# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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. 
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data_test2abs_twin1_hklf4
_database_code_depnum_ccdc_archive 'CCDC 2330295'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-02-01 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2018-03-19
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.03.09 svn.r3491 for OlexSys, GUI svn.r5480)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C28 H20 As2 Cl2 Cu2 Mo4 O8 Sb2)'
_chemical_formula_sum            'C56 H40 As4 Cl4 Cu4 Mo8 O16 Sb4'
_chemical_formula_weight         2919.04
_chemical_melting_point          ?
_chemical_oxdiff_formula         C56H40As4Cl4Cu4Mo8O16Sb
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'
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'
Cu Cu 0.3201 1.2651 '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'
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      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                   15.0550(6)
_cell_length_b                   15.1827(9)
_cell_length_c                   17.1422(4)
_cell_angle_alpha                89.358(3)
_cell_angle_beta                 89.116(3)
_cell_angle_gamma                69.160(4)
_cell_volume                     3661.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7884
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      31.6580
_cell_measurement_theta_min      4.9790
_shelx_estimated_absorpt_T_max   0.628
_shelx_estimated_absorpt_T_min   0.514
_exptl_absorpt_coefficient_mu    5.898
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.631
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.648
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-12 -18 -10 0.0482
8 19 11 0.0673
2 10 -21 0.0508
19 -1 -5 0.0494
13 -8 11 0.0453
1 -10 20 0.0498
-18 -2 11 0.0426
5 5 23 0.0558
-10 5 18 0.0452
15 3 17 0.0518
0 -5 -23 0.0505
5 -5 -22 0.0470
2 20 -5 0.0638
16 18 -7 0.0682
-8 -21 6 0.0590
-20 -10 6 0.0423
-11 10 -13 0.0464
0 15 -16 0.0485
-18 3 0 0.0350

_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.087
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
-12.3614 -18.3452 -10.4964 0.2291 0.9599 0.1614
8.3243 18.9244 11.3777 -0.2325 -0.9709 0.0573
1.7472 9.9650 -21.1708 0.9725 -0.2327 -0.0080
19.0330 -0.7293 -5.2671 0.0885 -0.0235 -0.9958
13.2533 -7.7982 11.3662 -0.6392 0.1512 -0.7541
1.3924 -10.1137 20.3606 -0.9606 0.2295 -0.1566
-17.9864 -2.0229 11.0581 -0.3638 0.0798 0.9215
5.0415 4.9956 23.0223 -0.8736 -0.4666 -0.0016
-9.9728 4.9887 18.0589 -0.5893 -0.3344 0.7147
15.0349 3.0034 16.9832 -0.7198 -0.3779 -0.5790
-0.0397 -4.9922 -23.0364 0.8452 0.4387 -0.2474
4.9639 -4.9895 -22.0493 0.7769 0.4011 -0.4903
1.9869 20.0358 -4.9665 0.4697 -0.8246 0.2945
15.9888 18.0437 -7.0124 0.4415 -0.7971 -0.4575
-7.9870 -21.0422 5.9822 -0.4895 0.8915 -0.0107
-19.9940 -10.0333 6.0404 -0.2661 0.4843 0.8205
-11.0296 10.0168 -12.9611 0.7211 -0.2435 0.6804
-0.0322 15.0341 -15.9841 0.8485 -0.4912 0.2203
-18.0072 2.9923 0.0572 0.1446 -0.0289 0.9602

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0052
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26111
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.486
_diffrn_reflns_theta_min         3.114
_diffrn_ambient_temperature      123(1)
_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 0.896
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -93.00  11.00   0.25  120.00    --  -18.71 -57.00-180.00  416
  2  ω    -97.00  15.00   0.25  120.00    --  -18.71 -77.00  60.00  448
  3  ω   -100.00  28.00   0.25  120.00    --  -18.71 -19.00-120.00  512
  4  ω     53.00 108.00   0.25  120.00    --   19.49-178.00 -30.00  220
  5  ω     57.00  70.00   0.25  120.00    --   19.49 178.00-150.00   52
;
_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      -0.0058051000
_diffrn_orient_matrix_UB_12      0.0141637000
_diffrn_orient_matrix_UB_13      -0.0397485000
_diffrn_orient_matrix_UB_21      -0.0055725000
_diffrn_orient_matrix_UB_22      -0.0430133000
_diffrn_orient_matrix_UB_23      -0.0097128000
_diffrn_orient_matrix_UB_31      -0.0497822000
_diffrn_orient_matrix_UB_32      0.0211790000
_diffrn_orient_matrix_UB_33      0.0062359000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25134
_reflns_number_total             26111
_reflns_special_details          
;
 _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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.730
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.371
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.262
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     942
_refine_ls_number_reflns         26111
_refine_ls_number_restraints     144
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0717
_refine_ls_restrained_S_all      1.259
_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)+(0.0184P)²+143.1096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1727
_refine_ls_wR_factor_ref         0.1753
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7764(11)
 0.2236(11)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Uiso/Uaniso restraints and constraints
As3A \\sim Sb3B \\sim Sb3A \\sim As3B: within 2.8A with sigma of 0.001 and
sigma for terminal atoms of 0.001
As2B \\sim Sb2A \\sim As2A \\sim Sb2B: within 2.8A with sigma of 0.001 and
sigma for terminal atoms of 0.001
Sb1A \\sim As1B \\sim As1A \\sim Sb1B: within 2.8A with sigma of 0.001 and
sigma for terminal atoms of 0.001
As4A \\sim Sb4B \\sim Sb4A \\sim As4B: within 2.8A with sigma of 0.001 and
sigma for terminal atoms of 0.001
4. Others
 Sof(Sb1B)=Sof(As1B)=1-FVAR(1)
 Sof(As1A)=Sof(Sb1A)=FVAR(1)
 Sof(Sb2B)=Sof(As2B)=1-FVAR(2)
 Sof(As2A)=Sof(Sb2A)=FVAR(2)
 Sof(As3B)=Sof(Sb3B)=1-FVAR(3)
 Sof(Sb3A)=Sof(As3A)=FVAR(3)
 Sof(Sb4B)=Sof(As4B)=1-FVAR(4)
 Sof(As4A)=Sof(Sb4A)=FVAR(4)
5.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C10(H10), C53(H53), C32(H32), C19(H19), C35(H35), C48(H48),
 C54(H54), C28(H28), C7(H7), C3(H3), C39(H39), C52(H52), C11(H11), C42(H42),
 C33(H33), C55(H55), C27(H27), C49(H49), C21(H21), C24(H24), C20(H20), C12(H12),
  C14(H14), C4(H4), C38(H38), C31(H31), C40(H40), C5(H5), C13(H13), C45(H45),
 C34(H34), C26(H26), C56(H56), C17(H17), C41(H41), C6(H6), C46(H46), C47(H47),
 C25(H25)
;
_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
As1A As 0.8965(9) -0.2237(11) 0.2663(8) 0.0184(7) Uani 0.409(7) 1 d . U P . .
Mo8 Mo 0.05285(6) 0.63794(6) 0.59748(5) 0.01511(16) Uani 1 1 d . . . . .
Mo4 Mo 0.50345(6) 0.30484(6) 0.54657(5) 0.01519(16) Uani 1 1 d . . . . .
As2A As 0.5280(12) 0.1217(9) 0.5076(6) 0.0203(7) Uani 0.471(8) 1 d . U P . .
Mo5 Mo 0.38931(6) 0.29698(6) 1.15647(5) 0.01582(16) Uani 1 1 d . . . . .
Mo2 Mo 0.88994(6) -0.20137(6) 0.10481(5) 0.01645(16) Uani 1 1 d . . . . .
Sb3A Sb 0.42182(18) 0.4245(3) 1.0552(3) 0.0205(4) Uani 0.566(8) 1 d . U P . .
As4A As 0.1775(8) 0.6683(8) 0.7003(14) 0.0215(5) Uani 0.465(8) 1 d . U P . .
Mo7 Mo 0.00353(6) 0.80731(6) 0.71045(5) 0.01584(16) Uani 1 1 d . . . . .
Mo3 Mo 0.55331(6) 0.13603(6) 0.66212(5) 0.01651(16) Uani 1 1 d . . . . .
Mo1 Mo 1.06759(6) -0.25212(6) 0.20886(5) 0.01512(16) Uani 1 1 d . . . . .
Sb4A Sb 0.0301(8) 0.6326(13) 0.7566(6) 0.0217(4) Uani 0.465(8) 1 d . U P . .
As3A As 0.3882(15) 0.2733(7) 0.9911(5) 0.0200(5) Uani 0.566(8) 1 d . U P . .
Sb2A Sb 0.6755(5) 0.1584(11) 0.5559(9) 0.0202(6) Uani 0.471(8) 1 d . U P . .
Sb1A Sb 0.9141(5) -0.0730(5) 0.2045(5) 0.0184(6) Uani 0.409(7) 1 d . U P . .
Mo6 Mo 0.56371(7) 0.25032(8) 1.04600(5) 0.02036(18) Uani 1 1 d . . . . .
Cu3 Cu 0.31302(12) 0.43714(12) 0.93806(9) 0.0282(3) Uani 1 1 d . . . . .
Cu1 Cu 0.81658(12) -0.06902(12) 0.32392(9) 0.0306(4) Uani 1 1 d . . . . .
Cu4 Cu 0.19188(13) 0.55830(12) 0.81489(9) 0.0322(4) Uani 1 1 d . . . . .
Cu2 Cu 0.69000(13) 0.05456(12) 0.44186(9) 0.0319(4) Uani 1 1 d . . . . .
Cl3 Cl 0.1845(2) 0.5761(3) 0.94820(18) 0.0356(8) Uani 1 1 d . . . . .
Cl2 Cl 0.6843(3) 0.0668(3) 0.30821(18) 0.0433(10) Uani 1 1 d . . . . .
Cl1 Cl 0.8172(3) -0.0837(2) 0.45764(18) 0.0399(9) Uani 1 1 d . . . . .
Cl4 Cl 0.3204(3) 0.4210(3) 0.80432(19) 0.0497(12) Uani 1 1 d . . . . .
O15 O -0.1500(7) 0.6311(8) 0.6279(7) 0.039(2) Uani 1 1 d . . . . .
C18 C 0.4951(10) 0.2002(9) 0.7835(7) 0.028(3) Uani 1 1 d . . . . .
H18 H 0.429144 0.231859 0.793096 0.034 Uiso 1 1 calc R . . . .
O1 O 1.1025(7) -0.1515(7) 0.3572(5) 0.030(2) Uani 1 1 d . . . . .
O8 O 0.6397(8) 0.3822(8) 0.6372(6) 0.039(2) Uani 1 1 d . . . . .
O14 O 0.1168(8) 0.8370(8) 0.8537(6) 0.037(2) Uani 1 1 d . . . . .
O10 O 0.1709(7) 0.3812(7) 1.1222(6) 0.032(2) Uani 1 1 d . . . . .
C10 C 0.9425(10) -0.2577(10) -0.0194(7) 0.031(3) Uani 1 1 d . . . . .
H10 H 0.968936 -0.323211 -0.030358 0.037 Uiso 1 1 calc R . . . .
O16 O 0.1333(7) 0.4213(7) 0.6332(6) 0.034(2) Uani 1 1 d . . . . .
C53 C 0.1472(9) 0.5971(9) 0.4865(7) 0.027(2) Uani 1 1 d . . . . .
H53 H 0.204294 0.543581 0.487149 0.033 Uiso 1 1 calc R . . . .
O7 O 0.6093(7) 0.3330(8) 0.3949(5) 0.034(2) Uani 1 1 d . . . . .
O2 O 1.1336(7) -0.1130(7) 0.1082(5) 0.0304(19) Uani 1 1 d . . . . .
O12 O 0.6021(9) 0.3513(9) 0.8961(6) 0.045(3) Uani 1 1 d . . . . .
O9 O 0.3789(8) 0.0988(7) 1.1221(6) 0.034(2) Uani 1 1 d . . . . .
C2 C 1.1061(8) -0.1625(9) 0.1440(6) 0.023(2) Uani 1 1 d . . . . .
O11 O 0.6352(11) 0.3773(12) 1.1515(8) 0.067(4) Uani 1 1 d . . . . .
C32 C 0.3545(9) 0.2863(10) 1.2869(7) 0.027(2) Uani 1 1 d . . . . .
H32 H 0.305101 0.264292 1.302197 0.032 Uiso 1 1 calc R . . . .
C43 C 0.0856(10) 0.8523(9) 0.6398(7) 0.027(2) Uani 1 1 d . . . . .
C50 C -0.0756(9) 0.6348(8) 0.6208(7) 0.026(2) Uani 1 1 d . . . . .
C19 C 0.5596(9) 0.2435(8) 0.7583(6) 0.023(2) Uani 1 1 d . . . . .
H19 H 0.544282 0.308670 0.747452 0.028 Uiso 1 1 calc R . . . .
C51 C 0.1029(8) 0.5022(9) 0.6229(6) 0.023(2) Uani 1 1 d . . . . .
C15 C 0.5983(8) -0.0017(8) 0.6398(8) 0.024(2) Uani 1 1 d . . . . .
C22 C 0.5741(9) 0.3166(9) 0.4501(7) 0.024(2) Uani 1 1 d . . . . .
C1 C 1.0864(8) -0.1859(8) 0.3030(7) 0.021(2) Uani 1 1 d . . . . .
O3 O 0.6738(7) -0.1273(8) 0.1491(6) 0.040(2) Uani 1 1 d . . . . .
C29 C 0.3846(8) 0.1716(8) 1.1313(6) 0.021(2) Uani 1 1 d . . . . .
O4 O 0.8989(10) -0.4093(8) 0.1293(8) 0.054(3) Uani 1 1 d . . . . .
O13 O 0.1263(9) 0.8857(9) 0.5989(7) 0.046(3) Uani 1 1 d . . . . .
O5 O 0.6268(7) -0.0822(7) 0.6316(7) 0.040(2) Uani 1 1 d . . . . .
C35 C 0.5018(9) 0.2905(10) 1.2554(7) 0.026(2) Uani 1 1 d . . . . .
H35 H 0.568130 0.272170 1.245434 0.031 Uiso 1 1 calc R . . . .
C37 C 0.5842(12) 0.3190(11) 0.9519(8) 0.035(3) Uani 1 1 d . . . . .
C48 C -0.1537(9) 0.8538(9) 0.6615(7) 0.026(2) Uani 1 1 d . . . . .
H48 H -0.170859 0.822969 0.619526 0.031 Uiso 1 1 calc R . . . .
C54 C 0.1395(9) 0.6900(10) 0.5035(7) 0.028(3) Uani 1 1 d . . . . .
H54 H 0.190425 0.709757 0.516983 0.033 Uiso 1 1 calc R . . . .
C28 C 0.3692(9) 0.3903(10) 0.4782(7) 0.031(3) Uani 1 1 d . . . . .
H28 H 0.369894 0.387200 0.422846 0.037 Uiso 1 1 calc R . . . .
C36 C 0.6058(12) 0.3351(13) 1.1129(8) 0.039(4) Uani 1 1 d . . . . .
C9 C 0.8952(9) -0.3334(9) 0.1246(8) 0.027(2) Uani 1 1 d . . . . .
C30 C 0.2529(8) 0.3520(9) 1.1314(7) 0.024(2) Uani 1 1 d . . . . .
C7 C 1.0965(9) -0.4143(8) 0.2303(8) 0.027(2) Uani 1 1 d . . . . .
H7 H 1.049205 -0.436182 0.251302 0.032 Uiso 1 1 calc R . . . .
C3 C 1.1612(10) -0.3876(9) 0.2745(7) 0.030(3) Uani 1 1 d . . . . .
H3 H 1.165350 -0.388534 0.329781 0.036 Uiso 1 1 calc R . . . .
C39 C 0.5942(11) 0.0916(9) 1.0200(9) 0.039(3) Uani 1 1 d . . . . .
H39 H 0.547152 0.071945 0.997471 0.047 Uiso 1 1 calc R . . . .
C52 C 0.0570(10) 0.5964(10) 0.4686(7) 0.030(3) Uani 1 1 d . . . . .
H52 H 0.042014 0.542868 0.455021 0.036 Uiso 1 1 calc R . . . .
O6 O 0.3422(8) 0.1479(9) 0.6440(8) 0.052(3) Uani 1 1 d . . . . .
C11 C 0.9936(9) -0.2004(10) 0.0018(7) 0.029(3) Uani 1 1 d . . . . .
H11 H 1.060244 -0.221347 0.009808 0.035 Uiso 1 1 calc R . . . .
C44 C 0.0773(9) 0.8225(8) 0.8007(7) 0.024(2) Uani 1 1 d . . . . .
C42 C 0.7162(10) 0.1451(13) 1.0326(7) 0.039(4) Uani 1 1 d . . . . .
H42 H 0.766583 0.167209 1.020785 0.047 Uiso 1 1 calc R . . . .
C23 C 0.5925(8) 0.3484(8) 0.6056(6) 0.020(2) Uani 1 1 d . . . . .
C33 C 0.3440(10) 0.3805(9) 1.2706(7) 0.030(3) Uani 1 1 d . . . . .
H33 H 0.285985 0.432970 1.271945 0.036 Uiso 1 1 calc R . . . .
C55 C 0.0445(9) 0.7480(9) 0.4971(7) 0.026(2) Uani 1 1 d . . . . .
H55 H 0.019360 0.813990 0.506209 0.031 Uiso 1 1 calc R . . . .
C27 C 0.3406(8) 0.3318(10) 0.5305(7) 0.030(3) Uani 1 1 d . . . . .
H27 H 0.317709 0.283658 0.515723 0.035 Uiso 1 1 calc R . . . .
C8 C 0.7544(9) -0.1550(10) 0.1364(8) 0.028(3) Uani 1 1 d . . . . .
C49 C -0.1201(9) 0.9326(8) 0.6554(7) 0.027(2) Uani 1 1 d . . . . .
H49 H -0.110915 0.962838 0.608827 0.033 Uiso 1 1 calc R . . . .
C21 C 0.6428(9) 0.0852(9) 0.7722(7) 0.025(2) Uani 1 1 d . . . . .
H21 H 0.693563 0.025988 0.772377 0.030 Uiso 1 1 calc R . . . .
C24 C 0.3963(9) 0.4534(9) 0.5228(7) 0.028(3) Uani 1 1 d . . . . .
H24 H 0.418523 0.500604 0.503081 0.033 Uiso 1 1 calc R . . . .
C20 C 0.6513(10) 0.1727(10) 0.7521(7) 0.028(3) Uani 1 1 d . . . . .
H20 H 0.708243 0.182252 0.737143 0.034 Uiso 1 1 calc R . . . .
