105.6(3) . . ?
C43 Mo7 As8 155.4(4) . . ?
C46 Mo7 Mo8 107.16(10) . . ?
C46 Mo7 As7 140.28(14) . . ?
C46 Mo7 P8 147.8(3) . . ?
C46 Mo7 C45 34.69(14) . . ?
C46 Mo7 C44 58.35(14) . . ?
C46 Mo7 P7 138.6(4) . . ?
C46 Mo7 As8 145.1(4) . . ?
C45 Mo7 Mo8 85.63(10) . . ?
C45 Mo7 As7 105.60(13) . . ?
C45 Mo7 P8 137.7(3) . . ?
C45 Mo7 P7 103.9(4) . . ?
C45 Mo7 As8 135.9(4) . . ?
C44 Mo7 Mo8 99.74(11) . . ?
C44 Mo7 As7 87.67(13) . . ?
C44 Mo7 P8 140.0(4) . . ?
C44 Mo7 C45 35.03(13) . . ?
C44 Mo7 P7 86.9(3) . . ?
C44 Mo7 As8 140.6(5) . . ?
C47 Mo7 Mo8 142.61(11) . . ?
C47 Mo7 As7 141.09(13) . . ?
C47 Mo7 P8 160.4(4) . . ?
C47 Mo7 C43 35.76(14) . . ?
C47 Mo7 C46 36.20(14) . . ?
C47 Mo7 C45 59.03(15) . . ?
C47 Mo7 C44 58.94(15) . . ?
C47 Mo7 P7 141.3(3) . . ?
C47 Mo7 As8 160.4(5) . . ?
P7 Mo7 Mo8 53.5(3) . . ?
As8 Mo7 Mo8 50.4(4) . . ?
As8 Mo7 P7 55.5(6) . . ?
P4 Mo4 Mo3 54.21(2) . . ?
P4 Mo4 P3 49.98(3) . . ?
P3 Mo4 Mo3 51.18(2) . . ?
C27 Mo4 Mo3 87.53(10) . . ?
C27 Mo4 P4 121.69(10) . . ?
C27 Mo4 P3 71.97(10) . . ?
C27 Mo4 C23 85.13(14) . . ?
C27 Mo4 C25 129.32(15) . . ?
C27 Mo4 C24 94.17(14) . . ?
C27 Mo4 C22 110.77(15) . . ?
C27 Mo4 C26 143.00(15) . . ?
C28 Mo4 Mo3 131.34(12) . . ?
C28 Mo4 P4 87.95(12) . . ?
C28 Mo4 P3 81.81(12) . . ?
C28 Mo4 C27 89.12(15) . . ?
C28 Mo4 C23 121.70(17) . . ?
C28 Mo4 C25 82.56(18) . . ?
C28 Mo4 C24 87.55(18) . . ?
C28 Mo4 C22 141.00(16) . . ?
C28 Mo4 C26 112.40(17) . . ?
C23 Mo4 Mo3 106.34(12) . . ?
C23 Mo4 P4 141.85(11) . . ?
C23 Mo4 P3 147.35(11) . . ?
C23 Mo4 C22 34.62(15) . . ?
C23 Mo4 C26 58.09(15) . . ?
C25 Mo4 Mo3 133.58(13) . . ?
C25 Mo4 P4 107.93(12) . . ?
C25 Mo4 P3 153.25(13) . . ?
C25 Mo4 C23 58.90(17) . . ?
C25 Mo4 C24 35.85(16) . . ?
C25 Mo4 C22 58.73(17) . . ?
C25 Mo4 C26 35.26(17) . . ?
C24 Mo4 Mo3 141.11(13) . . ?
C24 Mo4 P4 143.76(11) . . ?
C24 Mo4 P3 162.55(12) . . ?
C24 Mo4 C23 35.57(17) . . ?
C24 Mo4 C22 58.80(17) . . ?
C24 Mo4 C26 58.95(16) . . ?
C22 Mo4 Mo3 84.28(11) . . ?
C22 Mo4 P4 107.23(10) . . ?
C22 Mo4 P3 135.46(11) . . ?
C26 Mo4 Mo3 98.43(12) . . ?
C26 Mo4 P4 90.04(11) . . ?
C26 Mo4 P3 138.19(11) . . ?
C26 Mo4 C22 35.03(16) . . ?
P1 Mo1 Mo2 51.74(2) . . ?
P2 Mo1 Mo2 53.36(2) . . ?
P2 Mo1 P1 49.96(3) . . ?
C7 Mo1 Mo2 86.30(10) . . ?
C7 Mo1 P1 74.00(12) . . ?
C7 Mo1 P2 123.00(11) . . ?
C7 Mo1 C3B 139.3(2) . . ?
C7 Mo1 C2B 138.0(3) . . ?
C7 Mo1 C1B 102.6(3) . . ?
C7 Mo1 C5B 85.1(2) . . ?
C7 Mo1 C4B 104.9(3) . . ?
C7 Mo1 C3A 79.1(2) . . ?
C7 Mo1 C4A 105.5(3) . . ?
C7 Mo1 C5A 137.1(2) . . ?
C7 Mo1 C1A 123.8(3) . . ?
C7 Mo1 C2A 88.9(2) . . ?
C6A Mo1 Mo2 133.86(19) . . ?
C6A Mo1 P1 83.26(19) . . ?
C6A Mo1 P2 92.00(18) . . ?
C6A Mo1 C7 90.8(2) . . ?
C6A Mo1 C3A 120.6(3) . . ?
C6A Mo1 C4A 140.4(3) . . ?
C6A Mo1 C5A 113.1(3) . . ?
C6A Mo1 C1A 82.8(3) . . ?
C6A Mo1 C2A 87.1(3) . . ?
C6B Mo1 Mo2 70.9(3) . . ?
C6B Mo1 P1 122.2(3) . . ?
C6B Mo1 P2 103.2(3) . . ?
C6B Mo1 C7 97.6(3) . . ?
C6B Mo1 C3B 114.4(4) . . ?
C6B Mo1 C2B 83.5(5) . . ?
C6B Mo1 C1B 85.4(4) . . ?
C6B Mo1 C5B 118.8(4) . . ?
C6B Mo1 C4B 140.8(4) . . ?
C3B Mo1 Mo2 126.58(19) . . ?
C3B Mo1 P1 105.9(2) . . ?
C3B Mo1 P2 74.9(2) . . ?
C2B Mo1 Mo2 132.1(2) . . ?
C2B Mo1 P1 139.6(3) . . ?
C2B Mo1 P2 97.0(3) . . ?
C2B Mo1 C3B 34.9(4) . . ?
C2B Mo1 C4B 58.4(4) . . ?
C1B Mo1 Mo2 155.7(2) . . ?
C1B Mo1 P1 152.3(2) . . ?
C1B Mo1 P2 131.2(3) . . ?
C1B Mo1 C3B 58.3(4) . . ?
C1B Mo1 C2B 35.4(4) . . ?
C1B Mo1 C5B 35.8(3) . . ?
C1B Mo1 C4B 58.8(3) . . ?
C5B Mo1 Mo2 167.80(19) . . ?
C5B Mo1 P1 117.26(19) . . ?
C5B Mo1 P2 126.0(2) . . ?
C5B Mo1 C3B 58.1(3) . . ?
C5B Mo1 C2B 59.0(3) . . ?
C5B Mo1 C4B 35.1(3) . . ?
C4B Mo1 Mo2 141.1(2) . . ?
C4B Mo1 P1 94.9(2) . . ?
C4B Mo1 P2 90.9(2) . . ?
C4B Mo1 C3B 34.6(3) . . ?
C3A Mo1 Mo2 104.0(2) . . ?
C3A Mo1 P1 144.28(19) . . ?
C3A Mo1 P2 141.80(19) . . ?
C3A Mo1 C4A 34.5(3) . . ?
C4A Mo1 Mo2 83.9(2) . . ?
C4A Mo1 P1 135.6(2) . . ?
C4A Mo1 P2 107.5(2) . . ?
C5A Mo1 Mo2 99.4(2) . . ?
C5A Mo1 P1 140.78(18) . . ?
C5A Mo1 P2 92.53(17) . . ?
C5A Mo1 C3A 58.1(2) . . ?
C5A Mo1 C4A 34.6(3) . . ?
C1A Mo1 Mo2 135.1(3) . . ?
C1A Mo1 P1 157.4(3) . . ?
C1A Mo1 P2 113.0(3) . . ?
C1A Mo1 C3A 58.1(3) . . ?
C1A Mo1 C4A 58.0(4) . . ?
C1A Mo1 C5A 35.7(3) . . ?
C1A Mo1 C2A 35.2(3) . . ?
C2A Mo1 Mo2 138.7(2) . . ?
C2A Mo1 P1 160.2(2) . . ?
C2A Mo1 P2 148.1(2) . . ?
C2A Mo1 C3A 35.1(3) . . ?
C2A Mo1 C4A 58.1(3) . . ?
C2A Mo1 C5A 59.0(3) . . ?
P1 Mo2 Mo1 53.26(2) . . ?
P1 Mo2 P2 49.69(3) . . ?
P2 Mo2 Mo1 51.03(2) . . ?
C14 Mo2 Mo1 86.87(11) . . ?
C14 Mo2 P1 121.32(11) . . ?
C14 Mo2 P2 72.11(11) . . ?
C14 Mo2 C8 146.38(16) . . ?
C14 Mo2 C9 127.83(16) . . ?
C14 Mo2 C10 93.59(16) . . ?
C14 Mo2 C11 87.67(16) . . ?
C14 Mo2 C12 115.93(16) . . ?
C13 Mo2 Mo1 128.23(11) . . ?
C13 Mo2 P1 86.56(11) . . ?
C13 Mo2 P2 78.84(11) . . ?
C13 Mo2 C14 89.42(16) . . ?
C13 Mo2 C8 108.46(16) . . ?
C13 Mo2 C9 81.08(16) . . ?
C13 Mo2 C10 89.75(15) . . ?
C13 Mo2 C11 125.27(15) . . ?
C13 Mo2 C12 139.19(16) . . ?
C8 Mo2 Mo1 102.41(11) . . ?
C8 Mo2 P1 88.81(11) . . ?
C8 Mo2 P2 138.03(11) . . ?
C8 Mo2 C12 34.65(16) . . ?
C9 Mo2 Mo1 137.64(11) . . ?
C9 Mo2 P1 109.23(12) . . ?
C9 Mo2 P2 151.48(12) . . ?
C9 Mo2 C8 35.24(15) . . ?
C9 Mo2 C11 59.19(16) . . ?
C9 Mo2 C12 58.15(15) . . ?
C10 Mo2 Mo1 142.01(11) . . ?
C10 Mo2 P1 144.81(12) . . ?
C10 Mo2 P2 161.59(11) . . ?
C10 Mo2 C8 59.35(15) . . ?
C10 Mo2 C9 35.82(16) . . ?
C10 Mo2 C11 36.09(15) . . ?
C10 Mo2 C12 58.98(15) . . ?
C11 Mo2 Mo1 106.15(10) . . ?
C11 Mo2 P1 138.87(11) . . ?
C11 Mo2 P2 149.05(11) . . ?
C11 Mo2 C8 58.72(16) . . ?
C11 Mo2 C12 35.05(15) . . ?
C12 Mo2 Mo1 86.77(10) . . ?
C12 Mo2 P1 103.98(11) . . ?
C12 Mo2 P2 137.47(10) . . ?
As6 Mo6 Mo5 56.30(14) . . ?
As6 Mo6 P5 56.1(3) . . ?
P5 Mo6 Mo5 51.3(3) . . ?
C42 Mo6 Mo5 89.60(11) . . ?
C42 Mo6 As6 126.90(18) . . ?
C42 Mo6 P5 70.9(3) . . ?
C42 Mo6 C38 110.96(17) . . ?
C42 Mo6 C40 130.74(17) . . ?
C42 Mo6 C39 143.52(17) . . ?
C42 Mo6 C37 85.38(17) . . ?
C42 Mo6 C36 95.32(17) . . ?
C42 Mo6 P6 123.5(4) . . ?