C12 C 0.9311(10) -0.1084(9) 0.0093(7) 0.028(3) Uani 1 1 d . . . . .
H12 H 0.947859 -0.055243 0.020656 0.033 Uiso 1 1 calc R . . . .
C14 C 0.8436(10) -0.2005(12) -0.0217(8) 0.036(3) Uani 1 1 d . . . . .
H14 H 0.792437 -0.220675 -0.033271 0.043 Uiso 1 1 calc R . . . .
C4 C 1.2204(8) -0.3583(9) 0.2195(7) 0.023(2) Uani 1 1 d . . . . .
H4 H 1.270293 -0.336807 0.232449 0.028 Uiso 1 1 calc R . . . .
C16 C 0.4197(9) 0.1429(10) 0.6474(8) 0.029(3) Uani 1 1 d . . . . .
C38 C 0.6598(9) 0.1204(10) 0.9776(8) 0.034(3) Uani 1 1 d . . . . .
H38 H 0.665373 0.122794 0.922440 0.041 Uiso 1 1 calc R . . . .
C31 C 0.4523(8) 0.2297(9) 1.2764(6) 0.022(2) Uani 1 1 d . . . . .
H31 H 0.479429 0.163169 1.282476 0.027 Uiso 1 1 calc R . . . .
C40 C 0.6083(10) 0.0962(10) 1.1014(9) 0.034(3) Uani 1 1 d . . . . .
H40 H 0.574107 0.079433 1.142458 0.041 Uiso 1 1 calc R . . . .
C5 C 1.1898(8) -0.3678(8) 0.1426(7) 0.025(2) Uani 1 1 d . . . . .
H5 H 1.215356 -0.353275 0.095243 0.030 Uiso 1 1 calc R . . . .
C13 C 0.8374(10) -0.1073(11) -0.0032(7) 0.034(3) Uani 1 1 d . . . . .
H13 H 0.780558 -0.053707 0.000327 0.041 Uiso 1 1 calc R . . . .
C45 C -0.1036(9) 0.9556(9) 0.7337(7) 0.027(2) Uani 1 1 d . . . . .
H45 H -0.081731 1.004528 0.747994 0.033 Uiso 1 1 calc R . . . .
C34 C 0.4342(11) 0.3836(10) 1.2518(7) 0.032(3) Uani 1 1 d . . . . .
H34 H 0.447567 0.438710 1.238989 0.038 Uiso 1 1 calc R . . . .
C26 C 0.3516(8) 0.3566(10) 0.6077(7) 0.028(3) Uani 1 1 d . . . . .
H26 H 0.339544 0.327385 0.653971 0.034 Uiso 1 1 calc R . . . .
C56 C -0.0086(9) 0.6915(9) 0.4747(7) 0.026(2) Uani 1 1 d . . . . .
H56 H -0.074975 0.712749 0.465422 0.031 Uiso 1 1 calc R . . . .
C17 C 0.5456(10) 0.1000(9) 0.7922(7) 0.030(3) Uani 1 1 d . . . . .
H17 H 0.519857 0.053677 0.807880 0.036 Uiso 1 1 calc R . . . .
C41 C 0.6839(9) 0.1310(13) 1.1093(8) 0.039(4) Uani 1 1 d . . . . .
H41 H 0.708671 0.142878 1.157041 0.047 Uiso 1 1 calc R . . . .
C6 C 1.1132(9) -0.4034(9) 0.1499(8) 0.028(3) Uani 1 1 d . . . . .
H6 H 1.079688 -0.417132 0.108003 0.034 Uiso 1 1 calc R . . . .
C46 C -0.1255(9) 0.8930(9) 0.7862(7) 0.028(3) Uani 1 1 d . . . . .
H46 H -0.120480 0.892325 0.841364 0.034 Uiso 1 1 calc R . . . .
C47 C -0.1560(9) 0.8321(9) 0.7417(7) 0.027(2) Uani 1 1 d . . . . .
H47 H -0.175349 0.783455 0.762593 0.032 Uiso 1 1 calc R . . . .
C25 C 0.3842(8) 0.4337(8) 0.6033(7) 0.026(2) Uani 1 1 d . . . . .
H25 H 0.395981 0.466588 0.646408 0.031 Uiso 1 1 calc R . . . .
Sb1B Sb 0.8914(3) -0.2352(4) 0.2661(3) 0.0183(6) Uani 0.591(7) 1 d . U P . .
As1B As 0.9175(6) -0.0874(6) 0.2054(5) 0.0182(7) Uani 0.591(7) 1 d . U P . .
Sb2B Sb 0.5261(7) 0.1307(5) 0.4986(3) 0.0207(6) Uani 0.529(8) 1 d . U P . .
As2B As 0.6827(8) 0.1541(15) 0.5590(13) 0.0200(6) Uani 0.529(8) 1 d . U P . .
As3B As 0.4043(5) 0.4254(7) 1.0568(8) 0.0205(6) Uani 0.434(8) 1 d . U P . .
Sb3B Sb 0.3908(13) 0.2782(5) 0.9975(4) 0.0204(5) Uani 0.434(8) 1 d . U P . .
Sb4B Sb 0.1806(4) 0.6582(4) 0.6955(8) 0.0215(4) Uani 0.535(8) 1 d . U P . .
As4B As 0.0296(10) 0.6298(18) 0.7637(9) 0.0212(5) Uani 0.535(8) 1 d . U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As1A Mo2 2.784(14) . ?
As1A Mo1 2.632(12) . ?
As1A Sb1A 2.607(9) . ?
As1A Cu1 2.439(15) . ?
As1A As1B 2.42(2) . ?
Mo8 As4A 2.753(15) . ?
Mo8 Mo7 3.1021(12) . ?
Mo8 Sb4A 2.748(11) . ?
Mo8 C53 2.310(11) . ?
Mo8 C50 1.985(13) . ?
Mo8 C51 1.972(13) . ?
Mo8 C54 2.358(12) . ?
Mo8 C52 2.297(12) . ?
Mo8 C55 2.358(12) . ?
Mo8 C56 2.331(12) . ?
Mo8 Sb4B 2.673(8) . ?
Mo8 As4B 2.872(15) . ?
Mo4 As2A 2.760(11) . ?
Mo4 Mo3 3.1015(13) . ?
Mo4 Sb2A 2.754(10) . ?
Mo4 C22 1.994(12) . ?
Mo4 C28 2.305(12) . ?
Mo4 C23 1.986(11) . ?
Mo4 C27 2.358(12) . ?
Mo4 C24 2.295(12) . ?
Mo4 C26 2.369(12) . ?
Mo4 C25 2.342(10) . ?
Mo4 Sb2B 2.680(6) . ?
Mo4 As2B 2.860(16) . ?
As2A Mo3 2.705(12) . ?
As2A Sb2A 2.62(2) . ?
As2A Cu2 2.536(14) . ?
As2A As2B 2.708(17) . ?
Mo5 Sb3A 2.752(4) . ?
Mo5 As3A 2.862(8) . ?
Mo5 Mo6 3.0878(13) . ?
Mo5 C32 2.305(11) . ?
Mo5 C29 1.983(12) . ?
Mo5 C35 2.391(11) . ?
Mo5 C30 1.974(12) . ?
Mo5 C33 2.302(11) . ?
Mo5 C31 2.344(11) . ?
Mo5 C34 2.361(13) . ?
Mo5 As3B 2.645(8) . ?
Mo5 Sb3B 2.742(6) . ?
Mo2 Mo1 3.0948(13) . ?
Mo2 Sb1A 2.730(9) . ?
Mo2 C10 2.324(11) . ?
Mo2 C9 2.002(13) . ?
Mo2 C11 2.342(11) . ?
Mo2 C8 1.976(12) . ?
Mo2 C12 2.366(12) . ?
Mo2 C14 2.286(13) . ?
Mo2 C13 2.296(13) . ?
Mo2 Sb1B 2.805(6) . ?
Mo2 As1B 2.597(10) . ?
Sb3A As3A 2.764(18) . ?
Sb3A Mo6 2.750(4) . ?
Sb3A Cu3 2.573(6) . ?
Sb3A Sb3B 2.633(7) . ?
As4A Mo7 2.721(10) . ?
As4A Sb4A 2.63(2) . ?
As4A Cu4 2.53(2) . ?
As4A As4B 2.70(2) . ?
Mo7 Sb4A 2.651(16) . ?
Mo7 C43 1.999(13) . ?
Mo7 C48 2.381(11) . ?
Mo7 C44 1.982(12) . ?
Mo7 C49 2.338(12) . ?
Mo7 C45 2.290(12) . ?
Mo7 C46 2.305(11) . ?
Mo7 C47 2.349(13) . ?
Mo7 Sb4B 2.827(5) . ?
Mo7 As4B 2.73(2) . ?
Mo3 Sb2A 2.673(15) . ?
Mo3 C18 2.329(11) . ?
Mo3 C19 2.359(12) . ?
Mo3 C15 1.994(11) . ?
Mo3 C21 2.298(11) . ?
Mo3 C20 2.354(12) . ?
Mo3 C16 1.997(13) . ?
Mo3 C17 2.301(12) . ?
Mo3 Sb2B 2.846(6) . ?
Mo3 As2B 2.69(2) . ?
Mo1 Sb1A 2.876(5) . ?
Mo1 C2 1.982(13) . ?
Mo1 C1 1.987(11) . ?
Mo1 C7 2.369(11) . ?
Mo1 C3 2.328(12) . ?
Mo1 C4 2.300(11) . ?
Mo1 C5 2.333(11) . ?
Mo1 C6 2.383(12) . ?
Mo1 Sb1B 2.740(4) . ?
Mo1 As1B 2.710(7) . ?
Sb4A Cu4 2.509(9) . ?
Sb4A Sb4B 2.631(13) . ?
As3A Mo6 2.72(2) . ?
As3A Cu3 2.505(10) . ?
As3A As3B 2.668(12) . ?
Sb2A Cu2 2.483(12) . ?
Sb2A Sb2B 2.637(10) . ?
Sb1A Cu1 2.489(8) . ?
Sb1A Sb1B 2.798(14) . ?
Mo6 C37 1.990(14) . ?
Mo6 C36 2.002(15) . ?
Mo6 C39 2.333(14) . ?
Mo6 C42 2.293(14) . ?
Mo6 C38 2.308(13) . ?
Mo6 C40 2.383(15) . ?
Mo6 C41 2.327(14) . ?
Mo6 As3B 2.884(8) . ?
Mo6 Sb3B 2.631(17) . ?
Cu3 Cu4 2.969(2) . ?
Cu3 Cl3 2.306(3) . ?
Cu3 Cl4 2.305(4) . ?
Cu3 As3B 2.442(14) . ?
Cu3 Sb3B 2.491(8) . ?
Cu1 Cu2 2.943(2) . ?
Cu1 Cl2 2.318(4) . ?
Cu1 Cl1 2.300(4) . ?
Cu1 Sb1B 2.573(6) . ?
Cu1 As1B 2.475(9) . ?
Cu4 Cl3 2.300(3) . ?
Cu4 Cl4 2.291(4) . ?
Cu4 Sb4B 2.505(14) . ?
Cu4 As4B 2.464(13) . ?
Cu2 Cl2 2.297(3) . ?
Cu2 Cl1 2.300(4) . ?
Cu2 Sb2B 2.509(8) . ?
Cu2 As2B 2.504(17) . ?
O15 C50 1.146(16) . ?
C18 H18 0.9500 . ?
C18 C19 1.412(18) . ?
C18 C17 1.446(18) . ?
O1 C1 1.141(14) . ?
O8 C23 1.157(14) . ?
O14 C44 1.157(15) . ?
O10 C30 1.167(15) . ?
C10 H10 0.9500 . ?
C10 C11 1.41(2) . ?
C10 C14 1.433(19) . ?
O16 C51 1.161(15) . ?
C53 H53 0.9500 . ?
C53 C54 1.406(19) . ?
C53 C52 1.40(2) . ?
O7 C22 1.144(14) . ?
O2 C2 1.147(15) . ?
O12 C37 1.141(16) . ?
O9 C29 1.151(14) . ?
O11 C36 1.125(18) . ?
C32 H32 0.9500 . ?
C32 C33 1.407(19) . ?
C32 C31 1.426(16) . ?
C43 O13 1.150(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.419(18) . ?
C15 O5 1.152(15) . ?
O3 C8 1.152(15) . ?
O4 C9 1.136(16) . ?
C35 H35 0.9500 . ?
C35 C31 1.418(18) . ?
C35 C34 1.42(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.457(18) . ?
C48 C47 1.414(17) . ?
C54 H54 0.9500 . ?
C54 C55 1.393(18) . ?
C28 H28 0.9500 . ?
C28 C27 1.42(2) . ?
C28 C24 1.40(2) . ?
C7 H7 0.9500 . ?
C7 C3 1.41(2) . ?
C7 C6 1.417(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.459(18) . ?
C39 H39 0.9500 . ?
C39 C38 1.40(2) . ?
C39 C40 1.42(2) . ?
C52 H52 0.9500 . ?
C52 C56 1.433(17) . ?
O6 C16 1.144(16) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(19) . ?
C42 H42 0.9500 . ?
C42 C38 1.42(2) . ?
C42 C41 1.434(18) . ?
C33 H33 0.9500 . ?
C33 C34 1.41(2) . ?
C55 H55 0.9500 . ?
C55 C56 1.424(19) . ?
C27 H27 0.9500 . ?
C27 C26 1.409(17) . ?
C49 H49 0.9500 . ?
C49 C45 1.438(17) . ?
C21 H21 0.9500 . ?
C21 C20 1.417(19) . ?
C21 C17 1.437(19) . ?
C24 H24 0.9500 . ?
C24 C25 1.431(17) . ?
C20 H20 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.42(2) . ?
C14 H14 0.9500 . ?
C14 C13 1.42(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.428(16) . ?
C38 H38 0.9500 . ?
C31 H31 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.42(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.441(19) . ?
C13 H13 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.419(18) . ?
C34 H34 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.423(19) . ?
C56 H56 0.9500 . ?
C17 H17 0.9500 . ?
C41 H41 0.9500 . ?
C6 H6 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.404(19) . ?
C47 H47 0.9500 . ?
C25 H25 0.9500 . ?
Sb1B As1B 2.614(6) . ?
Sb2B As2B 2.73(2) . ?
As3B Sb3B 2.54(2) . ?
Sb4B As4B 2.705(17) . ?

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
Mo1 As1A Mo2 69.6(3) . . ?
Sb1A As1A Mo2 60.7(3) . . ?
Sb1A As1A Mo1 66.6(3) . . ?
Cu1 As1A Mo2 107.7(5) . . ?
Cu1 As1A Mo1 115.1(5) . . ?
Cu1 As1A Sb1A 59.0(3) . . ?
As1B As1A Mo2 59.3(4) . . ?
As1B As1A Mo1 64.7(4) . . ?
As1B As1A Sb1A 2.2(3) . . ?
As1B As1A Cu1 61.2(4) . . ?
As4A Mo8 Mo7 54.99(19) . . ?
As4A Mo8 As4B 57.4(7) . . ?
Sb4A Mo8 As4A 57.2(4) . . ?
Sb4A Mo8 Mo7 53.5(4) . . ?
Sb4A Mo8 As4B 0.7(9) . . ?
C53 Mo8 As4A 100.8(5) . . ?
C53 Mo8 Mo7 132.8(3) . . ?
C53 Mo8 Sb4A 150.7(4) . . ?
C53 Mo8 C54 35.0(5) . . ?
C53 Mo8 C55 58.2(4) . . ?
C53 Mo8 C56 58.9(4) . . ?
C53 Mo8 Sb4B 98.9(4) . . ?
C53 Mo8 As4B 150.4(5) . . ?
C50 Mo8 As4A 127.6(6) . . ?
C50 Mo8 Mo7 87.4(3) . . ?
C50 Mo8 Sb4A 71.5(4) . . ?
C50 Mo8 C53 131.0(5) . . ?
C50 Mo8 C54 142.4(5) . . ?
C50 Mo8 C52 96.0(5) . . ?
C50 Mo8 C55 110.1(5) . . ?
C50 Mo8 C56 84.7(5) . . ?
C50 Mo8 Sb4B 129.0(4) . . ?
C50 Mo8 As4B 71.4(5) . . ?
C51 Mo8 As4A 90.3(5) . . ?
C51 Mo8 Mo7 128.4(3) . . ?
C51 Mo8 Sb4A 76.2(5) . . ?
C51 Mo8 C53 85.7(5) . . ?
C51 Mo8 C50 87.0(5) . . ?
C51 Mo8 C54 116.3(5) . . ?
C51 Mo8 C52 87.6(5) . . ?
C51 Mo8 C55 143.1(4) . . ?
C51 Mo8 C56 121.0(5) . . ?
C51 Mo8 Sb4B 87.7(4) . . ?
C51 Mo8 As4B 75.5(6) . . ?
C54 Mo8 As4A 83.7(6) . . ?
C54 Mo8 Mo7 98.2(4) . . ?
C54 Mo8 Sb4A 139.8(4) . . ?
C54 Mo8 Sb4B 83.4(4) . . ?
C54 Mo8 As4B 140.2(5) . . ?
C52 Mo8 As4A 136.2(6) . . ?
C52 Mo8 Mo7 144.1(3) . . ?
C52 Mo8 Sb4A 159.8(5) . . ?
C52 Mo8 C53 35.4(5) . . ?
C52 Mo8 C54 58.7(5) . . ?
C52 Mo8 C55 59.2(5) . . ?
C52 Mo8 C56 36.1(4) . . ?
C52 Mo8 Sb4B 134.3(4) . . ?
C52 Mo8 As4B 159.1(6) . . ?
C55 Mo8 As4A 102.7(6) . . ?
C55 Mo8 Mo7 86.0(3) . . ?
C55 Mo8 Sb4A 139.5(5) . . ?
C55 Mo8 C54 34.4(4) . . ?
C55 Mo8 Sb4B 103.9(4) . . ?
C55 Mo8 As4B 140.2(6) . . ?
C56 Mo8 As4A 137.9(6) . . ?
C56 Mo8 Mo7 109.4(3) . . ?
C56 Mo8 Sb4A 150.3(4) . . ?
C56 Mo8 C54 58.3(4) . . ?
C56 Mo8 C55 35.4(5) . . ?
C56 Mo8 Sb4B 138.8(4) . . ?
C56 Mo8 As4B 150.7(4) . . ?
Sb4B Mo8 As4A 3.1(2) . . ?
Sb4B Mo8 Mo7 58.06(9) . . ?
Sb4B Mo8 Sb4A 58.0(4) . . ?
Sb4B Mo8 As4B 58.3(3) . . ?
As4B Mo8 Mo7 54.2(5) . . ?
As2A Mo4 Mo3 54.6(3) . . ?
As2A Mo4 As2B 57.6(5) . . ?
Sb2A Mo4 As2A 56.8(4) . . ?
Sb2A Mo4 Mo3 53.9(4) . . ?
Sb2A Mo4 As2B 1.1(6) . . ?
C22 Mo4 As2A 90.0(4) . . ?
C22 Mo4 Mo3 127.9(4) . . ?
C22 Mo4 Sb2A 75.3(5) . . ?
C22 Mo4 C28 85.1(5) . . ?
C22 Mo4 C27 115.6(5) . . ?
C22 Mo4 C24 88.7(5) . . ?
C22 Mo4 C26 143.8(5) . . ?
C22 Mo4 C25 122.6(5) . . ?
C22 Mo4 Sb2B 86.8(4) . . ?
C22 Mo4 As2B 75.8(6) . . ?
C28 Mo4 As2A 102.3(5) . . ?
C28 Mo4 Mo3 134.2(4) . . ?
C28 Mo4 Sb2A 150.6(4) . . ?
C28 Mo4 C27 35.5(5) . . ?
C28 Mo4 C26 59.1(4) . . ?
C28 Mo4 C25 59.0(4) . . ?
C28 Mo4 Sb2B 99.8(4) . . ?
C28 Mo4 As2B 151.7(5) . . ?
C23 Mo4 As2A 127.1(5) . . ?
C23 Mo4 Mo3 87.1(3) . . ?
C23 Mo4 Sb2A 71.5(4) . . ?
C23 Mo4 C22 87.4(5) . . ?
C23 Mo4 C28 130.0(5) . . ?
C23 Mo4 C27 142.5(5) . . ?
C23 Mo4 C24 95.0(5) . . ?
C23 Mo4 C26 110.4(5) . . ?
C23 Mo4 C25 85.0(5) . . ?
C23 Mo4 Sb2B 129.0(4) . . ?
C23 Mo4 As2B 70.6(5) . . ?
C27 Mo4 As2A 84.3(5) . . ?
C27 Mo4 Mo3 99.1(4) . . ?
C27 Mo4 Sb2A 140.3(5) . . ?
C27 Mo4 C26 34.7(4) . . ?
C27 Mo4 Sb2B 83.6(4) . . ?
C27 Mo4 As2B 140.9(5) . . ?
C24 Mo4 As2A 137.8(5) . . ?
C24 Mo4 Mo3 143.4(3) . . ?
C24 Mo4 Sb2A 159.2(5) . . ?
C24 Mo4 C28 35.6(5) . . ?
C24 Mo4 C27 58.8(5) . . ?
C24 Mo4 C26 59.5(5) . . ?
C24 Mo4 C25 35.9(4) . . ?
C24 Mo4 Sb2B 135.4(4) . . ?
C24 Mo4 As2B 159.1(6) . . ?
C26 Mo4 As2A 102.1(5) . . ?
C26 Mo4 Mo3 85.5(3) . . ?
C26 Mo4 Sb2A 139.5(5) . . ?
C26 Mo4 Sb2B 103.4(4) . . ?
C26 Mo4 As2B 139.1(6) . . ?
C25 Mo4 As2A 137.2(4) . . ?
C25 Mo4 Mo3 108.5(3) . . ?
C25 Mo4 Sb2A 150.4(4) . . ?
C25 Mo4 C27 57.9(5) . . ?
C25 Mo4 C26 35.2(5) . . ?
C25 Mo4 Sb2B 138.2(4) . . ?
C25 Mo4 As2B 149.3(5) . . ?
Sb2B Mo4 As2A 3.9(4) . . ?
Sb2B Mo4 Mo3 58.42(13) . . ?
Sb2B Mo4 Sb2A 58.0(3) . . ?
Sb2B Mo4 As2B 58.9(4) . . ?
As2B Mo4 Mo3 53.6(5) . . ?
Mo3 As2A Mo4 69.2(3) . . ?
Mo3 As2A As2B 59.7(3) . . ?
Sb2A As2A Mo4 61.5(4) . . ?
Sb2A As2A Mo3 60.2(6) . . ?
Sb2A As2A As2B 1.7(9) . . ?
Cu2 As2A Mo4 106.2(4) . . ?
Cu2 As2A Mo3 108.4(6) . . ?
Cu2 As2A Sb2A 57.5(4) . . ?
Cu2 As2A As2B 56.9(5) . . ?
As2B As2A Mo4 63.1(5) . . ?
Sb3A Mo5 As3A 58.9(4) . . ?
Sb3A Mo5 Mo6 55.83(7) . . ?
As3A Mo5 Mo6 54.3(4) . . ?
C32 Mo5 Sb3A 138.6(4) . . ?
C32 Mo5 As3A 159.6(5) . . ?
C32 Mo5 Mo6 139.6(3) . . ?
C32 Mo5 C35 58.5(4) . . ?
C32 Mo5 C31 35.7(4) . . ?
C32 Mo5 C34 58.5(5) . . ?
C32 Mo5 As3B 138.4(5) . . ?
C32 Mo5 Sb3B 161.2(5) . . ?
C29 Mo5 Sb3A 127.6(3) . . ?
C29 Mo5 As3A 69.4(4) . . ?
C29 Mo5 Mo6 87.7(3) . . ?
C29 Mo5 C32 93.8(5) . . ?
C29 Mo5 C35 113.1(5) . . ?
C29 Mo5 C33 128.2(5) . . ?
C29 Mo5 C31 86.0(5) . . ?
C29 Mo5 C34 144.2(5) . . ?
C29 Mo5 As3B 127.1(5) . . ?
C29 Mo5 Sb3B 71.0(4) . . ?
C35 Mo5 Sb3A 100.1(3) . . ?
C35 Mo5 As3A 138.1(5) . . ?
C35 Mo5 Mo6 83.8(3) . . ?
C35 Mo5 As3B 104.1(4) . . ?
C35 Mo5 Sb3B 137.1(5) . . ?
C30 Mo5 Sb3A 88.8(4) . . ?
C30 Mo5 As3A 77.0(5) . . ?
C30 Mo5 Mo6 129.1(4) . . ?
C30 Mo5 C32 91.3(5) . . ?
C30 Mo5 C29 88.1(5) . . ?
C30 Mo5 C35 142.8(5) . . ?
C30 Mo5 C33 84.4(5) . . ?
C30 Mo5 C31 125.7(5) . . ?
C30 Mo5 C34 112.7(5) . . ?
C30 Mo5 As3B 83.7(4) . . ?
C30 Mo5 Sb3B 77.6(5) . . ?
C33 Mo5 Sb3A 103.4(4) . . ?
C33 Mo5 As3A 154.1(4) . . ?
C33 Mo5 Mo6 134.5(4) . . ?
C33 Mo5 C32 35.6(5) . . ?
C33 Mo5 C35 58.5(5) . . ?
C33 Mo5 C31 59.1(4) . . ?
C33 Mo5 C34 35.1(5) . . ?
C33 Mo5 As3B 102.8(5) . . ?
C33 Mo5 Sb3B 153.4(4) . . ?
C31 Mo5 Sb3A 134.9(3) . . ?
C31 Mo5 As3A 146.7(4) . . ?
C31 Mo5 Mo6 104.5(3) . . ?
C31 Mo5 C35 34.8(4) . . ?
C31 Mo5 C34 58.2(4) . . ?
C31 Mo5 As3B 138.9(4) . . ?
C31 Mo5 Sb3B 147.3(4) . . ?
C34 Mo5 Sb3A 83.5(4) . . ?
C34 Mo5 As3A 141.5(5) . . ?
C34 Mo5 Mo6 99.4(4) . . ?
C34 Mo5 C35 34.8(5) . . ?
C34 Mo5 As3B 85.5(5) . . ?
C34 Mo5 Sb3B 139.8(4) . . ?
As3B Mo5 Sb3A 5.1(2) . . ?
As3B Mo5 As3A 57.8(3) . . ?
As3B Mo5 Mo6 59.81(17) . . ?
As3B Mo5 Sb3B 56.2(5) . . ?
Sb3B Mo5 Sb3A 57.27(18) . . ?
Sb3B Mo5 As3A 1.7(7) . . ?
Sb3B Mo5 Mo6 53.3(4) . . ?
As1A Mo2 Mo1 52.9(2) . . ?
As1A Mo2 Sb1B 4.4(4) . . ?
Sb1A Mo2 As1A 56.4(3) . . ?
Sb1A Mo2 Mo1 58.77(13) . . ?
Sb1A Mo2 Sb1B 60.7(2) . . ?
C10 Mo2 As1A 150.7(5) . . ?
C10 Mo2 Mo1 107.1(3) . . ?
C10 Mo2 Sb1A 137.0(4) . . ?
C10 Mo2 C11 35.1(5) . . ?
C10 Mo2 C12 57.9(5) . . ?
C10 Mo2 Sb1B 148.6(4) . . ?
C10 Mo2 As1B 138.4(4) . . ?
C9 Mo2 As1A 74.5(5) . . ?
C9 Mo2 Mo1 86.2(4) . . ?
C9 Mo2 Sb1A 130.2(4) . . ?
C9 Mo2 C10 83.7(5) . . ?
C9 Mo2 C11 109.6(5) . . ?
C9 Mo2 C12 141.2(5) . . ?
C9 Mo2 C14 93.5(6) . . ?
C9 Mo2 C13 129.2(6) . . ?
C9 Mo2 Sb1B 70.4(4) . . ?
C9 Mo2 As1B 126.9(4) . . ?
C11 Mo2 As1A 138.1(4) . . ?
C11 Mo2 Mo1 85.4(3) . . ?
C11 Mo2 Sb1A 102.1(4) . . ?
C11 Mo2 C12 34.2(5) . . ?
C11 Mo2 Sb1B 140.4(3) . . ?
C11 Mo2 As1B 103.4(4) . . ?
C8 Mo2 As1A 76.7(5) . . ?
C8 Mo2 Mo1 128.8(4) . . ?
C8 Mo2 Sb1A 87.8(4) . . ?
C8 Mo2 C10 123.0(5) . . ?
C8 Mo2 C9 89.0(5) . . ?
C8 Mo2 C11 143.0(5) . . ?
C8 Mo2 C12 115.0(5) . . ?
C8 Mo2 C14 88.5(5) . . ?
C8 Mo2 C13 84.6(5) . . ?
C8 Mo2 Sb1B 75.4(4) . . ?
C8 Mo2 As1B 88.6(4) . . ?
C12 Mo2 As1A 138.1(4) . . ?
C12 Mo2 Mo1 99.3(3) . . ?
C12 Mo2 Sb1A 83.0(4) . . ?
C12 Mo2 Sb1B 142.5(3) . . ?
C12 Mo2 As1B 85.7(4) . . ?
C14 Mo2 As1A 160.9(5) . . ?
C14 Mo2 Mo1 142.7(4) . . ?
C14 Mo2 Sb1A 136.0(5) . . ?
C14 Mo2 C10 36.2(5) . . ?
C14 Mo2 C11 59.6(5) . . ?
C14 Mo2 C12 59.4(5) . . ?
C14 Mo2 C13 36.2(6) . . ?
C14 Mo2 Sb1B 157.1(4) . . ?
C14 Mo2 As1B 139.4(5) . . ?
C13 Mo2 As1A 149.8(5) . . ?
C13 Mo2 Mo1 134.7(4) . . ?
C13 Mo2 Sb1A 99.9(4) . . ?
C13 Mo2 C10 59.3(5) . . ?
C13 Mo2 C11 58.7(5) . . ?
C13 Mo2 C12 35.5(5) . . ?
C13 Mo2 Sb1B 152.1(4) . . ?
C13 Mo2 As1B 103.3(4) . . ?
Sb1B Mo2 Mo1 55.08(9) . . ?
As1B Mo2 As1A 53.4(4) . . ?
As1B Mo2 Mo1 56.04(16) . . ?
As1B Mo2 Sb1A 3.4(3) . . ?
As1B Mo2 Sb1B 57.74(19) . . ?
Mo5 Sb3A As3A 62.5(3) . . ?
Mo6 Sb3A Mo5 68.27(9) . . ?
Mo6 Sb3A As3A 59.1(3) . . ?
Cu3 Sb3A Mo5 105.91(19) . . ?
Cu3 Sb3A As3A 55.9(4) . . ?
Cu3 Sb3A Mo6 106.5(2) . . ?
Cu3 Sb3A Sb3B 57.15(17) . . ?
Sb3B Sb3A Mo5 61.16(18) . . ?
Sb3B Sb3A As3A 1.4(3) . . ?
Sb3B Sb3A Mo6 58.5(4) . . ?
Mo7 As4A Mo8 69.0(3) . . ?
Sb4A As4A Mo8 61.3(4) . . ?
Sb4A As4A Mo7 59.3(5) . . ?
Sb4A As4A As4B 2.3(4) . . ?
Cu4 As4A Mo8 107.2(5) . . ?
Cu4 As4A Mo7 107.5(7) . . ?
Cu4 As4A Sb4A 58.2(5) . . ?
Cu4 As4A As4B 56.1(6) . . ?
As4B As4A Mo8 63.5(5) . . ?
As4B As4A Mo7 60.4(4) . . ?
As4A Mo7 Mo8 56.0(3) . . ?
As4A Mo7 Sb4B 2.7(4) . . ?
As4A Mo7 As4B 59.5(4) . . ?
Sb4A Mo7 Mo8 56.4(3) . . ?
Sb4A Mo7 As4A 58.6(6) . . ?
Sb4A Mo7 Sb4B 57.3(2) . . ?
Sb4A Mo7 As4B 2.2(8) . . ?
C43 Mo7 Mo8 85.1(4) . . ?
C43 Mo7 As4A 71.9(6) . . ?
C43 Mo7 Sb4A 128.4(5) . . ?
C43 Mo7 C48 110.7(5) . . ?
C43 Mo7 C49 83.8(5) . . ?
C43 Mo7 C45 94.2(5) . . ?
C43 Mo7 C46 129.5(5) . . ?
C43 Mo7 C47 142.5(5) . . ?
C43 Mo7 Sb4B 72.6(5) . . ?
C43 Mo7 As4B 129.8(5) . . ?
C48 Mo7 Mo8 86.3(3) . . ?
C48 Mo7 As4A 142.2(4) . . ?
C48 Mo7 Sb4A 100.5(4) . . ?
C48 Mo7 Sb4B 139.6(3) . . ?
C48 Mo7 As4B 101.0(4) . . ?
C44 Mo7 Mo8 128.0(4) . . ?
C44 Mo7 As4A 73.2(5) . . ?
C44 Mo7 Sb4A 89.8(4) . . ?
C44 Mo7 C43 89.3(5) . . ?
C44 Mo7 C48 142.5(5) . . ?
C44 Mo7 C49 123.0(5) . . ?
C44 Mo7 C45 88.6(5) . . ?
C44 Mo7 C46 83.6(5) . . ?
C44 Mo7 C47 113.3(5) . . ?
C44 Mo7 Sb4B 75.7(4) . . ?
C44 Mo7 As4B 88.2(5) . . ?
C49 Mo7 Mo8 107.7(3) . . ?
C49 Mo7 As4A 151.1(6) . . ?
C49 Mo7 Sb4A 136.4(4) . . ?
C49 Mo7 C48 35.9(5) . . ?
C49 Mo7 C47 58.9(5) . . ?
C49 Mo7 Sb4B 150.2(4) . . ?
C49 Mo7 As4B 136.8(5) . . ?
C45 Mo7 Mo8 143.3(3) . . ?
C45 Mo7 As4A 156.8(4) . . ?
C45 Mo7 Sb4A 137.4(5) . . ?
C45 Mo7 C48 59.6(5) . . ?
C45 Mo7 C49 36.2(4) . . ?
C45 Mo7 C46 36.0(5) . . ?
C45 Mo7 C47 58.8(5) . . ?
C45 Mo7 Sb4B 159.3(4) . . ?
C45 Mo7 As4B 135.8(5) . . ?
C46 Mo7 Mo8 136.3(4) . . ?
C46 Mo7 As4A 148.8(6) . . ?
C46 Mo7 Sb4A 101.5(5) . . ?
C46 Mo7 C48 59.1(5) . . ?
C46 Mo7 C49 60.0(5) . . ?
C46 Mo7 C47 35.1(5) . . ?
C46 Mo7 Sb4B 149.8(4) . . ?
C46 Mo7 As4B 99.9(5) . . ?
C47 Mo7 Mo8 101.4(3) . . ?
C47 Mo7 As4A 141.6(5) . . ?
C47 Mo7 Sb4A 83.1(4) . . ?
C47 Mo7 C48 34.8(4) . . ?
C47 Mo7 Sb4B 139.9(4) . . ?
C47 Mo7 As4B 82.5(4) . . ?
Sb4B Mo7 Mo8 53.35(16) . . ?
As4B Mo7 Mo8 58.6(5) . . ?
As4B Mo7 Sb4B 58.2(5) . . ?
As2A Mo3 Mo4 56.3(2) . . ?
As2A Mo3 Sb2B 2.9(3) . . ?
Sb2A Mo3 Mo4 56.4(3) . . ?
Sb2A Mo3 As2A 58.4(5) . . ?
Sb2A Mo3 Sb2B 57.0(2) . . ?
Sb2A Mo3 As2B 2.5(7) . . ?
C18 Mo3 Mo4 105.9(3) . . ?
C18 Mo3 As2A 150.1(5) . . ?
C18 Mo3 Sb2A 135.8(4) . . ?
C18 Mo3 C19 35.1(4) . . ?
C18 Mo3 C20 58.6(5) . . ?
C18 Mo3 Sb2B 148.9(4) . . ?
C18 Mo3 As2B 135.2(5) . . ?
C19 Mo3 Mo4 86.2(3) . . ?
C19 Mo3 As2A 142.4(4) . . ?
C19 Mo3 Sb2A 100.8(4) . . ?
C19 Mo3 Sb2B 139.5(3) . . ?
C19 Mo3 As2B 100.2(5) . . ?
C15 Mo3 Mo4 129.3(4) . . ?
C15 Mo3 As2A 74.1(5) . . ?
C15 Mo3 Sb2A 90.5(5) . . ?
C15 Mo3 C18 123.5(5) . . ?
C15 Mo3 C19 141.5(5) . . ?
C15 Mo3 C21 82.6(5) . . ?
C15 Mo3 C20 111.8(5) . . ?
C15 Mo3 C16 89.3(5) . . ?
C15 Mo3 C17 88.2(5) . . ?