C42 Mo6 As5 71.9(2) . . ?
C41 Mo6 Mo5 129.59(12) . . ?
C41 Mo6 As6 86.27(16) . . ?
C41 Mo6 P5 80.8(4) . . ?
C41 Mo6 C42 88.21(17) . . ?
C41 Mo6 C38 142.18(17) . . ?
C41 Mo6 C40 83.84(18) . . ?
C41 Mo6 C39 114.20(18) . . ?
C41 Mo6 C37 121.94(16) . . ?
C41 Mo6 C36 88.09(17) . . ?
C41 Mo6 P6 88.7(4) . . ?
C41 Mo6 As5 79.1(3) . . ?
C38 Mo6 Mo5 84.38(10) . . ?
C38 Mo6 As6 105.07(16) . . ?
C38 Mo6 P5 135.6(3) . . ?
C38 Mo6 P6 105.2(4) . . ?
C38 Mo6 As5 137.1(3) . . ?
C40 Mo6 Mo5 131.39(13) . . ?
C40 Mo6 As6 101.03(19) . . ?
C40 Mo6 P5 153.0(3) . . ?
C40 Mo6 C38 58.78(16) . . ?
C40 Mo6 C39 35.52(16) . . ?
C40 Mo6 C37 59.40(17) . . ?
C40 Mo6 P6 104.9(5) . . ?
C40 Mo6 As5 151.3(3) . . ?
C39 Mo6 Mo5 96.26(11) . . ?
C39 Mo6 As6 84.83(17) . . ?
C39 Mo6 P5 138.0(3) . . ?
C39 Mo6 C38 34.84(16) . . ?
C39 Mo6 P6 87.1(4) . . ?
C39 Mo6 As5 137.9(2) . . ?
C37 Mo6 Mo5 108.03(11) . . ?
C37 Mo6 As6 139.76(17) . . ?
C37 Mo6 P5 147.1(3) . . ?
C37 Mo6 C38 34.96(17) . . ?
C37 Mo6 C39 58.54(17) . . ?
C37 Mo6 P6 140.2(4) . . ?
C37 Mo6 As5 149.0(3) . . ?
C36 Mo6 Mo5 142.20(12) . . ?
C36 Mo6 As6 137.11(19) . . ?
C36 Mo6 P5 162.4(3) . . ?
C36 Mo6 C38 58.86(16) . . ?
C36 Mo6 C40 36.07(17) . . ?
C36 Mo6 C39 59.25(17) . . ?
C36 Mo6 C37 35.70(16) . . ?
C36 Mo6 P6 140.9(5) . . ?
C36 Mo6 As5 161.9(3) . . ?
P6 Mo6 Mo5 52.3(4) . . ?
P6 Mo6 As5 52.2(5) . . ?
As5 Mo6 Mo5 52.7(3) . . ?
P4 Mo3 Mo4 51.61(2) . . ?
P3 Mo3 Mo4 53.39(2) . . ?
P3 Mo3 P4 49.79(3) . . ?
C21 Mo3 Mo4 130.03(11) . . ?
C21 Mo3 P4 79.98(11) . . ?
C21 Mo3 P3 87.93(11) . . ?
C21 Mo3 C20 89.31(15) . . ?
C21 Mo3 C19 109.61(15) . . ?
C21 Mo3 C15 139.92(15) . . ?
C21 Mo3 C16 124.38(16) . . ?
C21 Mo3 C17 89.60(16) . . ?
C21 Mo3 C18 81.89(15) . . ?
C20 Mo3 Mo4 88.15(11) . . ?
C20 Mo3 P4 73.59(11) . . ?
C20 Mo3 P3 122.88(11) . . ?
C20 Mo3 C19 144.79(15) . . ?
C20 Mo3 C15 114.24(15) . . ?
C20 Mo3 C16 86.16(15) . . ?
C20 Mo3 C17 92.82(16) . . ?
C20 Mo3 C18 127.30(17) . . ?
C19 Mo3 Mo4 100.39(11) . . ?
C19 Mo3 P4 137.35(11) . . ?
C19 Mo3 P3 88.25(11) . . ?
C19 Mo3 C15 34.65(15) . . ?
C15 Mo3 Mo4 84.76(10) . . ?
C15 Mo3 P4 136.13(10) . . ?
C15 Mo3 P3 103.40(10) . . ?
C16 Mo3 Mo4 105.21(12) . . ?
C16 Mo3 P4 148.60(13) . . ?
C16 Mo3 P3 138.59(11) . . ?
C16 Mo3 C19 58.63(16) . . ?
C16 Mo3 C15 35.29(15) . . ?
C17 Mo3 Mo4 140.37(12) . . ?
C17 Mo3 P4 162.82(11) . . ?
C17 Mo3 P3 144.15(13) . . ?
C17 Mo3 C19 59.14(16) . . ?
C17 Mo3 C15 58.86(15) . . ?
C17 Mo3 C16 35.57(17) . . ?
C17 Mo3 C18 35.75(17) . . ?
C18 Mo3 Mo4 135.45(11) . . ?
C18 Mo3 P4 152.08(13) . . ?
C18 Mo3 P3 108.67(13) . . ?
C18 Mo3 C19 35.06(15) . . ?
C18 Mo3 C15 58.04(15) . . ?
C18 Mo3 C16 58.81(18) . . ?
Mo8 As7 Ag2 110.13(13) . . ?
Mo7 As7 Ag2 109.84(13) . . ?
Mo7 As7 Mo8 72.78(9) . . ?
P8 As7 Ag2 60.8(4) . . ?
P8 As7 Mo8 60.7(4) . . ?
P8 As7 Mo7 63.3(4) . . ?
Mo5 As6 Ag1 109.4(2) . . ?
Mo6 As6 Ag1 113.34(17) . . ?
Mo6 As6 Mo5 71.72(15) . . ?
P5 As6 Ag1 63.1(3) . . ?
P5 As6 Mo5 58.2(4) . . ?
P5 As6 Mo6 64.3(3) . . ?
Mo5 P5 Ag1 115.9(5) . . ?
Mo5 P5 Mo6 72.9(3) . . ?
Mo6 P5 Ag1 110.6(5) . . ?
As6 P5 Ag1 64.0(4) . . ?
As6 P5 Mo5 65.8(3) . . ?
As6 P5 Mo6 59.7(3) . . ?
Mo8 P8 Ag2 120.6(6) . . ?
Mo8 P8 Mo7 74.9(4) . . ?
Mo7 P8 Ag2 115.4(5) . . ?
As7 P8 Ag2 68.7(4) . . ?
As7 P8 Mo8 66.5(4) . . ?
As7 P8 Mo7 63.0(3) . . ?
Ag1 P4 Mo3 122.32(3) . . ?
Mo4 P4 Ag1 162.98(4) . . ?
Mo4 P4 Mo3 74.18(2) . . ?
P3 P4 Ag1 115.83(4) . . ?
P3 P4 Mo4 66.11(3) . . ?
P3 P4 Mo3 62.24(3) . . ?
Ag1 P1 Mo1 143.28(4) . . ?
Mo2 P1 Ag1 141.68(4) . . ?
Mo2 P1 Mo1 75.00(3) . . ?
P2 P1 Ag1 121.44(4) . . ?
P2 P1 Mo1 62.99(3) . . ?
P2 P1 Mo2 66.33(3) . . ?
Ag2 P2 Mo2 121.63(4) . . ?
Mo1 P2 Ag2 161.85(4) . . ?
Mo1 P2 Mo2 75.61(3) . . ?
P1 P2 Ag2 123.63(5) . . ?
P1 P2 Mo1 67.05(3) . . ?
P1 P2 Mo2 63.98(3) . . ?
Ag2 P3 Mo4 142.16(4) . . ?
Mo3 P3 Ag2 140.84(4) . . ?
Mo3 P3 Mo4 75.43(3) . . ?
P4 P3 Ag2 129.41(5) . . ?
P4 P3 Mo4 63.91(3) . . ?
P4 P3 Mo3 67.96(3) . . ?
O18 Al1 O20A 108.3(7) . . ?
O18 Al1 O20B 115.0(5) . . ?
O19 Al1 O18 107.07(12) . . ?
O19 Al1 O20A 108.1(6) . . ?
O19 Al1 O20B 119.3(6) . . ?
O17 Al1 O18 113.15(14) . . ?
O17 Al1 O19 108.87(13) . . ?
O17 Al1 O20A 111.2(9) . . ?
O17 Al1 O20B 92.9(4) . . ?
O1 Al1 O18 100.9(8) . . ?
O1 Al1 O19 116.9(7) . . ?
O1 Al1 O17 109.9(10) . . ?
O21 Al2 O24A 106.4(3) . . ?
O22 Al2 O21 109.02(14) . . ?
O22 Al2 O24A 103.0(2) . . ?
O22 Al2 O24B 116.6(3) . . ?
O22 Al2 O23B 114.9(2) . . ?
O23A Al2 O21 107.1(3) . . ?
O23A Al2 O22 101.2(2) . . ?
O23A Al2 O24A 129.0(3) . . ?
O24B Al2 O23B 89.0(3) . . ?
C61A O18 Al1 145.1(3) . . ?
C61B O18 Al1 157.4(10) . . ?
C65 O19 Al1 149.8(2) . . ?
C73 O21 Al2 151.4(2) . . ?
C77 O22 Al2 147.8(3) . . ?
O7 C27 Mo4 178.9(3) . . ?
O16 C56 Mo8 177.1(3) . . ?
O10 C35 Mo5 177.2(3) . . ?
O14 C49 Mo7 177.6(4) . . ?
O9 C34 Mo5 178.4(4) . . ?
O12 C42 Mo6 177.0(4) . . ?
O13 C48 Mo7 176.8(3) . . ?
O19 C65 C68 108.4(3) . . ?
O19 C65 C66 111.6(3) . . ?
O19 C65 C67 110.8(3) . . ?
C68 C65 C66 108.7(3) . . ?
C67 C65 C68 108.9(3) . . ?
C67 C65 C66 108.3(3) . . ?
O15 C55 Mo8 177.1(3) . . ?
O6 C21 Mo3 176.3(3) . . ?
O4 C14 Mo2 178.9(4) . . ?
F26 C68 F27 106.4(3) . . ?
F26 C68 F25 107.2(3) . . ?
F26 C68 C65 111.1(3) . . ?
F27 C68 C65 110.7(3) . . ?
F25 C68 F27 108.1(3) . . ?
F25 C68 C65 113.0(3) . . ?
Mo8 C54 H54 122.1 . . ?
C53 C54 Mo8 70.49(19) . . ?
C53 C54 H54 125.9 . . ?
C50 C54 Mo8 73.14(19) . . ?
C50 C54 H54 125.9 . . ?
C50 C54 C53 108.1(3) . . ?
Mo5 C31 H31 122.5 . . ?
C30 C31 Mo5 71.16(19) . . ?
C30 C31 H31 126.1 . . ?
C30 C31 C32 107.8(3) . . ?
C32 C31 Mo5 72.0(2) . . ?
C32 C31 H31 126.1 . . ?
Mo8 C53 H53 120.2 . . ?
C54 C53 Mo8 74.16(19) . . ?
C54 C53 H53 126.0 . . ?
C54 C53 C52 108.0(4) . . ?
C52 C53 Mo8 71.4(2) . . ?
C52 C53 H53 126.0 . . ?
O3 C13 Mo2 176.4(4) . . ?
Mo7 C43 H43 119.7 . . ?
C44 C43 Mo7 74.4(2) . . ?
C44 C43 H43 125.7 . . ?
C44 C43 C47 108.6(4) . . ?
C47 C43 Mo7 72.0(2) . . ?
C47 C43 H43 125.7 . . ?
Mo8 C50 H50 123.1 . . ?
C54 C50 Mo8 72.03(19) . . ?
C54 C50 H50 126.0 . . ?
C51 C50 Mo8 70.59(19) . . ?
C51 C50 C54 108.1(3) . . ?
C51 C50 H50 126.0 . . ?
Mo7 C46 H46 121.0 . . ?
C45 C46 Mo7 74.3(2) . . ?