C15 Mo3 Sb2B 76.9(4) . . ?
C15 Mo3 As2B 89.5(6) . . ?
C21 Mo3 Mo4 137.9(3) . . ?
C21 Mo3 As2A 150.2(5) . . ?
C21 Mo3 Sb2A 104.4(4) . . ?
C21 Mo3 C18 59.4(5) . . ?
C21 Mo3 C19 59.0(4) . . ?
C21 Mo3 C20 35.5(5) . . ?
C21 Mo3 C17 36.4(5) . . ?
C21 Mo3 Sb2B 151.6(4) . . ?
C21 Mo3 As2B 102.0(5) . . ?
C20 Mo3 Mo4 102.4(3) . . ?
C20 Mo3 As2A 142.5(4) . . ?
C20 Mo3 Sb2A 84.2(4) . . ?
C20 Mo3 C19 35.1(4) . . ?
C20 Mo3 Sb2B 140.8(3) . . ?
C20 Mo3 As2B 82.5(5) . . ?
C16 Mo3 Mo4 85.7(4) . . ?
C16 Mo3 As2A 72.4(5) . . ?
C16 Mo3 Sb2A 128.7(5) . . ?
C16 Mo3 C18 83.2(5) . . ?
C16 Mo3 C19 110.6(5) . . ?
C16 Mo3 C21 126.4(5) . . ?
C16 Mo3 C20 141.8(5) . . ?
C16 Mo3 C17 90.8(5) . . ?
C16 Mo3 Sb2B 73.1(4) . . ?
C16 Mo3 As2B 130.9(6) . . ?
C17 Mo3 Mo4 142.2(3) . . ?
C17 Mo3 As2A 155.4(4) . . ?
C17 Mo3 Sb2A 140.5(5) . . ?
C17 Mo3 C18 36.4(4) . . ?
C17 Mo3 C19 60.0(4) . . ?
C17 Mo3 C20 60.0(5) . . ?
C17 Mo3 Sb2B 158.0(4) . . ?
C17 Mo3 As2B 138.2(6) . . ?
Sb2B Mo3 Mo4 53.37(12) . . ?
As2B Mo3 Mo4 58.6(5) . . ?
As2B Mo3 As2A 60.2(3) . . ?
As2B Mo3 Sb2B 58.9(5) . . ?
As1A Mo1 Mo2 57.5(3) . . ?
As1A Mo1 Sb1A 56.3(2) . . ?
As1A Mo1 Sb1B 4.0(4) . . ?
As1A Mo1 As1B 54.0(5) . . ?
Sb1A Mo1 Mo2 54.27(19) . . ?
C2 Mo1 As1A 126.4(5) . . ?
C2 Mo1 Mo2 86.9(3) . . ?
C2 Mo1 Sb1A 70.7(4) . . ?
C2 Mo1 C1 88.5(4) . . ?
C2 Mo1 C7 143.5(5) . . ?
C2 Mo1 C3 129.7(5) . . ?
C2 Mo1 C4 93.7(5) . . ?
C2 Mo1 C5 84.7(5) . . ?
C2 Mo1 C6 111.8(5) . . ?
C2 Mo1 Sb1B 129.4(4) . . ?
C2 Mo1 As1B 72.8(4) . . ?
C1 Mo1 As1A 85.9(4) . . ?
C1 Mo1 Mo2 128.4(3) . . ?
C1 Mo1 Sb1A 75.9(4) . . ?
C1 Mo1 C7 113.5(5) . . ?
C1 Mo1 C3 84.3(5) . . ?
C1 Mo1 C4 89.8(5) . . ?
C1 Mo1 C5 124.1(5) . . ?
C1 Mo1 C6 142.8(5) . . ?
C1 Mo1 Sb1B 88.7(4) . . ?
C1 Mo1 As1B 77.0(4) . . ?
C7 Mo1 As1A 85.7(5) . . ?
C7 Mo1 Mo2 99.6(3) . . ?
C7 Mo1 Sb1A 140.9(4) . . ?
C7 Mo1 C6 34.7(4) . . ?
C7 Mo1 Sb1B 82.0(3) . . ?
C7 Mo1 As1B 138.4(4) . . ?
C3 Mo1 As1A 102.7(5) . . ?
C3 Mo1 Mo2 134.5(4) . . ?
C3 Mo1 Sb1A 151.5(4) . . ?
C3 Mo1 C7 35.0(5) . . ?
C3 Mo1 C5 60.0(5) . . ?
C3 Mo1 C6 58.7(5) . . ?
C3 Mo1 Sb1B 100.3(4) . . ?
C3 Mo1 As1B 150.6(4) . . ?
C4 Mo1 As1A 139.4(5) . . ?
C4 Mo1 Mo2 141.8(3) . . ?
C4 Mo1 Sb1A 158.7(4) . . ?
C4 Mo1 C7 59.4(5) . . ?
C4 Mo1 C3 36.7(5) . . ?
C4 Mo1 C5 35.9(4) . . ?
C4 Mo1 C6 59.2(4) . . ?
C4 Mo1 Sb1B 136.8(3) . . ?
C4 Mo1 As1B 161.2(4) . . ?
C5 Mo1 As1A 139.6(5) . . ?
C5 Mo1 Mo2 106.5(3) . . ?
C5 Mo1 Sb1A 148.4(4) . . ?
C5 Mo1 C7 59.0(5) . . ?
C5 Mo1 C6 35.6(5) . . ?
C5 Mo1 Sb1B 135.6(4) . . ?
C5 Mo1 As1B 149.2(4) . . ?
C6 Mo1 As1A 104.0(5) . . ?
C6 Mo1 Mo2 85.1(3) . . ?
C6 Mo1 Sb1A 139.4(4) . . ?
C6 Mo1 Sb1B 100.1(4) . . ?
C6 Mo1 As1B 137.6(4) . . ?
Sb1B Mo1 Mo2 57.08(13) . . ?
Sb1B Mo1 Sb1A 59.7(3) . . ?
As1B Mo1 Mo2 52.6(2) . . ?
As1B Mo1 Sb1A 2.5(4) . . ?
As1B Mo1 Sb1B 57.33(16) . . ?
As4A Sb4A Mo8 61.5(6) . . ?
As4A Sb4A Mo7 62.0(3) . . ?
Mo7 Sb4A Mo8 70.11(16) . . ?
Cu4 Sb4A Mo8 107.8(5) . . ?
Cu4 Sb4A As4A 58.8(5) . . ?
Cu4 Sb4A Mo7 110.2(5) . . ?
Cu4 Sb4A Sb4B 58.3(3) . . ?
Sb4B Sb4A Mo8 59.5(2) . . ?
Sb4B Sb4A As4A 3.6(3) . . ?
Sb4B Sb4A Mo7 64.7(4) . . ?
Sb3A As3A Mo5 58.6(2) . . ?
Mo6 As3A Mo5 67.1(3) . . ?
Mo6 As3A Sb3A 60.2(4) . . ?
Cu3 As3A Mo5 104.6(3) . . ?
Cu3 As3A Sb3A 58.2(2) . . ?
Cu3 As3A Mo6 109.4(6) . . ?
Cu3 As3A As3B 56.2(3) . . ?
As3B As3A Mo5 57.0(2) . . ?
As3B As3A Sb3A 5.13(16) . . ?
As3B As3A Mo6 64.7(4) . . ?
As2A Sb2A Mo4 61.7(4) . . ?
As2A Sb2A Mo3 61.4(4) . . ?
As2A Sb2A Sb2B 4.3(4) . . ?
Mo3 Sb2A Mo4 69.7(2) . . ?
Cu2 Sb2A Mo4 107.9(5) . . ?
Cu2 Sb2A As2A 59.5(4) . . ?
Cu2 Sb2A Mo3 111.0(5) . . ?
Cu2 Sb2A Sb2B 58.6(3) . . ?
Sb2B Sb2A Mo4 59.58(18) . . ?
Sb2B Sb2A Mo3 64.8(3) . . ?
As1A Sb1A Mo2 62.8(3) . . ?
As1A Sb1A Mo1 57.1(2) . . ?
As1A Sb1A Sb1B 2.1(4) . . ?
Mo2 Sb1A Mo1 66.96(16) . . ?
Mo2 Sb1A Sb1B 61.0(3) . . ?
Cu1 Sb1A As1A 57.1(4) . . ?
Cu1 Sb1A Mo2 107.9(4) . . ?
Cu1 Sb1A Mo1 105.6(3) . . ?
Cu1 Sb1A Sb1B 57.9(2) . . ?
Sb1B Sb1A Mo1 57.7(2) . . ?
Sb3A Mo6 Mo5 55.90(7) . . ?
Sb3A Mo6 As3B 4.6(3) . . ?
As3A Mo6 Mo5 58.6(3) . . ?
As3A Mo6 Sb3A 60.7(2) . . ?
As3A Mo6 As3B 56.8(4) . . ?
C37 Mo6 Mo5 129.8(5) . . ?
C37 Mo6 Sb3A 75.7(5) . . ?
C37 Mo6 As3A 88.2(5) . . ?
C37 Mo6 C36 89.4(6) . . ?
C37 Mo6 C39 111.8(6) . . ?
C37 Mo6 C42 89.3(6) . . ?
C37 Mo6 C38 82.8(6) . . ?
C37 Mo6 C40 141.9(6) . . ?
C37 Mo6 C41 124.2(6) . . ?
C37 Mo6 As3B 78.4(5) . . ?
C37 Mo6 Sb3B 88.9(5) . . ?
C36 Mo6 Mo5 86.4(4) . . ?
C36 Mo6 Sb3A 70.4(6) . . ?
C36 Mo6 As3A 130.0(6) . . ?
C36 Mo6 C39 142.1(7) . . ?
C36 Mo6 C42 92.0(7) . . ?
C36 Mo6 C38 126.9(6) . . ?
C36 Mo6 C40 111.0(6) . . ?
C36 Mo6 C41 83.7(7) . . ?
C36 Mo6 As3B 73.8(6) . . ?
C36 Mo6 Sb3B 127.6(5) . . ?
C39 Mo6 Mo5 101.3(4) . . ?
C39 Mo6 Sb3A 143.6(4) . . ?
C39 Mo6 As3A 83.5(4) . . ?
C39 Mo6 C40 35.1(5) . . ?
C39 Mo6 As3B 139.2(5) . . ?
C39 Mo6 Sb3B 85.4(4) . . ?
C42 Mo6 Mo5 140.8(4) . . ?
C42 Mo6 Sb3A 156.6(5) . . ?
C42 Mo6 As3A 137.9(5) . . ?
C42 Mo6 C39 58.8(6) . . ?
C42 Mo6 C38 35.9(5) . . ?
C42 Mo6 C40 59.3(5) . . ?
C42 Mo6 C41 36.2(5) . . ?
C42 Mo6 As3B 161.1(5) . . ?
C42 Mo6 Sb3B 140.4(4) . . ?
C38 Mo6 Mo5 136.5(4) . . ?
C38 Mo6 Sb3A 152.5(4) . . ?
C38 Mo6 As3A 102.2(4) . . ?
C38 Mo6 C39 35.2(6) . . ?
C38 Mo6 C40 59.2(5) . . ?
C38 Mo6 C41 59.7(5) . . ?
C38 Mo6 As3B 151.9(4) . . ?
C38 Mo6 Sb3B 104.7(4) . . ?
C40 Mo6 Mo5 84.7(3) . . ?
C40 Mo6 Sb3A 140.6(3) . . ?
C40 Mo6 As3A 100.9(4) . . ?
C40 Mo6 As3B 137.0(3) . . ?
C40 Mo6 Sb3B 101.8(4) . . ?
C41 Mo6 Mo5 104.9(3) . . ?
C41 Mo6 Sb3A 147.7(4) . . ?
C41 Mo6 As3A 136.0(5) . . ?
C41 Mo6 C39 58.5(6) . . ?
C41 Mo6 C40 35.2(5) . . ?
C41 Mo6 As3B 148.2(5) . . ?
C41 Mo6 Sb3B 136.9(5) . . ?
As3B Mo6 Mo5 52.45(16) . . ?
Sb3B Mo6 Mo5 56.6(2) . . ?
Sb3B Mo6 Sb3A 58.5(2) . . ?
Sb3B Mo6 As3A 2.5(4) . . ?
Sb3B Mo6 As3B 54.6(3) . . ?
Sb3A Cu3 Cu4 147.56(13) . . ?
As3A Cu3 Sb3A 65.9(4) . . ?
As3A Cu3 Cu4 146.4(3) . . ?
Cl3 Cu3 Sb3A 108.39(14) . . ?
Cl3 Cu3 As3A 144.9(5) . . ?
Cl3 Cu3 Cu4 49.79(9) . . ?
Cl3 Cu3 As3B 105.8(3) . . ?
Cl3 Cu3 Sb3B 144.0(4) . . ?
Cl4 Cu3 Sb3A 140.53(16) . . ?
Cl4 Cu3 As3A 105.3(2) . . ?
Cl4 Cu3 Cu4 49.57(10) . . ?
Cl4 Cu3 Cl3 99.36(13) . . ?
Cl4 Cu3 As3B 145.5(2) . . ?
Cl4 Cu3 Sb3B 108.20(18) . . ?
As3B Cu3 Sb3A 5.2(2) . . ?
As3B Cu3 As3A 65.3(3) . . ?
As3B Cu3 Cu4 148.4(3) . . ?
As3B Cu3 Sb3B 61.9(4) . . ?
Sb3B Cu3 Sb3A 62.6(2) . . ?
Sb3B Cu3 As3A 3.3(5) . . ?
Sb3B Cu3 Cu4 149.7(2) . . ?
As1A Cu1 Sb1A 63.9(3) . . ?
As1A Cu1 Cu2 151.6(3) . . ?
As1A Cu1 Sb1B 3.8(4) . . ?
As1A Cu1 As1B 59.1(4) . . ?
Sb1A Cu1 Cu2 144.53(19) . . ?
Sb1A Cu1 Sb1B 67.1(2) . . ?
Cl2 Cu1 As1A 141.4(3) . . ?
Cl2 Cu1 Sb1A 103.72(17) . . ?
Cl2 Cu1 Cu2 50.06(9) . . ?
Cl2 Cu1 Sb1B 139.79(17) . . ?
Cl2 Cu1 As1B 107.6(2) . . ?
Cl1 Cu1 As1A 109.2(4) . . ?
Cl1 Cu1 Sb1A 145.6(2) . . ?
Cl1 Cu1 Cu2 50.23(9) . . ?
Cl1 Cu1 Cl2 100.24(12) . . ?
Cl1 Cu1 Sb1B 107.91(17) . . ?
Cl1 Cu1 As1B 144.7(2) . . ?
Sb1B Cu1 Cu2 148.23(14) . . ?
As1B Cu1 Sb1A 4.8(4) . . ?
As1B Cu1 Cu2 149.3(2) . . ?
As1B Cu1 Sb1B 62.3(2) . . ?
As4A Cu4 Cu3 148.2(3) . . ?
Sb4A Cu4 As4A 63.0(3) . . ?
Sb4A Cu4 Cu3 148.6(2) . . ?
Cl3 Cu4 As4A 134.4(3) . . ?
Cl3 Cu4 Sb4A 110.7(3) . . ?
Cl3 Cu4 Cu3 49.95(9) . . ?
Cl3 Cu4 Sb4B 138.20(17) . . ?
Cl3 Cu4 As4B 108.3(5) . . ?
Cl4 Cu4 As4A 112.9(3) . . ?
Cl4 Cu4 Sb4A 138.5(5) . . ?
Cl4 Cu4 Cu3 49.97(9) . . ?
Cl4 Cu4 Cl3 99.93(13) . . ?
Cl4 Cu4 Sb4B 110.01(17) . . ?
Cl4 Cu4 As4B 139.2(7) . . ?
Sb4B Cu4 As4A 3.8(4) . . ?
Sb4B Cu4 Sb4A 63.3(2) . . ?
Sb4B Cu4 Cu3 148.07(17) . . ?
As4B Cu4 As4A 65.6(4) . . ?
As4B Cu4 Sb4A 2.8(5) . . ?
As4B Cu4 Cu3 146.0(3) . . ?
As4B Cu4 Sb4B 65.9(3) . . ?
As2A Cu2 Cu1 149.9(3) . . ?
Sb2A Cu2 As2A 63.0(4) . . ?
Sb2A Cu2 Cu1 146.9(2) . . ?
Sb2A Cu2 Sb2B 63.8(2) . . ?
Sb2A Cu2 As2B 2.7(7) . . ?
Cl2 Cu2 As2A 113.4(4) . . ?
Cl2 Cu2 Sb2A 138.3(5) . . ?
Cl2 Cu2 Cu1 50.69(9) . . ?
Cl2 Cu2 Cl1 100.87(12) . . ?
Cl2 Cu2 Sb2B 109.7(2) . . ?
Cl2 Cu2 As2B 139.8(6) . . ?
Cl1 Cu2 As2A 133.2(3) . . ?
Cl1 Cu2 Sb2A 109.9(3) . . ?
Cl1 Cu2 Cu1 50.23(9) . . ?
Cl1 Cu2 Sb2B 137.56(19) . . ?
Cl1 Cu2 As2B 107.3(5) . . ?
Sb2B Cu2 As2A 4.5(4) . . ?
Sb2B Cu2 Cu1 149.28(19) . . ?
As2B Cu2 As2A 65.0(4) . . ?
As2B Cu2 Cu1 144.8(3) . . ?
As2B Cu2 Sb2B 65.9(3) . . ?
Cu4 Cl3 Cu3 80.25(11) . . ?
Cu2 Cl2 Cu1 79.25(11) . . ?
Cu2 Cl1 Cu1 79.54(12) . . ?
Cu4 Cl4 Cu3 80.46(12) . . ?
Mo3 C18 H18 121.8 . . ?
C19 C18 Mo3 73.6(7) . . ?
C19 C18 H18 125.4 . . ?
C19 C18 C17 109.1(12) . . ?
C17 C18 Mo3 70.8(6) . . ?
C17 C18 H18 125.4 . . ?
Mo2 C10 H10 122.2 . . ?
C11 C10 Mo2 73.2(7) . . ?
C11 C10 H10 125.9 . . ?
C11 C10 C14 108.3(12) . . ?
C14 C10 Mo2 70.5(7) . . ?
C14 C10 H10 125.9 . . ?
Mo8 C53 H53 120.0 . . ?
C54 C53 Mo8 74.4(7) . . ?
C54 C53 H53 125.6 . . ?
C52 C53 Mo8 71.8(7) . . ?
C52 C53 H53 125.6 . . ?
C52 C53 C54 108.9(11) . . ?
O2 C2 Mo1 176.1(11) . . ?
Mo5 C32 H32 120.1 . . ?
C33 C32 Mo5 72.1(7) . . ?
C33 C32 H32 126.0 . . ?
C33 C32 C31 108.0(12) . . ?
C31 C32 Mo5 73.6(6) . . ?
C31 C32 H32 126.0 . . ?
O13 C43 Mo7 173.9(13) . . ?
O15 C50 Mo8 174.3(11) . . ?
Mo3 C19 H19 122.2 . . ?
C18 C19 Mo3 71.3(7) . . ?
C18 C19 H19 125.9 . . ?
C18 C19 C20 108.2(11) . . ?
C20 C19 Mo3 72.3(7) . . ?
C20 C19 H19 125.9 . . ?
O16 C51 Mo8 175.9(10) . . ?
O5 C15 Mo3 175.7(12) . . ?
O7 C22 Mo4 173.1(12) . . ?
O1 C1 Mo1 176.1(11) . . ?
O9 C29 Mo5 175.0(10) . . ?
Mo5 C35 H35 123.2 . . ?
C31 C35 Mo5 70.8(6) . . ?
C31 C35 H35 126.2 . . ?
C31 C35 C34 107.6(11) . . ?
C34 C35 Mo5 71.5(7) . . ?
C34 C35 H35 126.2 . . ?
O12 C37 Mo6 174.0(15) . . ?
Mo7 C48 H48 123.3 . . ?
C49 C48 Mo7 70.4(7) . . ?
C49 C48 H48 126.6 . . ?
C47 C48 Mo7 71.4(7) . . ?
C47 C48 H48 126.6 . . ?
C47 C48 C49 106.9(11) . . ?
Mo8 C54 H54 122.4 . . ?
C53 C54 Mo8 70.6(7) . . ?
C53 C54 H54 125.8 . . ?
C55 C54 Mo8 72.8(7) . . ?
C55 C54 C53 108.4(12) . . ?
C55 C54 H54 125.8 . . ?
Mo4 C28 H28 119.7 . . ?
C27 C28 Mo4 74.3(7) . . ?
C27 C28 H28 126.0 . . ?
C24 C28 Mo4 71.8(7) . . ?
C24 C28 H28 126.0 . . ?
C24 C28 C27 107.9(11) . . ?
O11 C36 Mo6 175.0(18) . . ?
O4 C9 Mo2 174.2(13) . . ?
O10 C30 Mo5 174.4(12) . . ?
Mo1 C7 H7 122.2 . . ?
C3 C7 Mo1 70.9(7) . . ?
C3 C7 H7 125.4 . . ?
C3 C7 C6 109.3(12) . . ?
C6 C7 Mo1 73.2(7) . . ?
C6 C7 H7 125.4 . . ?
Mo1 C3 H3 120.7 . . ?
C7 C3 Mo1 74.1(7) . . ?
C7 C3 H3 126.4 . . ?
C7 C3 C4 107.3(11) . . ?
C4 C3 Mo1 70.6(6) . . ?
C4 C3 H3 126.4 . . ?
Mo6 C39 H39 120.9 . . ?
C38 C39 Mo6 71.4(9) . . ?
C38 C39 H39 124.9 . . ?
C38 C39 C40 110.3(15) . . ?
C40 C39 Mo6 74.4(9) . . ?
C40 C39 H39 124.9 . . ?
Mo8 C52 H52 119.5 . . ?
C53 C52 Mo8 72.8(7) . . ?
C53 C52 H52 126.3 . . ?
C53 C52 C56 107.3(12) . . ?
C56 C52 Mo8 73.3(7) . . ?
C56 C52 H52 126.3 . . ?
Mo2 C11 H11 120.5 . . ?
C10 C11 Mo2 71.8(7) . . ?
C10 C11 H11 125.5 . . ?
C12 C11 Mo2 73.9(7) . . ?
C12 C11 C10 109.0(12) . . ?
C12 C11 H11 125.5 . . ?
O14 C44 Mo7 175.9(11) . . ?
Mo6 C42 H42 120.0 . . ?
C38 C42 Mo6 72.6(8) . . ?
C38 C42 H42 126.0 . . ?
C38 C42 C41 108.0(14) . . ?
C41 C42 Mo6 73.2(8) . . ?
C41 C42 H42 126.0 . . ?
O8 C23 Mo4 173.5(11) . . ?
Mo5 C33 H33 118.9 . . ?
C32 C33 Mo5 72.4(6) . . ?
C32 C33 H33 125.9 . . ?
C32 C33 C34 108.3(11) . . ?
C34 C33 Mo5 74.7(7) . . ?
C34 C33 H33 125.9 . . ?
Mo8 C55 H55 121.7 . . ?
C54 C55 Mo8 72.8(7) . . ?
C54 C55 H55 125.9 . . ?
C54 C55 C56 108.3(11) . . ?
C56 C55 Mo8 71.3(7) . . ?
C56 C55 H55 125.9 . . ?
Mo4 C27 H27 122.8 . . ?
C28 C27 Mo4 70.3(7) . . ?
C28 C27 H27 125.4 . . ?
C26 C27 Mo4 73.1(7) . . ?
C26 C27 C28 109.1(12) . . ?
C26 C27 H27 125.4 . . ?
O3 C8 Mo2 175.0(12) . . ?
Mo7 C49 H49 121.4 . . ?
C48 C49 Mo7 73.6(7) . . ?
C48 C49 H49 126.7 . . ?
C45 C49 Mo7 70.1(7) . . ?
C45 C49 C48 106.6(11) . . ?
C45 C49 H49 126.7 . . ?
Mo3 C21 H21 120.0 . . ?
C20 C21 Mo3 74.4(7) . . ?
C20 C21 H21 125.3 . . ?
C20 C21 C17 109.4(11) . . ?
C17 C21 Mo3 71.9(7) . . ?
C17 C21 H21 125.3 . . ?
Mo4 C24 H24 119.2 . . ?
C28 C24 Mo4 72.6(7) . . ?
C28 C24 H24 126.2 . . ?
C28 C24 C25 107.6(12) . . ?
C25 C24 Mo4 73.8(7) . . ?
C25 C24 H24 126.2 . . ?
Mo3 C20 H20 122.8 . . ?
C19 C20 Mo3 72.7(7) . . ?
C19 C20 H20 126.1 . . ?
C21 C20 Mo3 70.1(7) . . ?
C21 C20 C19 107.8(11) . . ?
C21 C20 H20 126.1 . . ?
Mo2 C12 H12 124.2 . . ?
C11 C12 Mo2 71.9(7) . . ?
C11 C12 H12 125.9 . . ?
C11 C12 C13 108.1(12) . . ?
C13 C12 Mo2 69.5(7) . . ?
C13 C12 H12 125.9 . . ?
Mo2 C14 H14 119.6 . . ?
C10 C14 Mo2 73.3(7) . . ?
C10 C14 H14 126.8 . . ?
C13 C14 Mo2 72.3(7) . . ?
C13 C14 C10 106.4(13) . . ?
C13 C14 H14 126.8 . . ?
Mo1 C4 H4 119.8 . . ?
C3 C4 Mo1 72.7(7) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 Mo1 73.3(6) . . ?
C5 C4 C3 107.7(11) . . ?
C5 C4 H4 126.1 . . ?
O6 C16 Mo3 175.7(13) . . ?
Mo6 C38 H38 120.6 . . ?
C39 C38 Mo6 73.4(8) . . ?
C39 C38 C42 107.2(13) . . ?
C39 C38 H38 126.4 . . ?
C42 C38 Mo6 71.5(8) . . ?
C42 C38 H38 126.4 . . ?
Mo5 C31 H31 120.6 . . ?
C32 C31 Mo5 70.7(6) . . ?
C32 C31 H31 126.2 . . ?
C35 C31 Mo5 74.4(7) . . ?
C35 C31 C32 107.7(11) . . ?
C35 C31 H31 126.2 . . ?
Mo6 C40 H40 124.0 . . ?
C39 C40 Mo6 70.5(8) . . ?
C39 C40 H40 126.9 . . ?
C39 C40 C41 106.3(13) . . ?
C41 C40 Mo6 70.3(9) . . ?
C41 C40 H40 126.9 . . ?
Mo1 C5 H5 120.7 . . ?
C4 C5 Mo1 70.8(6) . . ?
C4 C5 H5 126.2 . . ?
C4 C5 C6 107.6(11) . . ?
C6 C5 Mo1 74.1(7) . . ?
C6 C5 H5 126.2 . . ?
Mo2 C13 H13 119.5 . . ?
C12 C13 Mo2 74.9(7) . . ?
C12 C13 H13 125.9 . . ?
C14 C13 Mo2 71.5(8) . . ?
C14 C13 C12 108.2(12) . . ?
C14 C13 H13 125.9 . . ?
Mo7 C45 H45 119.8 . . ?
C49 C45 Mo7 73.7(7) . . ?
C49 C45 H45 125.7 . . ?
C46 C45 Mo7 72.6(7) . . ?
C46 C45 C49 108.7(12) . . ?
C46 C45 H45 125.7 . . ?
Mo5 C34 H34 121.9 . . ?
C35 C34 Mo5 73.8(7) . . ?
C35 C34 H34 125.8 . . ?
C33 C34 Mo5 70.1(7) . . ?
C33 C34 C35 108.4(12) . . ?
C33 C34 H34 125.8 . . ?
Mo4 C26 H26 121.6 . . ?
C27 C26 Mo4 72.2(7) . . ?
C27 C26 H26 126.6 . . ?
C27 C26 C25 106.9(11) . . ?
C25 C26 Mo4 71.4(6) . . ?
C25 C26 H26 126.6 . . ?
Mo8 C56 H56 121.3 . . ?
C52 C56 Mo8 70.7(7) . . ?
C52 C56 H56 126.4 . . ?
C55 C56 Mo8 73.4(7) . . ?
C55 C56 C52 107.2(11) . . ?
C55 C56 H56 126.4 . . ?
Mo3 C17 H17 120.2 . . ?
C18 C17 Mo3 72.9(7) . . ?
C18 C17 H17 127.3 . . ?
C21 C17 Mo3 71.6(7) . . ?
C21 C17 C18 105.5(12) . . ?
C21 C17 H17 127.3 . . ?
Mo6 C41 H41 120.7 . . ?
C42 C41 Mo6 70.6(8) . . ?
C42 C41 H41 125.9 . . ?
C40 C41 Mo6 74.6(8) . . ?
C40 C41 C42 108.3(13) . . ?
C40 C41 H41 125.9 . . ?
Mo1 C6 H6 123.2 . . ?
C7 C6 Mo1 72.1(6) . . ?
C7 C6 C5 108.1(11) . . ?
C7 C6 H6 125.9 . . ?
C5 C6 Mo1 70.3(7) . . ?
C5 C6 H6 125.9 . . ?
Mo7 C46 H46 120.0 . . ?
C45 C46 Mo7 71.4(7) . . ?
C45 C46 H46 126.2 . . ?
C47 C46 Mo7 74.2(7) . . ?
C47 C46 C45 107.6(11) . . ?
C47 C46 H46 126.2 . . ?
Mo7 C47 H47 122.1 . . ?
C48 C47 Mo7 73.8(7) . . ?
C48 C47 H47 124.9 . . ?
C46 C47 Mo7 70.7(7) . . ?
C46 C47 C48 110.1(11) . . ?
C46 C47 H47 124.9 . . ?
Mo4 C25 H25 122.2 . . ?
C24 C25 Mo4 70.2(6) . . ?
C24 C25 H25 125.8 . . ?
C26 C25 Mo4 73.4(7) . . ?
C26 C25 C24 108.4(11) . . ?
C26 C25 H25 125.8 . . ?
Mo1 Sb1B Mo2 67.84(12) . . ?
Mo1 Sb1B Sb1A 62.56(19) . . ?
Sb1A Sb1B Mo2 58.3(2) . . ?
Cu1 Sb1B Mo2 103.4(2) . . ?
Cu1 Sb1B Mo1 107.30(16) . . ?
Cu1 Sb1B Sb1A 55.0(2) . . ?
Cu1 Sb1B As1B 57.00(19) . . ?
As1B Sb1B Mo2 57.1(2) . . ?
As1B Sb1B Mo1 60.76(15) . . ?
As1B Sb1B Sb1A 2.0(3) . . ?
As1A As1B Mo2 67.2(5) . . ?
As1A As1B Mo1 61.4(4) . . ?
As1A As1B Cu1 59.7(4) . . ?
As1A As1B Sb1B 2.3(4) . . ?
Mo2 As1B Mo1 71.3(2) . . ?
Mo2 As1B Sb1B 65.1(2) . . ?
Cu1 As1B Mo2 112.7(4) . . ?
Cu1 As1B Mo1 111.2(3) . . ?
Cu1 As1B Sb1B 60.7(3) . . ?
Sb1B As1B Mo1 61.91(15) . . ?
Mo4 Sb2B Mo3 68.21(14) . . ?
Mo4 Sb2B As2B 63.8(4) . . ?
Sb2A Sb2B Mo4 62.4(3) . . ?
Sb2A Sb2B Mo3 58.2(3) . . ?
Sb2A Sb2B As2B 1.6(9) . . ?
Cu2 Sb2B Mo4 109.4(3) . . ?
Cu2 Sb2B Mo3 104.9(3) . . ?
Cu2 Sb2B Sb2A 57.6(3) . . ?
Cu2 Sb2B As2B 56.9(3) . . ?
As2B Sb2B Mo3 57.8(6) . . ?
As2A As2B Mo4 59.3(3) . . ?
As2A As2B Sb2B 4.2(3) . . ?
Mo3 As2B Mo4 67.8(3) . . ?
Mo3 As2B As2A 60.1(3) . . ?
Mo3 As2B Sb2B 63.3(4) . . ?
Cu2 As2B Mo4 104.2(6) . . ?
Cu2 As2B As2A 58.1(4) . . ?
Cu2 As2B Mo3 109.7(7) . . ?
Cu2 As2B Sb2B 57.1(4) . . ?
Sb2B As2B Mo4 57.3(4) . . ?
Mo5 As3B As3A 65.2(2) . . ?
Mo5 As3B Mo6 67.74(18) . . ?
As3A As3B Mo6 58.5(6) . . ?
Cu3 As3B Mo5 113.3(5) . . ?
Cu3 As3B As3A 58.5(3) . . ?
Cu3 As3B Mo6 106.1(5) . . ?
Cu3 As3B Sb3B 60.0(5) . . ?
Sb3B As3B Mo5 63.8(4) . . ?
Sb3B As3B As3A 1.5(4) . . ?
Sb3B As3B Mo6 57.6(3) . . ?
Sb3A Sb3B Mo5 61.57(15) . . ?
Mo6 Sb3B Mo5 70.1(3) . . ?
Mo6 Sb3B Sb3A 63.0(3) . . ?
Cu3 Sb3B Mo5 108.6(3) . . ?
Cu3 Sb3B Sb3A 60.2(2) . . ?
Cu3 Sb3B Mo6 112.8(5) . . ?
Cu3 Sb3B As3B 58.1(3) . . ?
As3B Sb3B Mo5 60.0(3) . . ?
As3B Sb3B Sb3A 5.39(17) . . ?
As3B Sb3B Mo6 67.8(5) . . ?
Mo8 Sb4B Mo7 68.59(16) . . ?
Mo8 Sb4B As4B 64.5(4) . . ?
Sb4A Sb4B Mo8 62.4(3) . . ?
Sb4A Sb4B Mo7 58.0(3) . . ?
Sb4A Sb4B As4B 2.3(4) . . ?
Cu4 Sb4B Mo8 110.3(3) . . ?
Cu4 Sb4B Mo7 104.9(4) . . ?
Cu4 Sb4B Sb4A 58.4(4) . . ?
Cu4 Sb4B As4B 56.3(3) . . ?
As4B Sb4B Mo7 59.1(6) . . ?
As4A As4B Mo8 59.1(4) . . ?
As4A As4B Mo7 60.1(5) . . ?
As4A As4B Sb4B 3.5(3) . . ?
Mo7 As4B Mo8 67.2(2) . . ?
Cu4 As4B Mo8 105.4(6) . . ?
Cu4 As4B As4A 58.3(5) . . ?
Cu4 As4B Mo7 109.1(7) . . ?
Cu4 As4B Sb4B 57.8(4) . . ?
Sb4B As4B Mo8 57.2(4) . . ?
Sb4B As4B Mo7 62.7(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.315
_oxdiff_exptl_absorpt_empirical_full_min 0.764
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.7764(11) 23664 20988 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.2236(11) 0 20988 nmt 0.0145 0.9880 -0.0230 1.0156 -0.0129 -0.0229 -0.0014
0.0010 -1.0006

_twin_special_details            
;
Component 2 rotated by 179.9307° 
 around [0.71 0.71 -0.00] (reciprocal) or [0.72 0.70 -0.02] (direct)
;
####################################################################### 
# 
# 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_ems_635_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2330297'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-02-01 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2018-03-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.03.09 svn.r3491 for OlexSys, GUI svn.r5479)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H10 As Cu I Mo2 O4 Sb, C H2 Cl2'
_chemical_formula_sum            'C15 H12 As Cl2 Cu I Mo2 O4 Sb'
_chemical_formula_weight         906.14
_chemical_melting_point          ?