C45 C46 H46 125.9 . . ?
C45 C46 C47 108.2(3) . . ?
C47 C46 Mo7 70.6(2) . . ?
C47 C46 H46 125.9 . . ?
O21 C73 C74 109.9(3) . . ?
O21 C73 C76 110.9(3) . . ?
O21 C73 C75 107.8(3) . . ?
C76 C73 C74 108.9(3) . . ?
C76 C73 C75 110.1(3) . . ?
C75 C73 C74 109.3(3) . . ?
Mo5 C33 H33 120.2 . . ?
C32 C33 Mo5 74.2(2) . . ?
C32 C33 H33 125.7 . . ?
C32 C33 C29 108.7(4) . . ?
C29 C33 Mo5 71.7(2) . . ?
C29 C33 H33 125.7 . . ?
F21 C66 F20 107.9(3) . . ?
F21 C66 C65 112.9(3) . . ?
F20 C66 C65 111.2(3) . . ?
F19 C66 F21 107.2(3) . . ?
F19 C66 F20 107.5(3) . . ?
F19 C66 C65 109.9(3) . . ?
O8 C28 Mo4 176.4(4) . . ?
Mo5 C30 H30 121.0 . . ?
C31 C30 Mo5 73.7(2) . . ?
C31 C30 H30 126.2 . . ?
C29 C30 Mo5 70.87(19) . . ?
C29 C30 C31 107.7(4) . . ?
C29 C30 H30 126.2 . . ?
Mo7 C45 H45 122.9 . . ?
C46 C45 Mo7 71.1(2) . . ?
C46 C45 H45 126.1 . . ?
C46 C45 C44 107.8(4) . . ?
C44 C45 Mo7 71.6(2) . . ?
C44 C45 H45 126.1 . . ?
F17A C64 F16A 106.1(5) . . ?
F17A C64 C61A 110.1(5) . . ?
F16A C64 C61A 112.5(5) . . ?
F18A C64 F17A 108.5(4) . . ?
F18A C64 F16A 105.9(5) . . ?
F18A C64 C61A 113.4(4) . . ?
F17B C64 C61B 112.7(15) . . ?
F17B C64 F18B 106.5(10) . . ?
F18B C64 C61B 101.6(9) . . ?
F16B C64 C61B 108.9(13) . . ?
F16B C64 F17B 117.6(15) . . ?
F16B C64 F18B 108.3(14) . . ?
Mo8 C51 H51 120.4 . . ?
C50 C51 Mo8 74.60(19) . . ?
C50 C51 H51 125.8 . . ?
C50 C51 C52 108.4(4) . . ?
C52 C51 Mo8 71.0(2) . . ?
C52 C51 H51 125.8 . . ?
O11 C41 Mo6 176.4(4) . . ?
Mo7 C44 H44 122.0 . . ?
C43 C44 Mo7 70.5(2) . . ?
C43 C44 C45 108.3(4) . . ?
C43 C44 H44 125.8 . . ?
C45 C44 Mo7 73.3(2) . . ?
C45 C44 H44 125.8 . . ?
O5 C20 Mo3 178.2(3) . . ?
O2 C7 Mo1 178.9(3) . . ?
Mo4 C23 H23 120.3 . . ?
C24 C23 Mo4 71.0(2) . . ?
C24 C23 H23 125.2 . . ?
C22 C23 Mo4 75.1(2) . . ?
C22 C23 H23 125.2 . . ?
C22 C23 C24 109.6(4) . . ?
Mo5 C32 H32 121.8 . . ?
C31 C32 Mo5 73.0(2) . . ?
C31 C32 H32 126.0 . . ?
C33 C32 Mo5 70.9(2) . . ?
C33 C32 C31 108.0(4) . . ?
C33 C32 H32 126.0 . . ?
Mo2 C8 H8 121.7 . . ?
C9 C8 Mo2 70.7(2) . . ?
C9 C8 H8 126.3 . . ?
C12 C8 Mo2 73.1(2) . . ?
C12 C8 H8 126.3 . . ?
C12 C8 C9 107.5(4) . . ?
F37 C74 C73 110.8(4) . . ?
F39 C74 F37 107.6(4) . . ?
F39 C74 C73 112.6(4) . . ?
F38 C74 F37 108.0(4) . . ?
F38 C74 F39 107.3(4) . . ?
F38 C74 C73 110.3(4) . . ?
Mo7 C47 H47 120.0 . . ?
C43 C47 Mo7 72.3(2) . . ?
C43 C47 C46 107.1(4) . . ?
C43 C47 H47 126.5 . . ?
C46 C47 Mo7 73.2(2) . . ?
C46 C47 H47 126.5 . . ?
Mo5 C29 H29 119.6 . . ?
C33 C29 Mo5 72.6(2) . . ?
C33 C29 C30 107.8(4) . . ?
C33 C29 H29 126.1 . . ?
C30 C29 Mo5 73.5(2) . . ?
C30 C29 H29 126.1 . . ?
Mo8 C52 H52 119.8 . . ?
C53 C52 Mo8 72.7(2) . . ?
C53 C52 C51 107.3(3) . . ?
C53 C52 H52 126.3 . . ?
C51 C52 Mo8 73.0(2) . . ?
C51 C52 H52 126.3 . . ?
C89A C86 C88A 95.4(6) . . ?
C88B C86 C87B 108.1(9) . . ?
C88B C86 C89B 122.7(6) . . ?
O24A C86 C89A 107.4(5) . . ?
O24A C86 C88A 125.2(5) . . ?
O24A C86 C87A 115.4(13) . . ?
C89B C86 C87B 114.9(8) . . ?
C87A C86 C89A 98.2(11) . . ?
C87A C86 C88A 109.4(12) . . ?
O24B C86 C88B 93.0(5) . . ?
O24B C86 C87B 102.1(10) . . ?
O24B C86 C89B 112.2(5) . . ?
Mo2 C9 H9 120.7 . . ?
C8 C9 Mo2 74.1(2) . . ?
C8 C9 H9 125.6 . . ?
C8 C9 C10 108.9(4) . . ?
C10 C9 Mo2 71.3(2) . . ?
C10 C9 H9 125.6 . . ?
Mo6 C38 H38 123.1 . . ?
C39 C38 Mo6 71.5(2) . . ?
C39 C38 H38 126.0 . . ?
C39 C38 C37 108.1(4) . . ?
C37 C38 Mo6 71.1(2) . . ?
C37 C38 H38 126.0 . . ?
Mo4 C25 H25 119.3 . . ?
C24 C25 Mo4 72.2(2) . . ?
C24 C25 H25 125.8 . . ?
C26 C25 Mo4 74.6(2) . . ?
C26 C25 H25 125.8 . . ?
C26 C25 C24 108.4(4) . . ?
O22 C77 C78A 115.4(4) . . ?
O22 C77 C80A 112.8(4) . . ?
O22 C77 C79A 105.5(4) . . ?
O22 C77 C78B 100.2(4) . . ?
O22 C77 C80B 115.5(4) . . ?
O22 C77 C79B 110.7(4) . . ?
C78A C77 C80A 106.9(4) . . ?
C78A C77 C79A 110.8(5) . . ?
C79A C77 C80A 105.0(5) . . ?
C78B C77 C79B 106.8(6) . . ?
C80B C77 C78B 112.8(6) . . ?
C80B C77 C79B 110.1(6) . . ?
Mo4 C24 H24 120.1 . . ?
C23 C24 Mo4 73.4(2) . . ?
C23 C24 H24 126.5 . . ?
C25 C24 Mo4 71.9(2) . . ?
C25 C24 C23 107.0(4) . . ?
C25 C24 H24 126.5 . . ?
Mo4 C22 H22 123.8 . . ?
C23 C22 Mo4 70.2(2) . . ?
C23 C22 H22 126.7 . . ?
C23 C22 C26 106.6(4) . . ?
C26 C22 Mo4 70.9(2) . . ?
C26 C22 H22 126.7 . . ?
Mo6 C40 H40 120.0 . . ?
C39 C40 Mo6 73.9(2) . . ?
C39 C40 H40 126.1 . . ?
C39 C40 C36 107.7(4) . . ?
C36 C40 Mo6 71.8(2) . . ?
C36 C40 H40 126.1 . . ?
Mo6 C39 H39 121.6 . . ?
C38 C39 Mo6 73.7(2) . . ?
C38 C39 C40 108.3(4) . . ?
C38 C39 H39 125.8 . . ?
C40 C39 Mo6 70.6(3) . . ?
C40 C39 H39 125.8 . . ?
Mo4 C26 H26 121.6 . . ?
C25 C26 Mo4 70.2(2) . . ?
C25 C26 C22 108.4(4) . . ?
C25 C26 H26 125.8 . . ?
C22 C26 Mo4 74.0(2) . . ?
C22 C26 H26 125.8 . . ?
C58A C57A C60A 107.4(5) . . ?
O17 C57A C58A 112.0(4) . . ?
O17 C57A C60A 106.1(4) . . ?
O17 C57A C59A 110.7(5) . . ?
C59A C57A C58A 108.9(5) . . ?
C59A C57A C60A 111.7(6) . . ?
Mo6 C37 H37 121.2 . . ?
C38 C37 Mo6 74.0(2) . . ?
C38 C37 H37 125.9 . . ?
C38 C37 C36 108.1(4) . . ?
C36 C37 Mo6 70.6(2) . . ?
C36 C37 H37 125.9 . . ?
Mo6 C36 H36 119.9 . . ?
C40 C36 Mo6 72.2(2) . . ?
C40 C36 H36 126.1 . . ?
C37 C36 Mo6 73.7(2) . . ?
C37 C36 C40 107.8(4) . . ?
C37 C36 H36 126.1 . . ?
Mo2 C10 H10 119.5 . . ?
C9 C10 Mo2 72.8(2) . . ?
C9 C10 H10 126.5 . . ?
C9 C10 C11 107.1(4) . . ?
C11 C10 Mo2 73.1(2) . . ?
C11 C10 H10 126.5 . . ?
Mo2 C11 H11 120.6 . . ?
C10 C11 Mo2 70.8(2) . . ?
C10 C11 H11 126.2 . . ?
C12 C11 Mo2 74.2(2) . . ?
C12 C11 C10 107.7(4) . . ?
C12 C11 H11 126.2 . . ?
Mo2 C12 H12 123.1 . . ?
C8 C12 Mo2 72.2(2) . . ?
C8 C12 C11 108.9(4) . . ?
C8 C12 H12 125.6 . . ?
C11 C12 Mo2 70.7(2) . . ?
C11 C12 H12 125.6 . . ?
Cl1 C90 H90A 109.4 . . ?
Cl1 C90 H90B 109.4 . . ?
Cl2 C90 Cl1 111.0(3) . . ?
Cl2 C90 H90A 109.4 . . ?
Cl2 C90 H90B 109.4 . . ?
H90A C90 H90B 108.0 . . ?
F22 C67 C65 111.8(3) . . ?
F23 C67 F22 108.3(4) . . ?
F23 C67 F24 108.1(3) . . ?
F23 C67 C65 110.2(3) . . ?
F24 C67 F22 108.4(4) . . ?
F24 C67 C65 110.1(3) . . ?
F43 C76 F44 107.0(4) . . ?
F43 C76 C73 112.8(4) . . ?
F45 C76 F43 107.1(4) . . ?
F45 C76 F44 107.6(4) . . ?
F45 C76 C73 111.7(4) . . ?
F44 C76 C73 110.3(3) . . ?
F1A C58A C57A 112.4(5) . . ?
F3A C58A F1A 107.2(5) . . ?
F3A C58A C57A 109.7(5) . . ?
F2A C58A F1A 108.9(5) . . ?
F2A C58A F3A 106.6(5) . . ?
F2A C58A C57A 111.8(5) . . ?
O1A C6A Mo1 175.3(6) . . ?
F7A C60A F8A 110.6(7) . . ?
F7A C60A C57A 108.6(6) . . ?
F7A C60A F9A 107.5(6) . . ?
F8A C60A C57A 109.3(5) . . ?
F9A C60A F8A 109.0(7) . . ?