_chemical_oxdiff_formula         C15H12AsCl2CuIMo2O4Sb
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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.4347(4)
_cell_length_b                   15.6404(6)
_cell_length_c                   13.4725(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.374(3)
_cell_angle_gamma                90
_cell_volume                     2196.86(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5897
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      31.7210
_cell_measurement_theta_min      3.7610
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.448
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.434
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.740
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1672
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 17 -9 0.0844
-12 -11 -6 0.0770
5 -17 10 0.0676
11 14 4 0.0804
-9 8 14 0.0447
-9 11 -12 0.0936
11 -10 -10 0.0228
-10 10 11 0.0384
-11 1 14 0.0246
13 1 -11 0.0167
11 -5 -12 0.0068

_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.043
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
-4.8872 17.4804 -9.4926 -0.0961 -0.3883 0.9165
-11.6647 -11.0546 -5.8958 0.2076 0.8739 0.4395
5.1345 -17.2200 9.6094 0.0915 0.3689 -0.9249
10.7286 14.0023 4.2047 -0.2227 -0.9347 -0.2772
-8.9998 7.9978 14.0017 -0.9711 0.2325 0.1331
-8.9999 10.9990 -11.9989 0.0506 0.0016 1.0254
10.9998 -9.9977 -10.0019 0.8946 -0.2404 -0.3930
-9.9998 9.9978 11.0018 -0.9126 0.1988 0.3178
-10.9998 0.9976 14.0019 -0.8677 0.5533 0.0587
12.9997 1.0025 -11.0021 0.7468 -0.6964 -0.1946
10.9998 -4.9977 -12.0019 0.8704 -0.4131 -0.2143

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13681
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.472
_diffrn_reflns_theta_min         3.256
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2548
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  61.00   0.50   90.00    --  -18.71  19.00  60.00  252
  2  ω     58.00  99.00   0.50   90.00    --   19.65 178.00 150.00   82
  3  ω     57.00 110.00   0.50   90.00    --   19.65 178.00 -90.00  106
;
_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      0.0237456000
_diffrn_orient_matrix_UB_12      -0.0215507000
_diffrn_orient_matrix_UB_13      -0.0417827000
_diffrn_orient_matrix_UB_21      -0.0467221000
_diffrn_orient_matrix_UB_22      -0.0324920000
_diffrn_orient_matrix_UB_23      0.0051298000
_diffrn_orient_matrix_UB_31      -0.0435382000
_diffrn_orient_matrix_UB_32      0.0230683000
_diffrn_orient_matrix_UB_33      -0.0316529000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5969
_reflns_number_total             7011
_reflns_odcompleteness_completeness 99.47
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.672
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         7011
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.109
_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)+(0.0326P)²+1.4293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0840
_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
 Cl1A-C15A \\sim Cl2A-C15A \\sim Cl2B-C15B \\sim Cl1B-C15B
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Cl1B \\sim Cl1A \\sim C15A \\sim C15B \\sim Cl2A \\sim Cl2B: within 1.8A with
sigma of 0.01 and sigma for terminal atoms of 0.01
4. Others
 Sof(Cl2B)=Sof(C15B)=Sof(H15C)=Sof(H15D)=Sof(Cl1B)=1-FVAR(1)
 Sof(Cl1A)=Sof(Cl2A)=Sof(C15A)=Sof(H15A)=Sof(H15B)=FVAR(1)
 Sof(As1B)=Sof(Sb1B)=1-FVAR(2)
 Sof(Sb1A)=Sof(As1A)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C15A(H15A,H15B), C15B(H15C,H15D)
5.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C10(H10), C13(H13), C7(H7), C4(H4), C14(H14), C3(H3),
 C5(H5), C6(H6)
;
_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
I1 I 0.17887(2) 0.47932(2) 0.43782(2) 0.02096(7) Uani 1 1 d . . . . .
Sb1A Sb 0.1472(3) 0.7251(2) 0.59491(19) 0.0175(3) Uani 0.665(3) 1 d . . P A 1
Mo1 Mo 0.32182(3) 0.72295(2) 0.75155(2) 0.01480(7) Uani 1 1 d . . . . .
Mo2 Mo 0.03815(3) 0.76807(2) 0.77779(2) 0.01491(7) Uani 1 1 d . . . . .
As1A As 0.1222(7) 0.6169(4) 0.7367(5) 0.0162(5) Uani 0.665(3) 1 d . . P A 1
Cu1 Cu 0.06321(5) 0.56680(3) 0.56847(4) 0.02184(11) Uani 1 1 d . . . . .
Cl1A Cl 0.6353(2) 0.57418(16) 0.9236(2) 0.0452(7) Uani 0.617(5) 1 d D U P B 1
Cl2A Cl 0.8714(4) 0.4905(3) 0.8827(5) 0.0890(15) Uani 0.617(5) 1 d D U P B 1
O3 O -0.2083(3) 0.7471(3) 0.6405(3) 0.0386(9) Uani 1 1 d . . . . .
O1 O 0.4520(3) 0.5683(2) 0.6481(3) 0.0372(8) Uani 1 1 d . . . . .
O4 O 0.0970(4) 0.9410(2) 0.6705(3) 0.0393(9) Uani 1 1 d . . . . .
O2 O 0.3276(3) 0.6224(3) 0.9523(3) 0.0400(9) Uani 1 1 d . . . . .
C1 C 0.3990(4) 0.6223(3) 0.6852(3) 0.0243(9) Uani 1 1 d . . . . .
C8 C -0.1121(4) 0.7525(3) 0.6873(3) 0.0263(9) Uani 1 1 d . . . . .
C2 C 0.3202(4) 0.6567(3) 0.8773(3) 0.0240(9) Uani 1 1 d . . . . .
C11 C 0.0996(4) 0.7896(3) 0.9468(3) 0.0236(9) Uani 1 1 d . . . . .
H11 H 0.186804 0.793586 0.969561 0.028 Uiso 1 1 calc R . . . .
C12 C 0.0261(4) 0.7136(3) 0.9389(3) 0.0264(9) Uani 1 1 d . . . . .
H12 H 0.055679 0.657690 0.955166 0.032 Uiso 1 1 calc R . . . .
C9 C 0.0781(4) 0.8763(3) 0.7062(3) 0.0255(9) Uani 1 1 d . . . . .
C10 C 0.0211(5) 0.8580(3) 0.9150(3) 0.0292(10) Uani 1 1 d . . . . .
H10 H 0.045819 0.916345 0.912045 0.035 Uiso 1 1 calc R . . . .
C13 C -0.0973(4) 0.7347(3) 0.9030(3) 0.0306(10) Uani 1 1 d . . . . .
H13 H -0.166057 0.695819 0.890776 0.037 Uiso 1 1 calc R . . . .
C7 C 0.5238(4) 0.7728(3) 0.7917(4) 0.0283(10) Uani 1 1 d . . . . .
H7 H 0.588237 0.734026 0.815103 0.034 Uiso 1 1 calc R . . . .
C4 C 0.3587(4) 0.8700(3) 0.7872(4) 0.0279(9) Uani 1 1 d . . . . .
H4 H 0.293671 0.908072 0.807337 0.033 Uiso 1 1 calc R . . . .
C14 C -0.1021(4) 0.8243(3) 0.8882(3) 0.0307(10) Uani 1 1 d . . . . .
H14 H -0.174566 0.856234 0.864479 0.037 Uiso 1 1 calc R . . . .
C3 C 0.4382(4) 0.8193(3) 0.8506(3) 0.0278(10) Uani 1 1 d . . . . .
H3 H 0.435101 0.816749 0.920942 0.033 Uiso 1 1 calc R . . . .
C5 C 0.3927(4) 0.8542(3) 0.6884(3) 0.0281(10) Uani 1 1 d . . . . .
H5 H 0.353531 0.879052 0.630349 0.034 Uiso 1 1 calc R . . . .
C6 C 0.4948(4) 0.7952(3) 0.6910(3) 0.0269(9) Uani 1 1 d . . . . .
H6 H 0.537187 0.774064 0.634954 0.032 Uiso 1 1 calc R . . . .
C15A C 0.7099(8) 0.4950(7) 0.8555(9) 0.063(2) Uani 0.617(5) 1 d D U P B 1
H15A H 0.671010 0.438886 0.870165 0.076 Uiso 0.617(5) 1 calc R . P B 1
H15B H 0.695083 0.506532 0.783725 0.076 Uiso 0.617(5) 1 calc R . P B 1
Cl2B Cl 0.9024(5) 0.4996(3) 0.9471(4) 0.0525(13) Uani 0.383(5) 1 d D U P B -1
C15B C 0.7825(14) 0.4742(10) 0.8580(14) 0.074(3) Uani 0.383(5) 1 d D U P B -1
H15C H 0.818715 0.471597 0.791312 0.089 Uiso 0.383(5) 1 calc R . P B -1
H15D H 0.744852 0.417709 0.872811 0.089 Uiso 0.383(5) 1 calc R . P B -1
Cl1B Cl 0.6664(8) 0.5524(5) 0.8608(8) 0.111(2) Uani 0.383(5) 1 d D U P B -1
As1B As 0.1414(11) 0.7147(7) 0.6121(6) 0.0198(10) Uani 0.335(3) 1 d . . P A 2
Sb1B Sb 0.1167(10) 0.6052(6) 0.7491(7) 0.0225(9) Uani 0.335(3) 1 d . . 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
I1 Cu1 2.5696(6) . ?
I1 Cu1 2.6250(6) 3_566 ?
Sb1A Mo1 2.730(3) . ?
Sb1A Mo2 2.837(3) . ?
Sb1A As1A 2.573(5) . ?
Sb1A Cu1 2.645(3) . ?
Mo1 Mo2 3.0775(5) . ?
Mo1 As1A 2.663(7) . ?
Mo1 C1 1.996(5) . ?
Mo1 C2 1.987(4) . ?
Mo1 C7 2.291(4) . ?
Mo1 C4 2.378(4) . ?
Mo1 C3 2.323(4) . ?
Mo1 C5 2.354(4) . ?
Mo1 C6 2.308(4) . ?
Mo1 As1B 2.607(10) . ?
Mo1 Sb1B 2.823(9) . ?
Mo2 As1A 2.590(7) . ?
Mo2 C8 1.961(4) . ?
Mo2 C11 2.364(4) . ?
Mo2 C12 2.340(4) . ?
Mo2 C9 2.001(5) . ?
Mo2 C10 2.336(4) . ?
Mo2 C13 2.305(4) . ?
Mo2 C14 2.304(4) . ?
Mo2 As1B 2.653(10) . ?
Mo2 Sb1B 2.709(10) . ?
As1A Cu1 2.453(7) . ?
Cu1 Cu1 3.0511(10) 3_566 ?
Cu1 As1B 2.514(11) . ?
Cu1 Sb1B 2.546(10) . ?
Cl1A C15A 1.744(8) . ?
Cl1A Cl1B 0.980(10) . ?
Cl2A C15A 1.711(8) . ?
Cl2A Cl2B 0.925(6) . ?
Cl2A C15B 1.005(12) . ?
Cl2A Cl1B 2.356(9) . ?
O3 C8 1.166(5) . ?
O1 C1 1.136(5) . ?
O4 C9 1.140(5) . ?
O2 C2 1.144(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.417(6) . ?
C11 C10 1.403(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.396(7) . ?
C10 H10 0.9500 . ?
C10 C14 1.422(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.416(7) . ?
C7 H7 0.9500 . ?
C7 C3 1.420(6) . ?
C7 C6 1.421(6) . ?
C4 H4 0.9500 . ?
C4 C3 1.410(7) . ?
C4 C5 1.414(6) . ?
C14 H14 0.9500 . ?
C3 H3 0.9500 . ?
C5 H5 0.9500 . ?
C5 C6 1.409(7) . ?
C6 H6 0.9500 . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C15A C15B 0.824(12) . ?
C15A Cl1B 1.010(11) . ?
Cl2B C15B 1.744(9) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
C15B Cl1B 1.723(9) . ?
As1B Sb1B 2.538(9) . ?

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
Cu1 I1 Cu1 71.929(19) . 3_566 ?
Mo1 Sb1A Mo2 67.08(6) . . ?
As1A Sb1A Mo1 60.20(17) . . ?
As1A Sb1A Mo2 56.94(18) . . ?
As1A Sb1A Cu1 56.05(17) . . ?
Cu1 Sb1A Mo1 107.43(10) . . ?
Cu1 Sb1A Mo2 101.32(8) . . ?
Sb1A Mo1 Mo2 58.12(7) . . ?
As1A Mo1 Sb1A 56.97(14) . . ?
As1A Mo1 Mo2 53.04(17) . . ?
C1 Mo1 Sb1A 86.11(15) . . ?
C1 Mo1 Mo2 129.80(12) . . ?
C1 Mo1 As1A 78.7(2) . . ?
C1 Mo1 C7 89.41(18) . . ?
C1 Mo1 C4 142.03(17) . . ?
C1 Mo1 C3 123.91(17) . . ?
C1 Mo1 C5 112.79(18) . . ?
C1 Mo1 C6 83.80(18) . . ?
C1 Mo1 As1B 86.0(3) . . ?
C1 Mo1 Sb1B 78.5(3) . . ?
C2 Mo1 Sb1A 129.51(14) . . ?
C2 Mo1 Mo2 88.82(12) . . ?
C2 Mo1 As1A 72.81(18) . . ?
C2 Mo1 C1 89.32(18) . . ?
C2 Mo1 C7 90.97(18) . . ?
C2 Mo1 C4 109.86(17) . . ?
C2 Mo1 C3 82.62(17) . . ?
C2 Mo1 C5 141.04(17) . . ?
C2 Mo1 C6 126.28(17) . . ?
C2 Mo1 As1B 123.8(2) . . ?
C2 Mo1 Sb1B 68.7(2) . . ?
C7 Mo1 Sb1A 139.12(14) . . ?
C7 Mo1 Mo2 140.77(12) . . ?
C7 Mo1 As1A 159.81(19) . . ?
C7 Mo1 C4 58.90(17) . . ?
C7 Mo1 C3 35.84(16) . . ?
C7 Mo1 C5 59.23(17) . . ?
C7 Mo1 C6 36.01(16) . . ?
C7 Mo1 As1B 144.8(2) . . ?
C7 Mo1 Sb1B 156.1(2) . . ?
C4 Mo1 Sb1A 103.98(14) . . ?
C4 Mo1 Mo2 84.44(11) . . ?
C4 Mo1 As1A 137.5(2) . . ?
C4 Mo1 As1B 107.4(3) . . ?
C4 Mo1 Sb1B 138.6(2) . . ?
C3 Mo1 Sb1A 138.82(14) . . ?
C3 Mo1 Mo2 105.53(12) . . ?
C3 Mo1 As1A 146.71(19) . . ?
C3 Mo1 C4 34.90(16) . . ?
C3 Mo1 C5 58.46(16) . . ?
C3 Mo1 As1B 142.3(3) . . ?
C3 Mo1 Sb1B 143.9(2) . . ?
C5 Mo1 Sb1A 85.39(12) . . ?
C5 Mo1 Mo2 99.18(12) . . ?
C5 Mo1 As1A 140.59(17) . . ?
C5 Mo1 C4 34.77(16) . . ?
C5 Mo1 As1B 90.6(2) . . ?
C5 Mo1 Sb1B 144.5(2) . . ?
C6 Mo1 Sb1A 103.15(13) . . ?
C6 Mo1 Mo2 134.31(12) . . ?
C6 Mo1 As1A 154.07(18) . . ?
C6 Mo1 C4 58.34(17) . . ?
C6 Mo1 C3 59.14(16) . . ?
C6 Mo1 C5 35.17(17) . . ?
C6 Mo1 As1B 108.78(19) . . ?
C6 Mo1 Sb1B 156.8(2) . . ?
As1B Mo1 Mo2 54.9(2) . . ?
As1B Mo1 Sb1B 55.6(2) . . ?
Sb1B Mo1 Mo2 54.5(2) . . ?
Sb1A Mo2 Mo1 54.80(7) . . ?
As1A Mo2 Sb1A 56.39(13) . . ?
As1A Mo2 Mo1 55.26(15) . . ?
C8 Mo2 Sb1A 76.70(15) . . ?
C8 Mo2 Mo1 130.41(13) . . ?
C8 Mo2 As1A 91.3(2) . . ?
C8 Mo2 C11 142.61(17) . . ?
C8 Mo2 C12 117.32(19) . . ?
C8 Mo2 C9 89.01(19) . . ?
C8 Mo2 C10 118.79(18) . . ?
C8 Mo2 C13 85.89(19) . . ?
C8 Mo2 C14 86.31(18) . . ?
C8 Mo2 As1B 77.3(3) . . ?
C8 Mo2 Sb1B 91.9(3) . . ?
C11 Mo2 Sb1A 140.13(13) . . ?
C11 Mo2 Mo1 85.37(11) . . ?
C11 Mo2 As1A 104.77(18) . . ?
C11 Mo2 As1B 138.7(3) . . ?
C11 Mo2 Sb1B 101.5(2) . . ?
C12 Mo2 Sb1A 139.29(13) . . ?
C12 Mo2 Mo1 96.44(12) . . ?
C12 Mo2 As1A 84.10(17) . . ?
C12 Mo2 C11 35.06(15) . . ?
C12 Mo2 As1B 134.8(2) . . ?
C12 Mo2 Sb1B 79.5(2) . . ?
C9 Mo2 Sb1A 71.53(15) . . ?
C9 Mo2 Mo1 85.30(13) . . ?
C9 Mo2 As1A 126.19(18) . . ?
C9 Mo2 C11 106.85(17) . . ?
C9 Mo2 C12 140.85(17) . . ?
C9 Mo2 C10 84.05(17) . . ?
C9 Mo2 C13 133.67(19) . . ?
C9 Mo2 C14 97.96(19) . . ?
C9 Mo2 As1B 76.2(2) . . ?
C9 Mo2 Sb1B 131.1(2) . . ?
C10 Mo2 Sb1A 151.25(14) . . ?
C10 Mo2 Mo1 109.52(13) . . ?
C10 Mo2 As1A 139.14(18) . . ?
C10 Mo2 C11 34.74(16) . . ?
C10 Mo2 C12 58.41(16) . . ?
C10 Mo2 As1B 154.5(3) . . ?
C10 Mo2 Sb1B 135.4(2) . . ?
C13 Mo2 Sb1A 149.55(14) . . ?
C13 Mo2 Mo1 130.84(13) . . ?
C13 Mo2 As1A 99.97(18) . . ?
C13 Mo2 C11 58.49(16) . . ?
C13 Mo2 C12 34.96(17) . . ?
C13 Mo2 C10 59.17(17) . . ?
C13 Mo2 As1B 145.8(2) . . ?
C13 Mo2 Sb1B 95.2(2) . . ?
C14 Mo2 Sb1A 159.95(14) . . ?
C14 Mo2 Mo1 143.27(12) . . ?
C14 Mo2 As1A 135.77(18) . . ?
C14 Mo2 C11 58.55(16) . . ?
C14 Mo2 C12 58.69(17) . . ?
C14 Mo2 C10 35.68(17) . . ?
C14 Mo2 C13 35.79(18) . . ?
C14 Mo2 As1B 162.6(3) . . ?
C14 Mo2 Sb1B 130.9(2) . . ?
As1B Mo2 Mo1 53.5(2) . . ?
As1B Mo2 Sb1B 56.5(2) . . ?
Sb1B Mo2 Mo1 58.0(2) . . ?
Sb1A As1A Mo1 62.83(14) . . ?
Sb1A As1A Mo2 66.67(17) . . ?
Mo2 As1A Mo1 71.71(17) . . ?
Cu1 As1A Sb1A 63.45(16) . . ?
Cu1 As1A Mo1 115.7(2) . . ?
Cu1 As1A Mo2 114.5(2) . . ?
I1 Cu1 I1 108.072(19) . 3_566 ?
I1 Cu1 Sb1A 115.34(7) . . ?
I1 Cu1 Sb1A 125.07(8) 3_566 . ?