F9A C60A C57A 111.8(6) . . ?
Cl4 C91 Cl3 110.9(7) . . ?
Cl4 C91 H91A 109.5 . . ?
Cl4 C91 H91B 109.5 . . ?
Cl3 C91 H91A 109.5 . . ?
Cl3 C91 H91B 109.5 . . ?
H91A C91 H91B 108.0 . . ?
F72B C89A C86 112.7(6) . . ?
F72B C89A F71B 108.1(8) . . ?
F70B C89A F72B 109.8(8) . . ?
F70B C89A C86 114.7(7) . . ?
F70B C89A F71B 103.9(9) . . ?
F71B C89A C86 107.0(7) . . ?
F48A C78A C77 107.2(13) . . ?
F47A C78A F48A 105.7(18) . . ?
F47A C78A F46A 107.8(7) . . ?
F47A C78A C77 112.2(6) . . ?
F46A C78A F48A 108.3(13) . . ?
F46A C78A C77 115.2(6) . . ?
F52A C80A C77 108.0(13) . . ?
F53A C80A F52A 108.0(13) . . ?
F53A C80A C77 111.1(5) . . ?
F53A C80A F54 110.4(6) . . ?
F54 C80A F52A 111.4(13) . . ?
F54 C80A C77 107.8(5) . . ?
F50A C79A F51A 104.8(8) . . ?
F50A C79A C77 108.5(7) . . ?
F50A C79A F49A 110.9(7) . . ?
F51A C79A C77 113.3(7) . . ?
F49A C79A F51A 107.3(7) . . ?
F49A C79A C77 111.8(6) . . ?
O1B C6B Mo1 171.9(9) . . ?
Cl6 C92 Cl5 112.1(5) . . ?
Cl6 C92 H92A 109.2 . . ?
Cl6 C92 H92B 109.2 . . ?
Cl5 C92 H92A 109.2 . . ?
Cl5 C92 H92B 109.2 . . ?
H92A C92 H92B 107.9 . . ?
Mo8 P7 Ag2 109.8(5) . . ?
Mo8 P7 Mo7 69.4(4) . . ?
Mo7 P7 Ag2 103.3(5) . . ?
As8 P7 Ag2 59.4(6) . . ?
As8 P7 Mo8 57.2(5) . . ?
As8 P7 Mo7 61.4(5) . . ?
Ag2 As8 Mo7 108.3(6) . . ?
Mo8 As8 Ag2 119.7(8) . . ?
Mo8 As8 Mo7 72.3(5) . . ?
Mo8 As8 P7 63.3(6) . . ?
P7 As8 Ag2 64.7(6) . . ?
P7 As8 Mo7 63.1(6) . . ?
Mo5 P6 Ag1 115.1(7) . . ?
Mo5 P6 Mo6 74.7(5) . . ?
Mo6 P6 Ag1 113.8(6) . . ?
As5 P6 Ag1 64.0(5) . . ?
As5 P6 Mo5 64.2(6) . . ?
As5 P6 Mo6 65.0(5) . . ?
Mo5 As5 Ag1 116.2(3) . . ?
Mo5 As5 Mo6 73.3(2) . . ?
Mo6 As5 Ag1 114.2(4) . . ?
P6 As5 Ag1 66.9(5) . . ?
P6 As5 Mo5 62.7(5) . . ?
P6 As5 Mo6 62.7(5) . . ?
F69B C88B C86 113.4(7) . . ?
F69B C88B F67 111.2(9) . . ?
F69B C88B F68B 109.2(9) . . ?
F67 C88B C86 107.6(7) . . ?
F68B C88B C86 116.0(8) . . ?
F68B C88B F67 98.5(7) . . ?
F64B C87B C86 104.1(15) . . ?
F66 C87B C86 107.1(12) . . ?
F66 C87B F64B 103.4(17) . . ?
F65B C87B C86 112.0(17) . . ?
F65B C87B F64B 109.1(14) . . ?
F65B C87B F66 119.7(19) . . ?
C86 O24A Al2 148.8(5) . . ?
C84A C82 C85A 93.3(8) . . ?
C83 C82 C84A 110.6(9) . . ?
C83 C82 C85A 104.6(6) . . ?
O23A C82 C84A 104.1(7) . . ?
O23A C82 C85A 130.0(6) . . ?
O23A C82 C83 111.8(4) . . ?
C84B C82 C83 106.5(9) . . ?
C84B C82 C85B 123.4(8) . . ?
C85B C82 C83 111.8(6) . . ?
O23B C82 C83 108.8(4) . . ?
O23B C82 C84B 115.1(8) . . ?
O23B C82 C85B 90.2(6) . . ?
F58A C84A C82 110.2(14) . . ?
F58A C84A F60A 108.0(12) . . ?
F58A C84A F59A 106.6(15) . . ?
F60A C84A C82 113.1(17) . . ?
F59A C84A C82 110.0(8) . . ?
F59A C84A F60A 108.7(17) . . ?
F63A C85A C82 109.3(10) . . ?
F62A C85A C82 103.1(12) . . ?
F62A C85A F63A 112.2(14) . . ?
F61A C85A C82 111.8(12) . . ?
F61A C85A F63A 110.7(12) . . ?
F61A C85A F62A 109.5(13) . . ?
F57 C83 C82 110.0(3) . . ?
F56 C83 C82 111.4(3) . . ?
F56 C83 F57 105.8(3) . . ?
F56 C83 F55 107.9(4) . . ?
F55 C83 C82 114.1(3) . . ?
F55 C83 F57 107.3(4) . . ?
O18 C61A C64 112.1(4) . . ?
O18 C61A C62A 108.3(5) . . ?
O18 C61A C63A 109.1(5) . . ?
C64 C61A C63A 109.4(5) . . ?
C62A C61A C64 108.4(5) . . ?
C62A C61A C63A 109.5(5) . . ?
C82 O23A Al2 146.0(5) . . ?
Mo1 C3B H3B 124.0 . . ?
C2B C3B Mo1 70.0(5) . . ?
C2B C3B H3B 126.1 . . ?
C2B C3B C4B 107.8(8) . . ?
C4B C3B Mo1 71.5(5) . . ?
C4B C3B H3B 126.1 . . ?
Mo1 C2B H2B 121.2 . . ?
C3B C2B Mo1 75.1(5) . . ?
C3B C2B H2B 126.3 . . ?
C1B C2B Mo1 69.2(5) . . ?
C1B C2B C3B 107.4(8) . . ?
C1B C2B H2B 126.3 . . ?
Mo1 C1B H1B 117.6 . . ?
C2B C1B Mo1 75.4(5) . . ?
C2B C1B H1B 125.5 . . ?
C5B C1B Mo1 73.4(4) . . ?
C5B C1B C2B 109.0(9) . . ?
C5B C1B H1B 125.5 . . ?
Mo1 C5B H5B 119.5 . . ?
C1B C5B Mo1 70.8(4) . . ?
C1B C5B H5B 125.9 . . ?
C1B C5B C4B 108.2(8) . . ?
C4B C5B Mo1 75.6(5) . . ?
C4B C5B H5B 125.9 . . ?
Mo1 C4B H4B 122.3 . . ?
C3B C4B Mo1 73.8(5) . . ?
C3B C4B H4B 126.3 . . ?
C5B C4B Mo1 69.2(4) . . ?
C5B C4B C3B 107.5(8) . . ?
C5B C4B H4B 126.3 . . ?
Mo1 C3A H3A 121.9 . . ?
C4A C3A Mo1 74.0(4) . . ?
C4A C3A H3A 126.0 . . ?
C2A C3A Mo1 69.8(4) . . ?
C2A C3A H3A 126.0 . . ?
C2A C3A C4A 108.0(7) . . ?
Mo1 C4A H4A 123.9 . . ?
C3A C4A Mo1 71.4(5) . . ?
C3A C4A H4A 126.1 . . ?
C5A C4A Mo1 70.2(4) . . ?
C5A C4A C3A 107.9(8) . . ?
C5A C4A H4A 126.1 . . ?
Mo1 C5A H5A 120.0 . . ?
C4A C5A Mo1 75.1(4) . . ?
C4A C5A H5A 126.4 . . ?
C4A C5A C1A 107.1(7) . . ?
C1A C5A Mo1 70.3(4) . . ?
C1A C5A H5A 126.4 . . ?
Mo1 C1A H1A 119.5 . . ?
C5A C1A Mo1 74.0(5) . . ?
C5A C1A H1A 125.6 . . ?
C2A C1A Mo1 72.7(5) . . ?
C2A C1A C5A 108.8(8) . . ?
C2A C1A H1A 125.6 . . ?
Mo1 C2A H2A 118.7 . . ?
C3A C2A Mo1 75.1(4) . . ?
C3A C2A H2A 125.9 . . ?
C1A C2A Mo1 72.1(5) . . ?
C1A C2A C3A 108.1(8) . . ?
C1A C2A H2A 125.9 . . ?
Mo3 C19 H19 121.8 . . ?
C15 C19 Mo3 73.2(2) . . ?
C15 C19 H19 126.2 . . ?
C18 C19 Mo3 70.5(2) . . ?
C18 C19 H19 126.2 . . ?
C18 C19 C15 107.5(4) . . ?
Mo3 C15 H15 123.1 . . ?
C19 C15 Mo3 72.2(2) . . ?
C19 C15 H15 126.0 . . ?
C19 C15 C16 108.0(4) . . ?
C16 C15 Mo3 70.3(2) . . ?
C16 C15 H15 126.0 . . ?
Mo3 C16 H16 120.2 . . ?
C15 C16 Mo3 74.4(2) . . ?
C15 C16 H16 125.9 . . ?
C17 C16 Mo3 71.3(2) . . ?
C17 C16 C15 108.2(4) . . ?
C17 C16 H16 125.9 . . ?
Mo3 C17 H17 119.7 . . ?
C16 C17 Mo3 73.2(2) . . ?
C16 C17 H17 126.4 . . ?
C16 C17 C18 107.2(4) . . ?
C18 C17 Mo3 72.6(2) . . ?
C18 C17 H17 126.4 . . ?
Mo3 C18 H18 120.2 . . ?
C19 C18 Mo3 74.4(2) . . ?
C19 C18 C17 109.1(4) . . ?
C19 C18 H18 125.4 . . ?
C17 C18 Mo3 71.6(2) . . ?
C17 C18 H18 125.4 . . ?
F42 C75 C73 110.6(3) . . ?
F42 C75 F40 107.5(4) . . ?
F42 C75 F41 108.0(4) . . ?
F40 C75 C73 111.7(3) . . ?
F41 C75 C73 110.6(4) . . ?
F41 C75 F40 108.4(4) . . ?
F12A C62A C61A 110.6(5) . . ?
F12A C62A F10A 107.1(4) . . ?
F10A C62A C61A 112.6(5) . . ?
F11A C62A C61A 111.4(5) . . ?
F11A C62A F12A 106.7(5) . . ?
F11A C62A F10A 108.1(5) . . ?
F14A C63A C61A 110.2(6) . . ?
F14A C63A F13A 106.2(4) . . ?
F15A C63A C61A 112.0(4) . . ?
F15A C63A F14A 109.3(5) . . ?
F15A C63A F13A 106.9(5) . . ?
F13A C63A C61A 112.0(5) . . ?
O18 C61B C64 107.2(13) . . ?
O18 C61B C62B 105.6(18) . . ?
O18 C61B C63B 113.1(15) . . ?
C62B C61B C64 112.7(18) . . ?
C63B C61B C64 104.5(13) . . ?
C63B C61B C62B 113.8(17) . . ?
F11B C62B C61B 105.4(18) . . ?
F12B C62B C61B 108(2) . . ?
F12B C62B F11B 106.4(17) . . ?
F10B C62B C61B 111.5(18) . . ?
F10B C62B F11B 111(2) . . ?
F10B C62B F12B 113.8(19) . . ?
F15B C63B C61B 113.2(13) . . ?
F15B C63B F13B 106.1(11) . . ?
F15B C63B F14B 106.9(11) . . ?
F13B C63B C61B 110.9(13) . . ?
F13B C63B F14B 108.2(10) . . ?
F14B C63B C61B 111.2(13) . . ?
C57A O17 Al1 158.4(3) . . ?
C57B O17 Al1 155.4(7) . . ?
F2B C58B F3B 102.5(17) . . ?
F2B C58B F1B 104.5(14) . . ?
F2B C58B C57B 116.9(14) . . ?
F3B C58B C57B 108.9(14) . . ?
F1B C58B F3B 108.8(14) . . ?
F1B C58B C57B 114.3(14) . . ?
F1 C89B C86 107.0(7) . . ?
F1 C89B F2 110.2(10) . . ?
F1 C89B F3 107.7(9) . . ?
F2 C89B C86 110.9(7) . . ?
F2 C89B F3 109.6(9) . . ?
F3 C89B C86 111.3(8) . . ?
F67 C88A C86 106.4(7) . . ?
F69A C88A C86 110.9(7) . . ?
F69A C88A F67 106.9(8) . . ?
F69A C88A F68A 108.9(9) . . ?
F68A C88A C86 110.8(8) . . ?
F68A C88A F67 112.9(8) . . ?
F66 C87A C86 120(2) . . ?
F66 C87A F64A 99.7(15) . . ?
F66 C87A F65A 102(2) . . ?
F64A C87A C86 115(2) . . ?
F65A C87A C86 117.7(17) . . ?
F65A C87A F64A 100.1(18) . . ?
F46B C78B C77 108.1(7) . . ?
F47B C78B C77 113.5(7) . . ?
F47B C78B F46B 108.4(8) . . ?
F47B C78B F48B 107.8(8) . . ?
F48B C78B C77 112.6(7) . . ?
F48B C78B F46B 106.1(7) . . ?
F53B C80B C77 110.9(15) . . ?
F53B C80B F52B 107.3(18) . . ?
F53B C80B F54 101.2(15) . . ?
F52B C80B C77 111.6(8) . . ?
F52B C80B F54 110.2(8) . . ?
F54 C80B C77 114.9(7) . . ?
F50B C79B C77 112.1(18) . . ?
F50B C79B F49B 104.3(16) . . ?
F49B C79B C77 111.6(6) . . ?
F51B C79B C77 111.2(8) . . ?
F51B C79B F50B 106.7(19) . . ?
F51B C79B F49B 110.6(10) . . ?
F58B C84B C82 114.9(16) . . ?
F58B C84B F60B 109.8(16) . . ?
F58B C84B F59B 108.7(17) . . ?
F60B C84B C82 107.4(19) . . ?
F59B C84B C82 110.8(11) . . ?
F59B C84B F60B 104.8(17) . . ?
F61B C85B C82 113.8(8) . . ?
F61B C85B F63B 108.6(11) . . ?
F62B C85B C82 115.8(12) . . ?
F62B C85B F61B 105.8(12) . . ?
F62B C85B F63B 103.9(10) . . ?
F63B C85B C82 108.3(8) . . ?
C86 O24B Al2 153.3(5) . . ?
C82 O23B Al2 149.6(4) . . ?
F5B C59B C57B 112.5(15) . . ?
F4B C59B F5B 114(2) . . ?
F4B C59B C57B 115.0(15) . . ?
F6 C59B F5B 95.9(15) . . ?
F6 C59B F4B 112.0(18) . . ?
F6 C59B C57B 105.4(18) . . ?
F4A C59A C57A 108.0(6) . . ?
F6 C59A C57A 114.9(6) . . ?
F6 C59A F4A 106.0(6) . . ?
F6 C59A F5A 106.8(7) . . ?
F5A C59A C57A 112.6(6) . . ?
F5A C59A F4A 108.2(7) . . ?
F7B C60B F9B 107.2(10) . . ?
F7B C60B C57B 110.4(9) . . ?
F7B C60B F8B 109.7(12) . . ?
F9B C60B C57B 109.3(9) . . ?
F8B C60B F9B 110.9(11) . . ?
F8B C60B C57B 109.3(9) . . ?
C69A O20A Al1 149(2) . . ?
O20A C69A C70A 112.9(19) . . ?
O20A C69A C72A 103.9(18) . . ?
O20A C69A C71A 114.9(18) . . ?
C72A C69A C70A 108.7(15) . . ?
C71A C69A C70A 108.1(16) . . ?
C71A C69A C72A 108.1(16) . . ?
F30A C70A C69A 111.4(8) . . ?
F30A C70A F28A 110.4(11) . . ?
F30A C70A F29A 105.8(9) . . ?
F28A C70A C69A 112.4(14) . . ?
F28A C70A F29A 109.0(14) . . ?
F29A C70A C69A 107.6(15) . . ?
F35A C72A C69A 108.2(16) . . ?
F35A C72A F36A 107.8(13) . . ?
F36A C72A C69A 106.0(11) . . ?
F34A C72A C69A 113.5(15) . . ?
F34A C72A F35A 108.5(13) . . ?
F34A C72A F36A 112.6(11) . . ?
F33A C71A C69A 111.3(9) . . ?
F33A C71A F31A 107.0(11) . . ?
F33A C71A F32A 107.2(13) . . ?
F31A C71A C69A 111.9(16) . . ?
F32A C71A C69A 110.5(14) . . ?
F32A C71A F31A 108.8(12) . . ?
C69B O20B Al1 148.1(12) . . ?
O20B C69B C70B 114.7(19) . . ?
O20B C69B C72B 110.2(18) . . ?
O20B C69B C71B 107.7(16) . . ?
C70B C69B C72B 106.5(16) . . ?
C70B C69B C71B 109.6(19) . . ?
C71B C69B C72B 108.0(17) . . ?
F30B C70B C69B 108.3(13) . . ?
F30B C70B F28B 108.3(12) . . ?
F30B C70B F29B 107.4(12) . . ?
F28B C70B C69B 114.2(18) . . ?
F28B C70B F29B 108.2(12) . . ?
F29B C70B C69B 110.2(15) . . ?
F34B C72B C69B 111.8(12) . . ?
F34B C72B F35B 107.9(12) . . ?
F34B C72B F36B 106.3(12) . . ?
F35B C72B C69B 109.4(14) . . ?
F35B C72B F36B 106.9(11) . . ?
F36B C72B C69B 114.3(16) . . ?
F32B C71B C69B 112.0(17) . . ?
F32B C71B F33B 105.4(15) . . ?
F32B C71B F31B 106.5(18) . . ?
F33B C71B C69B 112.7(18) . . ?
F33B C71B F31B 109.3(14) . . ?
F31B C71B C69B 110.7(13) . . ?
O17 C57B C58B 95.2(10) . . ?
O17 C57B C59B 104.0(12) . . ?
O17 C57B C60B 126.9(11) . . ?
C59B C57B C58B 108.4(15) . . ?
C60B C57B C58B 106.1(11) . . ?
C60B C57B C59B 113.7(14) . . ?
C69C O1 Al1 142.8(18) . . ?
O1 C69C C71C 107.2(19) . . ?
O1 C69C C70C 104.7(19) . . ?
O1 C69C C72C 114(2) . . ?
C70C C69C C71C 110.6(17) . . ?
C70C C69C C72C 111.9(16) . . ?
C72C C69C C71C 108.6(17) . . ?
F33C C71C C69C 111.0(16) . . ?
F33C C71C F31C 107.0(15) . . ?
F31C C71C C69C 110.8(17) . . ?
F32C C71C C69C 110.4(10) . . ?
F32C C71C F33C 110.4(15) . . ?
F32C C71C F31C 107.1(10) . . ?
F28C C70C C69C 111.1(10) . . ?
F28C C70C F29C 109.7(13) . . ?
F28C C70C F30C 106.2(11) . . ?
F29C C70C C69C 109.8(16) . . ?
F29C C70C F30C 108.4(13) . . ?
F30C C70C C69C 111.7(17) . . ?
F36C C72C C69C 112.3(17) . . ?
F36C C72C F35C 108.8(14) . . ?
F34C C72C C69C 110.9(19) . . ?
F34C C72C F36C 103.7(16) . . ?
F34C C72C F35C 106.6(13) . . ?
F35C C72C C69C 113.8(11) . . ?

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
Mo5 C31 C30 C29 63.2(2) . . . . ?
Mo5 C31 C32 C33 -62.7(3) . . . . ?
Mo5 C33 C32 C31 64.0(2) . . . . ?
Mo5 C33 C29 C30 -65.6(2) . . . . ?
Mo5 C30 C29 C33 65.0(2) . . . . ?
Mo8 C54 C53 C52 63.9(2) . . . . ?
Mo8 C54 C50 C51 -61.8(2) . . . . ?
Mo8 C53 C52 C51 65.3(2) . . . . ?
Mo8 C50 C51 C52 -63.3(2) . . . . ?
Mo8 C51 C52 C53 -65.1(2) . . . . ?
Mo7 C43 C44 C45 -64.0(3) . . . . ?
Mo7 C43 C47 C46 65.5(2) . . . . ?
Mo7 C46 C45 C44 62.6(2) . . . . ?
Mo7 C46 C47 C43 -64.8(3) . . . . ?
Mo7 C45 C44 C43 62.2(3) . . . . ?
Mo4 C23 C24 C25 -64.5(3) . . . . ?
Mo4 C23 C22 C26 62.0(3) . . . . ?
Mo4 C25 C24 C23 65.5(3) . . . . ?
Mo4 C25 C26 C22 -64.7(3) . . . . ?
Mo4 C22 C26 C25 62.2(3) . . . . ?
Mo1 C3B C2B C1B 62.0(6) . . . . ?
Mo1 C3B C4B C5B -61.4(6) . . . . ?
Mo1 C2B C1B C5B 66.3(6) . . . . ?
Mo1 C1B C5B C4B 67.0(6) . . . . ?
Mo1 C5B C4B C3B 64.4(6) . . . . ?
Mo1 C3A C4A C5A -61.1(5) . . . . ?
Mo1 C3A C2A C1A 65.0(6) . . . . ?
Mo1 C4A C5A C1A -63.5(5) . . . . ?
Mo1 C5A C1A C2A -64.8(6) . . . . ?
Mo1 C1A C2A C3A -67.1(5) . . . . ?
Mo2 C8 C9 C10 -63.3(3) . . . . ?
Mo2 C8 C12 C11 61.6(3) . . . . ?
Mo2 C9 C10 C11 -65.6(3) . . . . ?
Mo2 C10 C11 C12 -65.6(3) . . . . ?
Mo2 C11 C12 C8 -62.5(3) . . . . ?
Mo6 C38 C39 C40 -62.5(3) . . . . ?
Mo6 C38 C37 C36 62.8(3) . . . . ?
Mo6 C40 C39 C38 64.5(3) . . . . ?
Mo6 C40 C36 C37 -65.6(3) . . . . ?
Mo6 C37 C36 C40 64.6(3) . . . . ?
Mo3 C19 C15 C16 -61.6(3) . . . . ?
Mo3 C19 C18 C17 63.7(3) . . . . ?
Mo3 C15 C16 C17 -63.7(3) . . . . ?
Mo3 C16 C17 C18 -65.2(3) . . . . ?
Mo3 C17 C18 C19 -65.5(3) . . . . ?
Al1 O18 C61A C64 -52.0(7) . . . . ?
Al1 O18 C61A C62A -171.6(3) . . . . ?
Al1 O18 C61A C63A 69.4(8) . . . . ?
Al1 O18 C61B C64 -5(2) . . . . ?
Al1 O18 C61B C62B -125.6(18) . . . . ?
Al1 O18 C61B C63B 109(2) . . . . ?
Al1 O19 C65 C68 145.1(4) . . . . ?
Al1 O19 C65 C66 25.3(6) . . . . ?
Al1 O19 C65 C67 -95.5(5) . . . . ?
Al1 O17 C57B C58B 159.8(13) . . . . ?
Al1 O17 C57B C59B 49(2) . . . . ?
Al1 O17 C57B C60B -86(2) . . . . ?
Al1 O20A C69A C70A 12(4) . . . . ?
Al1 O20A C69A C72A 129(3) . . . . ?
Al1 O20A C69A C71A -113(3) . . . . ?