I1 Cu1 Cu1 54.878(17) . 3_566 ?
I1 Cu1 Cu1 53.194(17) 3_566 3_566 ?
Sb1A Cu1 Cu1 148.75(6) . 3_566 ?
As1A Cu1 I1 108.79(16) . 3_566 ?
As1A Cu1 I1 134.11(18) . . ?
As1A Cu1 Sb1A 60.50(13) . . ?
As1A Cu1 Cu1 149.70(12) . 3_566 ?
As1B Cu1 I1 119.5(2) . . ?
As1B Cu1 Cu1 154.09(18) . 3_566 ?
As1B Cu1 Sb1B 60.2(2) . . ?
Sb1B Cu1 I1 133.6(2) . . ?
Sb1B Cu1 Cu1 144.26(17) . 3_566 ?
Cl1B Cl1A C15A 29.3(6) . . ?
C15A Cl2A Cl1B 22.3(4) . . ?
Cl2B Cl2A C15A 119.8(7) . . ?
Cl2B Cl2A C15B 129.2(14) . . ?
Cl2B Cl2A Cl1B 109.6(6) . . ?
C15B Cl2A C15A 18.7(7) . . ?
C15B Cl2A Cl1B 40.7(8) . . ?
O1 C1 Mo1 174.6(4) . . ?
O3 C8 Mo2 173.4(4) . . ?
O2 C2 Mo1 174.4(4) . . ?
Mo2 C11 H11 122.6 . . ?
C12 C11 Mo2 71.5(2) . . ?
C12 C11 H11 126.0 . . ?
C10 C11 Mo2 71.5(2) . . ?
C10 C11 H11 126.0 . . ?
C10 C11 C12 108.0(4) . . ?
Mo2 C12 H12 121.3 . . ?
C11 C12 Mo2 73.4(2) . . ?
C11 C12 H12 125.8 . . ?
C13 C12 Mo2 71.2(3) . . ?
C13 C12 C11 108.4(4) . . ?
C13 C12 H12 125.8 . . ?
O4 C9 Mo2 175.3(4) . . ?
Mo2 C10 H10 121.0 . . ?
C11 C10 Mo2 73.7(2) . . ?
C11 C10 H10 126.1 . . ?
C11 C10 C14 107.8(4) . . ?
C14 C10 Mo2 70.9(2) . . ?
C14 C10 H10 126.1 . . ?
Mo2 C13 H13 119.9 . . ?
C12 C13 Mo2 73.9(3) . . ?
C12 C13 H13 126.0 . . ?
C12 C13 C14 108.1(4) . . ?
C14 C13 Mo2 72.0(3) . . ?
C14 C13 H13 126.0 . . ?
Mo1 C7 H7 119.5 . . ?
C3 C7 Mo1 73.3(2) . . ?
C3 C7 H7 126.5 . . ?
C3 C7 C6 107.1(4) . . ?
C6 C7 Mo1 72.7(3) . . ?
C6 C7 H7 126.5 . . ?
Mo1 C4 H4 123.5 . . ?
C3 C4 Mo1 70.4(3) . . ?
C3 C4 H4 126.0 . . ?
C3 C4 C5 107.9(4) . . ?
C5 C4 Mo1 71.7(3) . . ?
C5 C4 H4 126.0 . . ?
Mo2 C14 H14 120.1 . . ?
C10 C14 Mo2 73.4(3) . . ?
C10 C14 H14 126.2 . . ?
C13 C14 Mo2 72.2(2) . . ?
C13 C14 C10 107.7(4) . . ?
C13 C14 H14 126.2 . . ?
Mo1 C3 H3 120.4 . . ?
C7 C3 Mo1 70.9(2) . . ?
C7 C3 H3 125.8 . . ?
C4 C3 Mo1 74.7(2) . . ?
C4 C3 C7 108.5(4) . . ?
C4 C3 H3 125.8 . . ?
Mo1 C5 H5 121.5 . . ?
C4 C5 Mo1 73.6(3) . . ?
C4 C5 H5 126.0 . . ?
C6 C5 Mo1 70.6(3) . . ?
C6 C5 C4 108.1(4) . . ?
C6 C5 H5 126.0 . . ?
Mo1 C6 H6 120.4 . . ?
C7 C6 Mo1 71.3(3) . . ?
C7 C6 H6 125.8 . . ?
C5 C6 Mo1 74.2(3) . . ?
C5 C6 C7 108.4(4) . . ?
C5 C6 H6 125.8 . . ?
Cl1A C15A H15A 109.2 . . ?
Cl1A C15A H15B 109.2 . . ?
Cl2A C15A Cl1A 112.0(6) . . ?
Cl2A C15A H15A 109.2 . . ?
Cl2A C15A H15B 109.2 . . ?
H15A C15A H15B 107.9 . . ?
C15B C15A Cl1A 133.6(11) . . ?
C15B C15A Cl2A 23.0(9) . . ?
C15B C15A H15A 91.5 . . ?
C15B C15A H15B 102.6 . . ?
C15B C15A Cl1B 139.8(16) . . ?
Cl1B C15A Cl1A 28.3(7) . . ?
Cl1B C15A Cl2A 117.6(10) . . ?
Cl1B C15A H15A 125.8 . . ?
Cl1B C15A H15B 81.6 . . ?
Cl2A Cl2B C15B 26.5(8) . . ?
Cl2A C15B Cl2B 24.3(6) . . ?
Cl2A C15B H15C 85.9 . . ?
Cl2A C15B H15D 121.9 . . ?
Cl2A C15B Cl1B 116.9(12) . . ?
C15A C15B Cl2A 138.4(16) . . ?
C15A C15B Cl2B 124.8(14) . . ?
C15A C15B H15C 111.4 . . ?
C15A C15B H15D 89.4 . . ?
C15A C15B Cl1B 22.2(9) . . ?
Cl2B C15B H15C 110.1 . . ?
Cl2B C15B H15D 110.1 . . ?
H15C C15B H15D 108.4 . . ?
Cl1B C15B Cl2B 108.0(9) . . ?
Cl1B C15B H15C 110.1 . . ?
Cl1B C15B H15D 110.1 . . ?
Cl1A Cl1B Cl2A 111.5(6) . . ?
Cl1A Cl1B C15A 122.4(12) . . ?
Cl1A Cl1B C15B 121.6(10) . . ?
C15A Cl1B Cl2A 40.1(7) . . ?
C15A Cl1B C15B 18.0(8) . . ?
C15B Cl1B Cl2A 22.4(5) . . ?
Mo1 As1B Mo2 71.6(2) . . ?
Cu1 As1B Mo1 115.6(4) . . ?
Cu1 As1B Mo2 110.3(3) . . ?
Cu1 As1B Sb1B 60.5(3) . . ?
Sb1B As1B Mo1 66.5(3) . . ?
Sb1B As1B Mo2 62.9(3) . . ?
Mo2 Sb1B Mo1 67.6(2) . . ?
Cu1 Sb1B Mo1 107.5(3) . . ?
Cu1 Sb1B Mo2 107.6(3) . . ?
As1B Sb1B Mo1 57.9(3) . . ?
As1B Sb1B Mo2 60.6(3) . . ?
As1B Sb1B Cu1 59.3(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.932
_oxdiff_exptl_absorpt_empirical_full_min 0.719
####################################################################### 
# 
# 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_ems_634_2_ap_abs
_database_code_depnum_ccdc_archive 'CCDC 2330296'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-02-01 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2018-03-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.02.02 svn.r3481 for OlexSys, GUI svn.r5470)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C28 H20 As2 Br2 Cu2 Mo4 O8 Sb2)'
_chemical_formula_sum            'C56 H40 As4 Br4 Cu4 Mo8 O16 Sb4'
_chemical_formula_weight         3096.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         C56H40As4Br4Cu4Mo8O16Sb4
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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
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'
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      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                   14.9733(4)
_cell_length_b                   15.0851(5)
_cell_length_c                   17.3390(5)
_cell_angle_alpha                89.022(2)
_cell_angle_beta                 88.933(2)
_cell_angle_gamma                70.588(3)
_cell_volume                     3692.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17564
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      32.0200
_cell_measurement_theta_min      3.7110
_shelx_estimated_absorpt_T_max   0.507
_shelx_estimated_absorpt_T_min   0.291
_exptl_absorpt_coefficient_mu    7.867
_exptl_absorpt_correction_T_max  0.576
_exptl_absorpt_correction_T_min  0.304
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.785
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2864
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
10 21 2 0.0402
8 -12 13 0.0835
-13 -20 -5 0.0426
-15 2 -16 0.0934
15 19 0 0.0581
-13 1 18 0.0902
-15 -19 1 0.0498
-9 -20 -10 0.0426
-1 -15 -16 0.0534
9 18 -12 0.0603
-20 -2 -3 0.0954
5 -18 -2 0.0689
20 11 5 0.0850
8 20 9 0.0581

_exptl_crystal_size_max          0.208
_exptl_crystal_size_mid          0.202
_exptl_crystal_size_min          0.1
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
9.9031 21.0052 1.6125 -0.0487 -0.1893 0.9807
7.7785 -12.4894 13.2965 0.2241 0.9326 -0.2830
-12.9874 -19.6418 -5.3954 -0.0076 -0.0466 -0.9989
-14.5651 1.7902 -15.9353 -0.2242 -0.9407 -0.2548
15.3488 18.8856 -0.4841 -0.2665 0.0660 0.9616
-12.6868 0.6921 18.3788 0.9722 -0.2327 -0.0261
-15.4731 -18.7845 0.7682 0.2804 -0.0693 -0.9574
-8.5152 -19.5401 -9.7261 -0.2702 0.0624 -0.9608
-1.0000 -14.9998 -15.9998 -0.6485 0.1314 -0.7179
9.0000 18.0000 -12.0001 -0.5404 -0.3733 0.7525
-20.0000 -2.0000 -2.9999 0.3516 -0.8294 -0.3905
5.0000 -17.9999 -1.9999 -0.2995 0.7162 -0.6489
20.0000 11.0000 4.9999 -0.2246 0.5934 0.7584
8.0000 19.9999 8.9998 0.2587 -0.1104 0.9662

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.870
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            47078
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.870
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.478
_diffrn_reflns_theta_min         3.319
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2548
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.870
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):
  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -93.00  11.00   0.50   90.00    --  -18.71 -57.00   0.00  208
  2  ω    -97.00  15.00   0.50   90.00    --  -18.71 -77.00-120.00  224
  3  ω   -100.00  28.00   0.50   90.00    --  -18.71 -19.00  60.00  256
  4  ω     53.00  92.00   0.50   90.00    --   19.49-178.00 150.00   78
  5  ω     53.00 108.00   0.50   90.00    --   19.49-178.00 -90.00  110
;
_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      -0.0236384000
_diffrn_orient_matrix_UB_12      0.0060332000
_diffrn_orient_matrix_UB_13      0.0363530000
_diffrn_orient_matrix_UB_21      0.0418732000
_diffrn_orient_matrix_UB_22      -0.0300896000
_diffrn_orient_matrix_UB_23      0.0173764000
_diffrn_orient_matrix_UB_31      0.0145257000
_diffrn_orient_matrix_UB_32      0.0392932000
_diffrn_orient_matrix_UB_33      0.0071256000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19680
_reflns_number_total             23201
_reflns_odcompleteness_completeness 98.73
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.133
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.247
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         23201
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.247
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²+6.4969P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0801
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 Sb1A-As1A \\sim Sb1B-As1B
 with sigma of 0.01
 Sb2A-As2A \\sim Sb2B-As2B
 with sigma of 0.01
 Sb3A-As3A \\sim Sb3B-As3B
 with sigma of 0.01
 Sb4B-As4B \\sim Sb4A-As4A
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Br2A \\sim Br2B: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.01
C22A \\sim C22B: within 1.3A with sigma of 0.02 and sigma for terminal atoms of
0.02
4. Others
 Sof(As1B)=Sof(Sb1B)=1-FVAR(1)
 Sof(Sb1A)=Sof(As1A)=FVAR(1)
 Sof(As2B)=Sof(Sb2B)=1-FVAR(2)
 Sof(Sb2A)=Sof(As2A)=FVAR(2)
 Sof(Sb3B)=Sof(As3B)=1-FVAR(3)
 Sof(As3A)=Sof(Sb3A)=FVAR(3)
 Sof(As4B)=Sof(Sb4B)=1-FVAR(4)
 Sof(Sb4A)=Sof(As4A)=FVAR(4)
 Sof(Br1B)=1-FVAR(5)
 Sof(Br1A)=FVAR(5)
 Sof(Br2B)=1-FVAR(6)
 Sof(Br2A)=FVAR(6)
 Sof(Br0J)=1-FVAR(7)
 Sof(Br3B)=FVAR(7)
 Sof(Br4B)=1-FVAR(8)
 Sof(Br4A)=FVAR(8)
 Sof(C22B)=Sof(O7B)=1-FVAR(9)
 Sof(C22A)=Sof(O7A)=FVAR(9)
5.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C20(H20), C45(H45), C12(H12), C11(H11), C34(H34), C49(H49), C13(H13),
 C41(H41), C48(H48), C53(H53), C39(H39), C19(H19), C38(H38), C54(H54), C42(H42),
  C32(H32), C14(H14), C21(H21), C3(H3), C40(H40), C17(H17), C18(H18), C10(H10),
 C33(H33), C5(H5), C4(H4), C6(H6), C55(H55), C52(H52), C46(H46), C47(H47),
 C35(H35), C31(H31), C56(H56), C25(H25), C24(H24), C27(H27), C28(H28), C26(H26)
;
_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
Sb4A Sb 0.1131(3) 1.2305(3) 0.7316(3) 0.0190(4) Uani 0.606(3) 1 d D . P A 1
Mo2 Mo 0.94419(3) 0.36343(3) 0.39954(2) 0.01496(8) Uani 1 1 d . . . . .
Sb1A Sb 0.8170(4) 0.3329(4) 0.2994(4) 0.0199(5) Uani 0.558(3) 1 d D . P B 1
Mo5 Mo 0.49553(3) 0.69935(3) 0.45624(2) 0.01549(8) Uani 1 1 d . . . . .
Mo3 Mo 0.61297(3) 0.69804(3) -0.15152(2) 0.01561(8) Uani 1 1 d . . . . .
Mo6 Mo 0.44219(3) 0.86714(3) 0.33994(2) 0.01660(8) Uani 1 1 d . . . . .
Mo8 Mo 0.11309(3) 1.19589(3) 0.89169(2) 0.01678(8) Uani 1 1 d . . . . .
Mo1 Mo 0.99536(3) 0.19555(3) 0.28627(2) 0.01553(8) Uani 1 1 d . . . . .
Mo7 Mo -0.06259(3) 1.24922(3) 0.78664(2) 0.01465(7) Uani 1 1 d . . . . .
As1A As 0.9617(6) 0.3706(6) 0.2430(6) 0.0246(12) Uani 0.558(3) 1 d D . P B 1
As3A As 0.4653(8) 0.8745(7) 0.4984(4) 0.0317(19) Uani 0.432(3) 1 d D . P A 1
Sb2A Sb 0.6164(7) 0.7238(5) 0.0122(4) 0.0189(6) Uani 0.460(3) 1 d D . P C 1
Sb3A Sb 0.3170(6) 0.8444(7) 0.4440(6) 0.0208(7) Uani 0.432(3) 1 d D . P A 1
As4A As 0.0814(7) 1.0849(6) 0.7911(6) 0.0205(10) Uani 0.606(3) 1 d D . P A 1
As2A As 0.5931(6) 0.5775(7) -0.0487(7) 0.0260(10) Uani 0.460(3) 1 d D . P C 1
Mo4 Mo 0.43989(3) 0.74670(3) -0.04083(2) 0.02286(9) Uani 1 1 d . . . . .
Br2A Br 0.8184(6) 0.4154(5) 0.0476(3) 0.0328(7) Uani 0.82(5) 1 d . U P B 1
Br3B Br 0.1804(9) 1.0915(4) 0.5368(4) 0.0395(11) Uani 0.71(5) 1 d . . P A 1
Cu2 Cu 0.68784(5) 0.56017(5) 0.06437(4) 0.03056(15) Uani 1 1 d . . . . .
Cu4 Cu 0.18612(5) 1.06745(5) 0.67408(4) 0.03205(16) Uani 1 1 d . . . . .
Cu1 Cu 0.80742(5) 0.44184(5) 0.18421(4) 0.03352(16) Uani 1 1 d . . . . .
Br4A Br 0.3225(7) 0.9287(8) 0.6966(2) 0.0438(15) Uani 0.78(5) 1 d . . P A 1
Cu3 Cu 0.31058(5) 0.94635(5) 0.55874(4) 0.03541(17) Uani 1 1 d . . . . .
Br1A Br 0.6866(8) 0.5876(3) 0.2021(3) 0.0397(12) Uani 0.53(4) 1 d . . P B 1
O13 O -0.1335(3) 1.1116(3) 0.8887(2) 0.0303(8) Uani 1 1 d . . . . .
O14 O -0.0991(3) 1.1466(3) 0.6417(2) 0.0320(9) Uani 1 1 d . . . . .
O3 O 0.8684(3) 0.5791(3) 0.3659(2) 0.0321(9) Uani 1 1 d . . . . .
O4 O 1.1484(3) 0.3714(3) 0.3716(2) 0.0366(9) Uani 1 1 d . . . . .
O9 O 0.3900(3) 0.6672(3) 0.6051(2) 0.0354(9) Uani 1 1 d . . . . .
O5 O 0.6242(3) 0.8977(3) -0.1222(2) 0.0341(9) Uani 1 1 d . . . . .
O2 O 0.8824(3) 0.1625(3) 0.1463(2) 0.0366(9) Uani 1 1 d . . . . .
O6 O 0.8294(3) 0.6183(3) -0.1167(2) 0.0359(9) Uani 1 1 d . . . . .
O12 O 0.3749(3) 1.0836(3) 0.3680(3) 0.0394(10) Uani 1 1 d . . . . .
O10 O 0.3630(3) 0.6177(3) 0.3648(2) 0.0371(10) Uani 1 1 d . . . . .
O16 O 0.3295(3) 1.1246(3) 0.8501(2) 0.0378(10) Uani 1 1 d . . . . .
O1 O 0.8792(3) 0.1111(3) 0.4001(3) 0.0467(11) Uani 1 1 d . . . . .
C16 C 0.6189(3) 0.8246(3) -0.1292(3) 0.0223(10) Uani 1 1 d . . . . .
O8 O 0.3980(4) 0.6447(3) 0.1063(2) 0.0526(13) Uani 1 1 d . . . . .