Al1 O20B C69B C70B -52(3) . . . . ?
Al1 O20B C69B C72B 68(3) . . . . ?
Al1 O20B C69B C71B -174(2) . . . . ?
Al1 O1 C69C C71C 152(3) . . . . ?
Al1 O1 C69C C70C -90(3) . . . . ?
Al1 O1 C69C C72C 32(4) . . . . ?
Al2 O21 C73 C74 -54.9(7) . . . . ?
Al2 O21 C73 C76 65.6(7) . . . . ?
Al2 O21 C73 C75 -173.9(5) . . . . ?
Al2 O22 C77 C78A -149.4(5) . . . . ?
Al2 O22 C77 C80A -26.1(7) . . . . ?
Al2 O22 C77 C79A 87.9(6) . . . . ?
Al2 O22 C77 C78B -105.0(6) . . . . ?
Al2 O22 C77 C80B 16.5(8) . . . . ?
Al2 O22 C77 C79B 142.5(6) . . . . ?
F17A C64 C61A O18 45.5(6) . . . . ?
F17A C64 C61A C62A 164.9(5) . . . . ?
F17A C64 C61A C63A -75.7(6) . . . . ?
O18 Al1 O19 C65 20.0(5) . . . . ?
O18 Al1 O17 C57A 87.6(9) . . . . ?
O18 Al1 O17 C57B 118.8(19) . . . . ?
O18 Al1 O20A C69A 164(3) . . . . ?
O18 Al1 O20B C69B -86(3) . . . . ?
O18 Al1 O1 C69C -174(3) . . . . ?
O18 C61A C62A F12A -72.8(6) . . . . ?
O18 C61A C62A F10A 167.5(5) . . . . ?
O18 C61A C62A F11A 45.8(7) . . . . ?
O18 C61A C63A F14A 40.6(6) . . . . ?
O18 C61A C63A F15A -81.3(6) . . . . ?
O18 C61A C63A F13A 158.5(5) . . . . ?
O18 C61B C62B F11B -82.9(19) . . . . ?
O18 C61B C62B F12B 163.5(16) . . . . ?
O18 C61B C62B F10B 38(3) . . . . ?
O18 C61B C63B F15B -78.8(19) . . . . ?
O18 C61B C63B F13B 162.0(13) . . . . ?
O18 C61B C63B F14B 41.6(19) . . . . ?
O19 Al1 O18 C61A -159.4(6) . . . . ?
O19 Al1 O18 C61B 172.7(18) . . . . ?
O19 Al1 O17 C57A -31.3(10) . . . . ?
O19 Al1 O17 C57B -0.1(19) . . . . ?
O19 Al1 O20A C69A -80(3) . . . . ?
O19 Al1 O20B C69B 43(3) . . . . ?
O19 Al1 O1 C69C -58(3) . . . . ?
O19 C65 C68 F26 41.8(4) . . . . ?
O19 C65 C68 F27 -76.3(3) . . . . ?
O19 C65 C68 F25 162.3(3) . . . . ?
O19 C65 C66 F21 156.5(3) . . . . ?
O19 C65 C66 F20 -82.0(3) . . . . ?
O19 C65 C66 F19 36.9(4) . . . . ?
O19 C65 C67 F22 164.7(3) . . . . ?
O19 C65 C67 F23 44.3(4) . . . . ?
O19 C65 C67 F24 -74.7(4) . . . . ?
F16A C64 C61A O18 163.6(5) . . . . ?
F16A C64 C61A C62A -77.0(6) . . . . ?
F16A C64 C61A C63A 42.3(6) . . . . ?
O21 Al2 O22 C77 -178.1(5) . . . . ?
O21 Al2 O24A C86 -79.2(9) . . . . ?
O21 Al2 O23A C82 71.4(9) . . . . ?
O21 C73 C74 F37 79.4(4) . . . . ?
O21 C73 C74 F39 -159.9(4) . . . . ?
O21 C73 C74 F38 -40.1(5) . . . . ?
O21 C73 C76 F43 -165.0(3) . . . . ?
O21 C73 C76 F45 -44.3(5) . . . . ?
O21 C73 C76 F44 75.3(5) . . . . ?
O21 C73 C75 F42 -44.7(4) . . . . ?
O21 C73 C75 F40 -164.3(4) . . . . ?
O21 C73 C75 F41 74.9(4) . . . . ?
O22 Al2 O21 C73 8.9(6) . . . . ?
O22 Al2 O24A C86 166.2(9) . . . . ?
O22 Al2 O23A C82 -174.5(8) . . . . ?
O22 Al2 O24B C86 -91.2(12) . . . . ?
O22 Al2 O23B C82 98.7(9) . . . . ?
O22 C77 C78A F48A -69.5(17) . . . . ?
O22 C77 C78A F47A 46.1(7) . . . . ?
O22 C77 C78A F46A 169.9(6) . . . . ?
O22 C77 C80A F52A 36.4(14) . . . . ?
O22 C77 C80A F53A -81.9(6) . . . . ?
O22 C77 C80A F54 156.9(4) . . . . ?
O22 C77 C79A F50A 39.3(7) . . . . ?
O22 C77 C79A F51A -76.7(6) . . . . ?
O22 C77 C79A F49A 162.0(6) . . . . ?
O22 C77 C78B F46B 83.9(7) . . . . ?
O22 C77 C78B F47B -36.4(8) . . . . ?
O22 C77 C78B F48B -159.3(6) . . . . ?
O22 C77 C80B F53B -36.4(18) . . . . ?
O22 C77 C80B F52B 83.3(9) . . . . ?
O22 C77 C80B F54 -150.4(6) . . . . ?
O22 C77 C79B F50B 69.6(17) . . . . ?
O22 C77 C79B F49B -173.7(7) . . . . ?
O22 C77 C79B F51B -49.7(11) . . . . ?
F18A C64 C61A O18 -76.3(5) . . . . ?
F18A C64 C61A C62A 43.2(6) . . . . ?
F18A C64 C61A C63A 162.5(4) . . . . ?
C68 C65 C66 F21 37.0(4) . . . . ?
C68 C65 C66 F20 158.4(3) . . . . ?
C68 C65 C66 F19 -82.7(3) . . . . ?
C68 C65 C67 F22 -76.1(4) . . . . ?
C68 C65 C67 F23 163.5(3) . . . . ?
C68 C65 C67 F24 44.4(4) . . . . ?
C54 C53 C52 Mo8 -65.7(2) . . . . ?
C54 C53 C52 C51 -0.4(4) . . . . ?
C54 C50 C51 Mo8 62.7(2) . . . . ?
C54 C50 C51 C52 -0.7(4) . . . . ?
C31 C30 C29 Mo5 -65.0(2) . . . . ?
C31 C30 C29 C33 0.0(4) . . . . ?
C53 C54 C50 Mo8 62.2(2) . . . . ?
C53 C54 C50 C51 0.4(4) . . . . ?
C50 C54 C53 Mo8 -63.9(2) . . . . ?
C50 C54 C53 C52 -0.1(4) . . . . ?
C50 C51 C52 Mo8 65.7(2) . . . . ?
C50 C51 C52 C53 0.6(4) . . . . ?
C46 C45 C44 Mo7 -62.2(2) . . . . ?
C46 C45 C44 C43 0.0(4) . . . . ?
C66 C65 C68 F26 163.3(3) . . . . ?
C66 C65 C68 F27 45.3(4) . . . . ?
C66 C65 C68 F25 -76.1(4) . . . . ?
C66 C65 C67 F22 42.0(4) . . . . ?
C66 C65 C67 F23 -78.4(4) . . . . ?
C66 C65 C67 F24 162.5(3) . . . . ?
C30 C31 C32 Mo5 62.5(2) . . . . ?
C30 C31 C32 C33 -0.2(4) . . . . ?
C45 C46 C47 Mo7 65.2(2) . . . . ?
C45 C46 C47 C43 0.4(4) . . . . ?
C64 C61A C62A F12A 165.4(4) . . . . ?
C64 C61A C62A F10A 45.6(6) . . . . ?
C64 C61A C62A F11A -76.1(6) . . . . ?
C64 C61A C63A F14A 163.6(5) . . . . ?
C64 C61A C63A F15A 41.7(6) . . . . ?
C64 C61A C63A F13A -78.4(6) . . . . ?
C64 C61B C62B F11B 160.4(14) . . . . ?
C64 C61B C62B F12B 47(2) . . . . ?
C64 C61B C62B F10B -79(3) . . . . ?
C64 C61B C63B F15B 37.4(18) . . . . ?
C64 C61B C63B F13B -81.8(14) . . . . ?
C64 C61B C63B F14B 157.8(12) . . . . ?
C44 C43 C47 Mo7 -65.9(3) . . . . ?
C44 C43 C47 C46 -0.4(4) . . . . ?
C23 C22 C26 Mo4 -61.6(3) . . . . ?
C23 C22 C26 C25 0.6(4) . . . . ?
C32 C31 C30 Mo5 -63.1(2) . . . . ?
C32 C31 C30 C29 0.1(4) . . . . ?
C32 C33 C29 Mo5 65.5(3) . . . . ?
C32 C33 C29 C30 -0.1(4) . . . . ?
C8 C9 C10 Mo2 65.1(3) . . . . ?
C8 C9 C10 C11 -0.5(4) . . . . ?
C74 C73 C76 F43 -43.9(4) . . . . ?
C74 C73 C76 F45 76.8(5) . . . . ?
C74 C73 C76 F44 -163.6(4) . . . . ?
C74 C73 C75 F42 -164.2(3) . . . . ?
C74 C73 C75 F40 76.2(4) . . . . ?
C74 C73 C75 F41 -44.6(4) . . . . ?
C47 C43 C44 Mo7 64.3(3) . . . . ?
C47 C43 C44 C45 0.3(4) . . . . ?
C47 C46 C45 Mo7 -62.9(2) . . . . ?
C47 C46 C45 C44 -0.3(4) . . . . ?
C29 C33 C32 Mo5 -63.8(3) . . . . ?
C29 C33 C32 C31 0.2(4) . . . . ?
C9 C8 C12 Mo2 -62.7(3) . . . . ?
C9 C8 C12 C11 -1.2(4) . . . . ?
C9 C10 C11 Mo2 65.4(3) . . . . ?
C9 C10 C11 C12 -0.2(4) . . . . ?
C38 C37 C36 Mo6 -65.0(3) . . . . ?
C38 C37 C36 C40 -0.4(5) . . . . ?
C24 C23 C22 Mo4 -63.2(3) . . . . ?
C24 C23 C22 C26 -1.2(4) . . . . ?
C24 C25 C26 Mo4 64.8(3) . . . . ?
C24 C25 C26 C22 0.1(5) . . . . ?
C22 C23 C24 Mo4 65.8(3) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C39 C38 C37 Mo6 -62.3(3) . . . . ?
C39 C38 C37 C36 0.5(5) . . . . ?
C39 C40 C36 Mo6 65.7(3) . . . . ?
C39 C40 C36 C37 0.1(5) . . . . ?
C26 C25 C24 Mo4 -66.3(3) . . . . ?
C26 C25 C24 C23 -0.8(5) . . . . ?
C37 C38 C39 Mo6 62.0(3) . . . . ?
C37 C38 C39 C40 -0.4(5) . . . . ?
C36 C40 C39 Mo6 -64.3(3) . . . . ?
C36 C40 C39 C38 0.2(5) . . . . ?
C10 C11 C12 Mo2 63.4(3) . . . . ?
C10 C11 C12 C8 0.9(4) . . . . ?
C12 C8 C9 Mo2 64.3(3) . . . . ?
C12 C8 C9 C10 1.0(4) . . . . ?
C67 C65 C68 F26 -78.9(3) . . . . ?
C67 C65 C68 F27 163.1(3) . . . . ?
C67 C65 C68 F25 41.7(4) . . . . ?
C67 C65 C66 F21 -81.2(4) . . . . ?
C67 C65 C66 F20 40.2(4) . . . . ?
C67 C65 C66 F19 159.2(3) . . . . ?
C76 C73 C74 F37 -42.2(4) . . . . ?
C76 C73 C74 F39 78.5(5) . . . . ?
C76 C73 C74 F38 -161.7(4) . . . . ?
C76 C73 C75 F42 76.3(4) . . . . ?
C76 C73 C75 F40 -43.3(5) . . . . ?
C76 C73 C75 F41 -164.1(3) . . . . ?
C58A C57A C60A F7A 166.9(6) . . . . ?
C58A C57A C60A F8A 46.2(6) . . . . ?
C58A C57A C60A F9A -74.7(8) . . . . ?
C58A C57A O17 Al1 152.6(7) . . . . ?
C58A C57A C59A F4A 165.8(6) . . . . ?
C58A C57A C59A F6 -76.2(6) . . . . ?
C58A C57A C59A F5A 46.3(9) . . . . ?
C60A C57A C58A F1A 48.1(7) . . . . ?
C60A C57A C58A F3A 167.2(5) . . . . ?
C60A C57A C58A F2A -74.7(6) . . . . ?
C60A C57A O17 Al1 -90.6(10) . . . . ?
C60A C57A C59A F4A 47.3(7) . . . . ?
C60A C57A C59A F6 165.4(5) . . . . ?
C60A C57A C59A F5A -72.1(9) . . . . ?
C89A C86 O24A Al2 152.5(9) . . . . ?
C89A C86 C88A F67 69.0(7) . . . . ?
C89A C86 C88A F69A -175.1(8) . . . . ?
C89A C86 C88A F68A -54.1(9) . . . . ?
C89A C86 C87A F66 -101.6(19) . . . . ?
C89A C86 C87A F64A 139.9(18) . . . . ?
C89A C86 C87A F65A 22(2) . . . . ?
C78A C77 C80A F52A 164.3(13) . . . . ?
C78A C77 C80A F53A 46.0(7) . . . . ?
C78A C77 C80A F54 -75.2(6) . . . . ?
C78A C77 C79A F50A -86.3(7) . . . . ?
C78A C77 C79A F51A 157.7(6) . . . . ?
C78A C77 C79A F49A 36.4(8) . . . . ?
C80A C77 C78A F48A 164.2(17) . . . . ?
C80A C77 C78A F47A -80.2(7) . . . . ?
C80A C77 C78A F46A 43.7(8) . . . . ?
C80A C77 C79A F50A 158.7(6) . . . . ?
C80A C77 C79A F51A 42.6(7) . . . . ?
C80A C77 C79A F49A -78.7(7) . . . . ?
C79A C77 C78A F48A 50.4(17) . . . . ?
C79A C77 C78A F47A 166.0(6) . . . . ?
C79A C77 C78A F46A -70.2(7) . . . . ?
C79A C77 C80A F52A -78.0(14) . . . . ?
C79A C77 C80A F53A 163.7(6) . . . . ?
C79A C77 C80A F54 42.5(6) . . . . ?
C88B C86 C87B F64B 47.3(17) . . . . ?
C88B C86 C87B F66 156.4(11) . . . . ?
C88B C86 C87B F65B -70.4(15) . . . . ?
C88B C86 C89B F1 -61.4(10) . . . . ?
C88B C86 C89B F2 178.4(8) . . . . ?
C88B C86 C89B F3 56.1(9) . . . . ?
C88B C86 O24B Al2 167.9(12) . . . . ?
C87B C86 C88B F69B -79.8(13) . . . . ?
C87B C86 C88B F67 156.8(10) . . . . ?
C87B C86 C88B F68B 47.7(12) . . . . ?
C87B C86 C89B F1 163.9(12) . . . . ?
C87B C86 C89B F2 43.6(14) . . . . ?
C87B C86 C89B F3 -78.7(13) . . . . ?
C87B C86 O24B Al2 -82.9(14) . . . . ?
O24A Al2 O21 C73 -101.6(6) . . . . ?
O24A Al2 O22 C77 -65.4(6) . . . . ?
O24A Al2 O23A C82 -57.5(10) . . . . ?
O24A C86 C89A F72B 163.0(7) . . . . ?
O24A C86 C89A F70B 36.3(10) . . . . ?
O24A C86 C89A F71B -78.4(8) . . . . ?
O24A C86 C88A F67 -46.7(9) . . . . ?
O24A C86 C88A F69A 69.1(9) . . . . ?
O24A C86 C88A F68A -169.8(7) . . . . ?
O24A C86 C87A F66 12(2) . . . . ?
O24A C86 C87A F64A -106.4(19) . . . . ?
O24A C86 C87A F65A 136.1(17) . . . . ?
C84A C82 C85A F63A 160.2(12) . . . . ?
C84A C82 C85A F62A -80.3(13) . . . . ?
C84A C82 C85A F61A 37.3(14) . . . . ?
C84A C82 C83 F57 54.5(7) . . . . ?
C84A C82 C83 F56 171.4(6) . . . . ?
C84A C82 C83 F55 -66.1(7) . . . . ?
C84A C82 O23A Al2 -165.4(11) . . . . ?
C85A C82 C84A F58A -62.5(13) . . . . ?
C85A C82 C84A F60A 58.5(13) . . . . ?
C85A C82 C84A F59A -179.8(15) . . . . ?
C85A C82 C83 F57 153.8(6) . . . . ?
C85A C82 C83 F56 -89.2(6) . . . . ?
C85A C82 C83 F55 33.2(7) . . . . ?
C85A C82 O23A Al2 87.8(12) . . . . ?
C83 C82 C84A F58A 44.4(13) . . . . ?
C83 C82 C84A F60A 165.5(10) . . . . ?
C83 C82 C84A F59A -72.8(16) . . . . ?
C83 C82 C85A F63A 47.9(9) . . . . ?
C83 C82 C85A F62A 167.4(9) . . . . ?
C83 C82 C85A F61A -75.1(11) . . . . ?
C83 C82 O23A Al2 -45.9(9) . . . . ?
C83 C82 C84B F58B 39.1(14) . . . . ?
C83 C82 C84B F60B 161.5(12) . . . . ?
C83 C82 C84B F59B -84.6(15) . . . . ?
C83 C82 C85B F61B -71.5(10) . . . . ?
C83 C82 C85B F62B 165.6(9) . . . . ?
C83 C82 C85B F63B 49.4(10) . . . . ?
C83 C82 O23B Al2 54.5(10) . . . . ?
O23A Al2 O21 C73 117.5(6) . . . . ?
O23A Al2 O22 C77 69.2(6) . . . . ?
O23A Al2 O24A C86 50.0(11) . . . . ?
O23A C82 C84A F58A 164.7(10) . . . . ?
O23A C82 C84A F60A -74.3(12) . . . . ?
O23A C82 C84A F59A 47.5(17) . . . . ?
O23A C82 C85A F63A -88.2(11) . . . . ?
O23A C82 C85A F62A 31.3(14) . . . . ?
O23A C82 C85A F61A 148.8(8) . . . . ?
O23A C82 C83 F57 -61.0(5) . . . . ?
O23A C82 C83 F56 55.9(5) . . . . ?
O23A C82 C83 F55 178.4(4) . . . . ?
C3B C2B C1B Mo1 -65.9(6) . . . . ?
C3B C2B C1B C5B 0.4(10) . . . . ?
C2B C3B C4B Mo1 61.0(6) . . . . ?
C2B C3B C4B C5B -0.5(10) . . . . ?
C2B C1B C5B Mo1 -67.6(6) . . . . ?
C2B C1B C5B C4B -0.7(10) . . . . ?
C1B C5B C4B Mo1 -63.8(6) . . . . ?
C1B C5B C4B C3B 0.7(9) . . . . ?
C4B C3B C2B Mo1 -61.9(6) . . . . ?
C4B C3B C2B C1B 0.1(10) . . . . ?
C3A C4A C5A Mo1 61.9(6) . . . . ?
C3A C4A C5A C1A -1.6(9) . . . . ?
C4A C3A C2A Mo1 -64.7(5) . . . . ?
C4A C3A C2A C1A 0.4(9) . . . . ?
C4A C5A C1A Mo1 66.7(5) . . . . ?
C4A C5A C1A C2A 1.9(9) . . . . ?
C5A C1A C2A Mo1 65.7(6) . . . . ?
C5A C1A C2A C3A -1.4(9) . . . . ?
C2A C3A C4A Mo1 61.9(5) . . . . ?
C2A C3A C4A C5A 0.8(9) . . . . ?
C19 C15 C16 Mo3 62.7(3) . . . . ?
C19 C15 C16 C17 -1.0(4) . . . . ?
C15 C19 C18 Mo3 -64.3(3) . . . . ?
C15 C19 C18 C17 -0.6(4) . . . . ?
C15 C16 C17 Mo3 65.8(3) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C17 C18 Mo3 65.5(3) . . . . ?
C16 C17 C18 C19 0.0(5) . . . . ?
C18 C19 C15 Mo3 62.5(3) . . . . ?
C18 C19 C15 C16 1.0(4) . . . . ?
C75 C73 C74 F37 -162.5(3) . . . . ?
C75 C73 C74 F39 -41.8(5) . . . . ?
C75 C73 C74 F38 78.0(4) . . . . ?
C75 C73 C76 F43 75.9(4) . . . . ?
C75 C73 C76 F45 -163.4(4) . . . . ?
C75 C73 C76 F44 -43.8(5) . . . . ?
C62A C61A C63A F14A -77.7(6) . . . . ?
C62A C61A C63A F15A 160.4(5) . . . . ?
C62A C61A C63A F13A 40.2(7) . . . . ?
C63A C61A C62A F12A 46.1(7) . . . . ?
C63A C61A C62A F10A -73.7(7) . . . . ?
C63A C61A C62A F11A 164.6(6) . . . . ?
C62B C61B C63B F15B 160.7(19) . . . . ?
C62B C61B C63B F13B 42(3) . . . . ?
C62B C61B C63B F14B -79(2) . . . . ?
F17B C64 C61B O18 38.6(14) . . . . ?
F17B C64 C61B C62B 154.3(18) . . . . ?
F17B C64 C61B C63B -81.7(17) . . . . ?
F18B C64 C61B O18 -75.0(11) . . . . ?
F18B C64 C61B C62B 40.8(18) . . . . ?
F18B C64 C61B C63B 164.8(12) . . . . ?
F16B C64 C61B O18 170.9(13) . . . . ?
F16B C64 C61B C62B -73(2) . . . . ?
F16B C64 C61B C63B 50.6(18) . . . . ?
C63B C61B C62B F11B 42(3) . . . . ?
C63B C61B C62B F12B -72(3) . . . . ?
C63B C61B C62B F10B 162.1(19) . . . . ?
O17 Al1 O18 C61A 80.7(6) . . . . ?
O17 Al1 O18 C61B 52.8(18) . . . . ?
O17 Al1 O19 C65 142.7(5) . . . . ?
O17 Al1 O20A C69A 39(3) . . . . ?
O17 Al1 O20B C69B 157(3) . . . . ?
O17 Al1 O1 C69C 66(3) . . . . ?
O17 C57A C58A F1A 164.2(5) . . . . ?
O17 C57A C58A F3A -76.7(6) . . . . ?
O17 C57A C58A F2A 41.4(7) . . . . ?
O17 C57A C60A F7A 46.9(7) . . . . ?
O17 C57A C60A F8A -73.8(6) . . . . ?
O17 C57A C60A F9A 165.4(6) . . . . ?
O17 C57A C59A F4A -70.7(8) . . . . ?
O17 C57A C59A F6 47.4(7) . . . . ?
O17 C57A C59A F5A 169.9(7) . . . . ?
F2B C58B C57B O17 59.1(17) . . . . ?
F2B C58B C57B C59B 165.7(16) . . . . ?
F2B C58B C57B C60B -71.8(16) . . . . ?
F3B C58B C57B O17 -56.5(17) . . . . ?
F3B C58B C57B C59B 50.2(18) . . . . ?
F3B C58B C57B C60B 172.6(13) . . . . ?
F1B C58B C57B O17 -178.4(15) . . . . ?
F1B C58B C57B C59B -71.7(19) . . . . ?
F1B C58B C57B C60B 50.7(18) . . . . ?
C89B C86 C88B F69B 142.9(9) . . . . ?
C89B C86 C88B F67 19.5(9) . . . . ?
C89B C86 C88B F68B -89.6(9) . . . . ?
C89B C86 C87B F64B -171.6(11) . . . . ?
C89B C86 C87B F66 -62.5(16) . . . . ?
C89B C86 C87B F65B 70.7(17) . . . . ?
C89B C86 O24B Al2 40.6(14) . . . . ?
C88A C86 C89A F72B 33.5(9) . . . . ?
C88A C86 C89A F70B -93.2(9) . . . . ?
C88A C86 C89A F71B 152.1(7) . . . . ?
C88A C86 O24A Al2 -97.5(11) . . . . ?
C88A C86 C87A F66 159.7(16) . . . . ?
C88A C86 C87A F64A 41(2) . . . . ?
C88A C86 C87A F65A -76(2) . . . . ?
C87A C86 C89A F72B -77.1(14) . . . . ?
C87A C86 C89A F70B 156.3(14) . . . . ?
C87A C86 C89A F71B 41.6(14) . . . . ?
C87A C86 O24A Al2 44.2(15) . . . . ?
C87A C86 C88A F67 169.7(12) . . . . ?
C87A C86 C88A F69A -74.5(14) . . . . ?
C87A C86 C88A F68A 46.6(14) . . . . ?
C78B C77 C80B F53B 78.1(18) . . . . ?
C78B C77 C80B F52B -162.3(8) . . . . ?
C78B C77 C80B F54 -35.9(9) . . . . ?
C78B C77 C79B F50B -38.5(17) . . . . ?
C78B C77 C79B F49B 78.2(9) . . . . ?
C78B C77 C79B F51B -157.9(10) . . . . ?
C80B C77 C78B F46B -39.5(8) . . . . ?
C80B C77 C78B F47B -159.8(7) . . . . ?
C80B C77 C78B F48B 77.3(8) . . . . ?
C80B C77 C79B F50B -161.4(17) . . . . ?
C80B C77 C79B F49B -44.7(10) . . . . ?
C80B C77 C79B F51B 79.3(10) . . . . ?
C79B C77 C78B F46B -160.7(6) . . . . ?
C79B C77 C78B F47B 79.1(8) . . . . ?
C79B C77 C78B F48B -43.8(8) . . . . ?
C79B C77 C80B F53B -162.7(17) . . . . ?
C79B C77 C80B F52B -43.1(9) . . . . ?
C79B C77 C80B F54 83.3(8) . . . . ?
C84B C82 C83 F57 35.7(7) . . . . ?
C84B C82 C83 F56 152.7(7) . . . . ?
C84B C82 C83 F55 -84.9(7) . . . . ?
C84B C82 C85B F61B 57.5(16) . . . . ?
C84B C82 C85B F62B -65.4(15) . . . . ?
C84B C82 C85B F63B 178.4(11) . . . . ?
C84B C82 O23B Al2 -64.9(13) . . . . ?
C85B C82 C83 F57 173.1(5) . . . . ?
C85B C82 C83 F56 -69.9(6) . . . . ?
C85B C82 C83 F55 52.5(6) . . . . ?
C85B C82 C84B F58B -92.1(16) . . . . ?
C85B C82 C84B F60B 30.3(19) . . . . ?
C85B C82 C84B F59B 144.2(12) . . . . ?
C85B C82 O23B Al2 167.7(10) . . . . ?
O24B Al2 O22 C77 -48.9(6) . . . . ?
O24B Al2 O23B C82 -142.2(9) . . . . ?
O24B C86 C88B F69B 24.0(10) . . . . ?
O24B C86 C88B F67 -99.4(7) . . . . ?
O24B C86 C88B F68B 151.5(8) . . . . ?
O24B C86 C87B F64B -49.9(16) . . . . ?
O24B C86 C87B F66 59.1(14) . . . . ?
O24B C86 C87B F65B -167.7(13) . . . . ?
O24B C86 C89B F1 47.9(9) . . . . ?
O24B C86 C89B F2 -72.4(9) . . . . ?
O24B C86 C89B F3 165.3(7) . . . . ?
O23B Al2 O22 C77 53.3(6) . . . . ?
O23B Al2 O24B C86 151.2(12) . . . . ?
O23B C82 C83 F57 -88.9(4) . . . . ?
O23B C82 C83 F56 28.1(5) . . . . ?
O23B C82 C83 F55 150.5(4) . . . . ?
O23B C82 C84B F58B 159.7(10) . . . . ?
O23B C82 C84B F60B -77.9(14) . . . . ?
O23B C82 C84B F59B 36.1(18) . . . . ?
O23B C82 C85B F61B 178.1(10) . . . . ?
O23B C82 C85B F62B 55.2(10) . . . . ?
O23B C82 C85B F63B -61.0(9) . . . . ?
F5B C59B C57B O17 17(2) . . . . ?
F5B C59B C57B C58B -84(2) . . . . ?
F5B C59B C57B C60B 158.7(16) . . . . ?
F4B C59B C57B O17 150(2) . . . . ?
F4B C59B C57B C58B 49(3) . . . . ?
F4B C59B C57B C60B -68(3) . . . . ?
C59A C57A C58A F1A -73.1(7) . . . . ?
C59A C57A C58A F3A 46.1(7) . . . . ?
C59A C57A C58A F2A 164.1(6) . . . . ?
C59A C57A C60A F7A -73.8(7) . . . . ?
C59A C57A C60A F8A 165.5(5) . . . . ?
C59A C57A C60A F9A 44.7(8) . . . . ?
C59A C57A O17 Al1 30.8(12) . . . . ?
F6 C59B C57B O17 -86.5(17) . . . . ?
F6 C59B C57B C58B 173.1(14) . . . . ?
F6 C59B C57B C60B 55.4(17) . . . . ?
F7B C60B C57B O17 56.7(15) . . . . ?
F7B C60B C57B C58B 166.3(12) . . . . ?
F7B C60B C57B C59B -74.7(15) . . . . ?
F9B C60B C57B O17 174.3(13) . . . . ?
F9B C60B C57B C58B -76.0(12) . . . . ?
F9B C60B C57B C59B 43.0(15) . . . . ?
O20A Al1 O18 C61A -43.0(10) . . . . ?
O20A Al1 O19 C65 -96.5(10) . . . . ?
O20A Al1 O17 C57A -150.3(11) . . . . ?
O20A C69A C70A F30A -87.0(15) . . . . ?
O20A C69A C70A F28A 148.5(18) . . . . ?
O20A C69A C70A F29A 28.4(17) . . . . ?
O20A C69A C72A F35A 44.3(18) . . . . ?
O20A C69A C72A F36A -71.1(15) . . . . ?
O20A C69A C72A F34A 164.8(13) . . . . ?
O20A C69A C71A F33A -69.0(19) . . . . ?
O20A C69A C71A F31A 171.4(16) . . . . ?
O20A C69A C71A F32A 50(2) . . . . ?
C70A C69A C72A F35A 164.8(17) . . . . ?
C70A C69A C72A F36A 49(2) . . . . ?
C70A C69A C72A F34A -74.8(17) . . . . ?
C70A C69A C71A F33A 163.9(13) . . . . ?
C70A C69A C71A F31A 44.3(19) . . . . ?
C70A C69A C71A F32A -77(2) . . . . ?
C72A C69A C70A F30A 158.3(13) . . . . ?
C72A C69A C70A F28A 34(2) . . . . ?
C72A C69A C70A F29A -86(2) . . . . ?
C72A C69A C71A F33A 46(2) . . . . ?
C72A C69A C71A F31A -73.1(18) . . . . ?
C72A C69A C71A F32A 165.4(17) . . . . ?
C71A C69A C70A F30A 41(2) . . . . ?
C71A C69A C70A F28A -83.2(19) . . . . ?
C71A C69A C70A F29A 156.7(15) . . . . ?
C71A C69A C72A F35A -78(2) . . . . ?
C71A C69A C72A F36A 166.4(14) . . . . ?
C71A C69A C72A F34A 42(2) . . . . ?
O20B Al1 O18 C61B -52.3(18) . . . . ?
O20B Al1 O19 C65 -112.7(6) . . . . ?
O20B Al1 O17 C57B -122(2) . . . . ?
O20B C69B C70B F30B -49.0(18) . . . . ?
O20B C69B C70B F28B -169.7(13) . . . . ?
O20B C69B C70B F29B 68.3(17) . . . . ?
O20B C69B C72B F34B 69.7(18) . . . . ?
O20B C69B C72B F35B -49.7(17) . . . . ?
O20B C69B C72B F36B -169.5(13) . . . . ?
O20B C69B C71B F32B -44(2) . . . . ?
O20B C69B C71B F33B -162.5(15) . . . . ?
O20B C69B C71B F31B 74.8(18) . . . . ?
C70B C69B C72B F34B -165.3(15) . . . . ?
C70B C69B C72B F35B 75(2) . . . . ?
C70B C69B C72B F36B -44(2) . . . . ?
C70B C69B C71B F32B -169.3(19) . . . . ?
C70B C69B C71B F33B 72(2) . . . . ?
C70B C69B C71B F31B -51(2) . . . . ?
C72B C69B C70B F30B -171.2(16) . . . . ?
C72B C69B C70B F28B 68(2) . . . . ?
C72B C69B C70B F29B -54(2) . . . . ?
C72B C69B C71B F32B 75(2) . . . . ?
C72B C69B C71B F33B -44(2) . . . . ?
C72B C69B C71B F31B -166.2(16) . . . . ?
C71B C69B C70B F30B 72(2) . . . . ?
C71B C69B C70B F28B -48(2) . . . . ?
C71B C69B C70B F29B -170.5(15) . . . . ?
C71B C69B C72B F34B -48(2) . . . . ?
C71B C69B C72B F35B -167.0(16) . . . . ?
C71B C69B C72B F36B 73(2) . . . . ?
F8B C60B C57B O17 -64.1(15) . . . . ?
F8B C60B C57B C58B 45.6(13) . . . . ?
F8B C60B C57B C59B 164.6(14) . . . . ?
O1 Al1 O19 C65 -92.2(11) . . . . ?
O1 C69C C71C F33C -50(2) . . . . ?
O1 C69C C71C F31C -168.6(13) . . . . ?
O1 C69C C71C F32C 73.0(17) . . . . ?
O1 C69C C70C F28C 84.3(16) . . . . ?
O1 C69C C70C F29C -37.1(19) . . . . ?
O1 C69C C70C F30C -157.4(16) . . . . ?
O1 C69C C72C F36C -43(2) . . . . ?
O1 C69C C72C F34C -158.5(17) . . . . ?
O1 C69C C72C F35C 81(2) . . . . ?
C71C C69C C70C F28C -160.6(16) . . . . ?
C71C C69C C70C F29C 78(3) . . . . ?
C71C C69C C70C F30C -42(2) . . . . ?
C71C C69C C72C F36C -162.2(19) . . . . ?
C71C C69C C72C F34C 82(2) . . . . ?
C71C C69C C72C F35C -38(3) . . . . ?
C70C C69C C71C F33C -163(2) . . . . ?
C70C C69C C71C F31C 78(2) . . . . ?
C70C C69C C71C F32C -41(3) . . . . ?
C70C C69C C72C F36C 75(3) . . . . ?
C70C C69C C72C F34C -40(3) . . . . ?
C70C C69C C72C F35C -160.3(18) . . . . ?
C72C C69C C71C F33C 74(3) . . . . ?
C72C C69C C71C F31C -45(2) . . . . ?
C72C C69C C71C F32C -163.7(16) . . . . ?
C72C C69C C70C F28C -39(3) . . . . ?
C72C C69C C70C F29C -161(2) . . . . ?
C72C C69C C70C F30C 79(2) . . . . ?

_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 1.236
_oxdiff_exptl_absorpt_empirical_full_min 0.752
_vrf_PLAT910_psh404_mo_mp_abs    
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         16 Note  
RESPONSE: Due to the large unit cell some reflections might be affected by 
the beamstop. 
;