C9 C 1.0736(4) 0.3660(3) 0.3772(3) 0.0243(10) Uani 1 1 d . . . . .
C43 C -0.1033(3) 1.1594(3) 0.8514(3) 0.0203(9) Uani 1 1 d . . . . .
C30 C 0.4082(4) 0.6528(3) 0.3974(3) 0.0239(10) Uani 1 1 d . . . . .
C2 C 0.9204(4) 0.1776(4) 0.1992(3) 0.0248(10) Uani 1 1 d . . . . .
C8 C 0.8957(3) 0.4989(4) 0.3745(3) 0.0223(10) Uani 1 1 d . . . . .
O15 O 0.1067(4) 1.4044(3) 0.8714(4) 0.0645(16) Uani 1 1 d . . . . .
C1 C 0.9176(4) 0.1457(4) 0.3585(3) 0.0288(11) Uani 1 1 d . . . . .
O11 O 0.6544(3) 0.8534(4) 0.3501(3) 0.0587(15) Uani 1 1 d . . . . .
C7 C 1.1532(3) 0.1509(3) 0.3305(3) 0.0211(10) Uani 1 1 d . . . . .
H7 H 1.171427 0.181336 0.371938 0.025 Uiso 1 1 calc R . . . .
C37 C 0.4005(4) 1.0034(4) 0.3625(3) 0.0297(12) Uani 1 1 d . . . . .
C36 C 0.5762(4) 0.8608(4) 0.3509(3) 0.0340(13) Uani 1 1 d . . . . .
C15 C 0.7491(4) 0.6472(3) -0.1263(3) 0.0241(10) Uani 1 1 d . . . . .
C20 C 0.5550(3) 0.7597(4) -0.2719(3) 0.0244(10) Uani 1 1 d . . . . .
H20 H 0.529183 0.825675 -0.280457 0.029 Uiso 1 1 calc R . . . .
C45 C -0.2130(3) 1.3551(3) 0.7721(3) 0.0238(10) Uani 1 1 d . . . . .
H45 H -0.263782 1.334047 0.758698 0.029 Uiso 1 1 calc R . . . .
C12 C 1.0010(4) 0.3153(3) 0.5229(3) 0.0226(10) Uani 1 1 d . . . . .
H12 H 1.066710 0.296586 0.533677 0.027 Uiso 1 1 calc R . . . .
C44 C -0.0819(4) 1.1817(3) 0.6952(3) 0.0229(10) Uani 1 1 d . . . . .
C51 C 0.2492(4) 1.1517(4) 0.8616(3) 0.0262(11) Uani 1 1 d . . . . .
C29 C 0.4256(3) 0.6846(3) 0.5503(3) 0.0220(10) Uani 1 1 d . . . . .
C11 C 0.9369(4) 0.4077(3) 0.5261(3) 0.0233(10) Uani 1 1 d . . . . .
H11 H 0.951625 0.462193 0.539041 0.028 Uiso 1 1 calc R . . . .
C34 C 0.6019(4) 0.5535(4) 0.4842(3) 0.0285(11) Uani 1 1 d . . . . .
H34 H 0.579768 0.505851 0.505027 0.034 Uiso 1 1 calc R . . . .
C49 C -0.1840(3) 1.3666(3) 0.8480(3) 0.0223(10) Uani 1 1 d . . . . .
H49 H -0.211983 1.353329 0.894478 0.027 Uiso 1 1 calc R . . . .
C13 C 0.9511(4) 0.2549(3) 0.5011(3) 0.0237(10) Uani 1 1 d . . . . .
H13 H 0.977531 0.188937 0.493878 0.028 Uiso 1 1 calc R . . . .
C41 C 0.4949(4) 0.8057(4) 0.2186(3) 0.0276(11) Uani 1 1 d . . . . .
H41 H 0.560297 0.775303 0.207887 0.033 Uiso 1 1 calc R . . . .
C48 C -0.1073(4) 1.4005(3) 0.8432(3) 0.0255(11) Uani 1 1 d . . . . .
H48 H -0.074515 1.414312 0.885333 0.031 Uiso 1 1 calc R . . . .
C53 C 0.0087(4) 1.1919(4) 0.9955(3) 0.0259(11) Uani 1 1 d . . . . .
H53 H -0.058153 1.212464 0.990582 0.031 Uiso 1 1 calc R . . . .
C39 C 0.3403(4) 0.8321(4) 0.2530(3) 0.0286(11) Uani 1 1 d . . . . .
H39 H 0.283524 0.821989 0.269538 0.034 Uiso 1 1 calc R . . . .
C50 C 0.1099(4) 1.3282(4) 0.8747(3) 0.0322(12) Uani 1 1 d . . . . .
C19 C 0.6525(4) 0.7047(4) -0.2794(3) 0.0263(11) Uani 1 1 d . . . . .
H19 H 0.703001 0.726904 -0.293506 0.032 Uiso 1 1 calc R . . . .
C38 C 0.3498(4) 0.9190(4) 0.2331(3) 0.0294(12) Uani 1 1 d . . . . .
H38 H 0.300528 0.978115 0.233825 0.035 Uiso 1 1 calc R . . . .
C54 C 0.0633(4) 1.2476(4) 1.0157(3) 0.0322(12) Uani 1 1 d . . . . .
H54 H 0.039192 1.312863 1.026645 0.039 Uiso 1 1 calc R . . . .
C42 C 0.4455(4) 0.9033(4) 0.2116(3) 0.0271(11) Uani 1 1 d . . . . .
H42 H 0.471804 0.949947 0.195344 0.033 Uiso 1 1 calc R . . . .
C32 C 0.6491(3) 0.6489(4) 0.3985(3) 0.0281(11) Uani 1 1 d . . . . .
H32 H 0.663867 0.675808 0.352148 0.034 Uiso 1 1 calc R . . . .
C14 C 0.8554(4) 0.3101(4) 0.4918(3) 0.0274(11) Uani 1 1 d . . . . .
H14 H 0.805757 0.287522 0.478168 0.033 Uiso 1 1 calc R . . . .
C21 C 0.5034(4) 0.7011(4) -0.2500(3) 0.0279(11) Uani 1 1 d . . . . .
H21 H 0.436948 0.719913 -0.240945 0.033 Uiso 1 1 calc R . . . .
C3 C 1.1538(3) 0.1754(3) 0.2515(3) 0.0233(10) Uani 1 1 d . . . . .
H3 H 1.173331 0.224714 0.230583 0.028 Uiso 1 1 calc R . . . .
C40 C 0.4304(4) 0.7617(4) 0.2441(3) 0.0281(11) Uani 1 1 d . . . . .
H40 H 0.444494 0.696350 0.253787 0.034 Uiso 1 1 calc R . . . .
C17 C 0.5692(4) 0.6074(4) -0.2438(3) 0.0332(13) Uani 1 1 d . . . . .
H17 H 0.554094 0.552798 -0.230011 0.040 Uiso 1 1 calc R . . . .
C18 C 0.6597(4) 0.6106(4) -0.2618(3) 0.0322(12) Uani 1 1 d . . . . .
H18 H 0.716548 0.558230 -0.262079 0.039 Uiso 1 1 calc R . . . .
C10 C 0.8457(4) 0.4048(4) 0.5064(3) 0.0275(11) Uani 1 1 d . . . . .
H10 H 0.788854 0.456985 0.503585 0.033 Uiso 1 1 calc R . . . .
C33 C 0.6153(4) 0.5711(4) 0.4047(3) 0.0279(11) Uani 1 1 d . . . . .
H33 H 0.603776 0.536854 0.362819 0.033 Uiso 1 1 calc R . . . .
C5 C 1.1007(4) 0.0500(4) 0.2616(3) 0.0269(11) Uani 1 1 d . . . . .
H5 H 1.077999 0.000475 0.248661 0.032 Uiso 1 1 calc R . . . .
C4 C 1.1206(3) 0.1140(4) 0.2091(3) 0.0262(11) Uani 1 1 d . . . . .
H4 H 1.112905 0.115480 0.154820 0.031 Uiso 1 1 calc R . . . .
C6 C 1.1207(4) 0.0730(3) 0.3371(3) 0.0252(10) Uani 1 1 d . . . . .
H6 H 1.113518 0.041715 0.383579 0.030 Uiso 1 1 calc R . . . .
C55 C 0.1589(4) 1.1915(5) 1.0171(3) 0.0357(13) Uani 1 1 d . . . . .
H55 H 0.210434 1.212006 1.029261 0.043 Uiso 1 1 calc R . . . .
C52 C 0.0713(4) 1.1001(4) 0.9839(3) 0.0319(12) Uani 1 1 d . . . . .
H52 H 0.054022 1.047510 0.969497 0.038 Uiso 1 1 calc R . . . .
C46 C -0.1517(4) 1.3812(3) 0.7207(3) 0.0283(11) Uani 1 1 d . . . . .
H46 H -0.153297 1.379332 0.666032 0.034 Uiso 1 1 calc R . . . .
C23 C 0.4178(4) 0.6776(4) 0.0519(3) 0.0358(13) Uani 1 1 d . . . . .
C47 C -0.0879(4) 1.4105(4) 0.7634(3) 0.0309(12) Uani 1 1 d . . . . .
H47 H -0.040135 1.432908 0.742688 0.037 Uiso 1 1 calc R . . . .
C35 C 0.6281(4) 0.6208(4) 0.5263(3) 0.0328(13) Uani 1 1 d . . . . .
H35 H 0.626533 0.625761 0.580893 0.039 Uiso 1 1 calc R . . . .
C31 C 0.6565(4) 0.6787(4) 0.4744(3) 0.0311(12) Uani 1 1 d . . . . .
H31 H 0.677199 0.729373 0.487794 0.037 Uiso 1 1 calc R . . . .
C56 C 0.1652(4) 1.0995(4) 0.9974(3) 0.0357(14) Uani 1 1 d . . . . .
H56 H 0.221514 1.046701 0.993696 0.043 Uiso 1 1 calc R . . . .
C25 C 0.3475(4) 0.8741(4) 0.0265(3) 0.0401(15) Uani 1 1 d . . . . .
H25 H 0.343310 0.869957 0.081129 0.048 Uiso 1 1 calc R . . . .
C24 C 0.4129(4) 0.9053(4) -0.0147(4) 0.0393(14) Uani 1 1 d . . . . .
H24 H 0.460314 0.925752 0.007134 0.047 Uiso 1 1 calc R . . . .
C27 C 0.3210(4) 0.8664(5) -0.1011(3) 0.0426(16) Uani 1 1 d . . . . .
H27 H 0.295080 0.855316 -0.148121 0.051 Uiso 1 1 calc R . . . .
C28 C 0.3963(4) 0.9012(4) -0.0950(3) 0.0372(14) Uani 1 1 d . . . . .
H28 H 0.429874 0.918640 -0.136269 0.045 Uiso 1 1 calc R . . . .
C26 C 0.2892(4) 0.8500(6) -0.0257(3) 0.0507(19) Uani 1 1 d . . . . .
H26 H 0.238567 0.827254 -0.013436 0.061 Uiso 1 1 calc R . . . .
As1B As 0.8267(7) 0.3409(9) 0.3007(8) 0.0228(14) Uani 0.442(3) 1 d D . P B 2
Sb1B Sb 0.9716(5) 0.3735(4) 0.2385(5) 0.0192(5) Uani 0.442(3) 1 d D . P B 2
As2B As 0.6122(9) 0.7170(7) 0.0013(6) 0.0197(9) Uani 0.540(3) 1 d D . P C 2
Sb2B Sb 0.5761(4) 0.5732(4) -0.0508(4) 0.0251(5) Uani 0.540(3) 1 d D . P C 2
Sb3B Sb 0.4748(4) 0.8785(3) 0.49639(18) 0.0217(4) Uani 0.568(3) 1 d D . P A 2
As3B As 0.3277(7) 0.8406(8) 0.4491(7) 0.0196(9) Uani 0.568(3) 1 d D . P A 2
As4B As 0.1144(7) 1.2238(8) 0.7385(7) 0.0269(18) Uani 0.394(3) 1 d D . P A 2
Sb4B Sb 0.0884(7) 1.0719(7) 0.7896(6) 0.0197(8) Uani 0.394(3) 1 d D . P A 2
Br1B Br 0.6557(16) 0.5749(11) 0.2008(4) 0.063(4) Uani 0.47(4) 1 d . . P B 2
Br2B Br 0.8319(17) 0.428(2) 0.0418(12) 0.028(3) Uani 0.18(5) 1 d . U P B 2
Br0J Br 0.200(2) 1.0991(17) 0.5339(10) 0.045(3) Uani 0.29(5) 1 d . . P A 2
Br4B Br 0.3057(14) 0.9093(14) 0.6953(7) 0.030(2) Uani 0.22(5) 1 d . . P A 2
C22A C 0.385(2) 0.678(3) -0.1070(15) 0.031(4) Uani 0.55(8) 1 d . U P C 2
O7A O 0.352(2) 0.638(3) -0.1483(12) 0.052(6) Uani 0.55(8) 1 d . . P C 2
C22B C 0.410(3) 0.647(3) -0.1056(16) 0.023(5) Uani 0.45(8) 1 d . U P C 3
O7B O 0.386(3) 0.599(3) -0.1435(16) 0.052(7) Uani 0.45(8) 1 d . . P C 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
Sb4A Mo8 2.816(6) . ?
Sb4A Mo7 2.707(4) . ?
Sb4A As4A 2.590(5) . ?
Sb4A Cu4 2.548(5) . ?
Mo2 Sb1A 2.754(7) . ?
Mo2 Mo1 3.1116(6) . ?
Mo2 As1A 2.726(11) . ?
Mo2 C9 1.983(5) . ?
Mo2 C8 1.972(5) . ?
Mo2 C12 2.331(5) . ?
Mo2 C11 2.295(5) . ?
Mo2 C13 2.363(5) . ?
Mo2 C14 2.359(5) . ?
Mo2 C10 2.307(5) . ?
Mo2 As1B 2.584(13) . ?
Mo2 Sb1B 2.823(8) . ?
Sb1A Mo1 2.792(5) . ?
Sb1A As1A 2.588(6) . ?
Sb1A Cu1 2.541(7) . ?
Mo5 Mo6 3.1067(5) . ?
Mo5 As3A 2.642(10) . ?
Mo5 Sb3A 2.845(10) . ?
Mo5 C30 1.983(5) . ?
Mo5 C29 1.971(5) . ?
Mo5 C34 2.297(5) . ?
Mo5 C32 2.376(5) . ?
Mo5 C33 2.335(5) . ?
Mo5 C35 2.301(5) . ?
Mo5 C31 2.351(5) . ?
Mo5 Sb3B 2.717(5) . ?
Mo5 As3B 2.705(11) . ?
Mo3 Sb2A 2.876(7) . ?
Mo3 As2A 2.608(11) . ?
Mo3 Mo4 3.0882(6) . ?
Mo3 C16 1.985(5) . ?
Mo3 C15 1.979(5) . ?
Mo3 C20 2.333(5) . ?
Mo3 C19 2.294(5) . ?
Mo3 C21 2.380(5) . ?
Mo3 C17 2.360(5) . ?
Mo3 C18 2.304(5) . ?
Mo3 As2B 2.669(9) . ?
Mo3 Sb2B 2.728(6) . ?
Mo6 As3A 2.784(7) . ?
Mo6 Sb3A 2.677(10) . ?
Mo6 C37 1.983(6) . ?
Mo6 C36 1.990(5) . ?
Mo6 C41 2.329(5) . ?
Mo6 C39 2.352(5) . ?
Mo6 C38 2.300(5) . ?
Mo6 C42 2.286(5) . ?
Mo6 C40 2.368(5) . ?
Mo6 Sb3B 2.783(3) . ?
Mo6 As3B 2.644(11) . ?
Mo8 Mo7 3.0994(5) . ?
Mo8 As4A 2.594(10) . ?
Mo8 C51 1.985(5) . ?
Mo8 C53 2.374(5) . ?
Mo8 C50 1.998(6) . ?
Mo8 C54 2.324(5) . ?
Mo8 C55 2.286(5) . ?
Mo8 C52 2.350(5) . ?
Mo8 C56 2.300(5) . ?
Mo8 As4B 2.683(13) . ?
Mo8 Sb4B 2.714(10) . ?
Mo1 As1A 2.617(9) . ?
Mo1 C2 1.973(5) . ?
Mo1 C1 1.997(5) . ?
Mo1 C7 2.371(4) . ?
Mo1 C3 2.358(5) . ?
Mo1 C5 2.279(5) . ?
Mo1 C4 2.291(5) . ?
Mo1 C6 2.327(5) . ?
Mo1 As1B 2.749(11) . ?
Mo1 Sb1B 2.705(7) . ?
Mo7 As4A 2.691(10) . ?
Mo7 C43 1.985(5) . ?
Mo7 C45 2.303(5) . ?
Mo7 C44 1.975(5) . ?
Mo7 C49 2.329(5) . ?
Mo7 C48 2.379(5) . ?
Mo7 C46 2.295(5) . ?
Mo7 C47 2.362(5) . ?
Mo7 As4B 2.669(10) . ?
Mo7 Sb4B 2.871(10) . ?
As1A Cu1 2.435(10) . ?
As3A Sb3A 2.605(6) . ?
As3A Cu3 2.433(11) . ?
Sb2A As2A 2.590(6) . ?
Sb2A Mo4 2.725(9) . ?
Sb2A Cu2 2.502(8) . ?
Sb3A Cu3 2.516(10) . ?
As4A Cu4 2.504(10) . ?
As2A Mo4 2.811(10) . ?
As2A Cu2 2.400(10) . ?
Mo4 C23 1.983(6) . ?
Mo4 C25 2.285(6) . ?
Mo4 C24 2.341(6) . ?
Mo4 C27 2.321(5) . ?
Mo4 C28 2.382(6) . ?
Mo4 C26 2.289(6) . ?
Mo4 As2B 2.585(12) . ?
Mo4 Sb2B 2.737(6) . ?
Mo4 C22A 1.92(3) . ?
Mo4 C22B 2.07(3) . ?
Br2A Cu2 2.416(4) . ?
Br2A Cu1 2.402(6) . ?
Br3B Cu4 2.401(8) . ?
Br3B Cu3 2.429(7) . ?
Cu2 Cu1 2.9321(9) . ?
Cu2 Br1A 2.429(4) . ?
Cu2 As2B 2.501(11) . ?
Cu2 Sb2B 2.592(5) . ?
Cu2 Br1B 2.404(5) . ?
Cu2 Br2B 2.429(19) . ?
Cu4 Br4A 2.422(4) . ?
Cu4 Cu3 2.9210(9) . ?
Cu4 As4B 2.515(11) . ?
Cu4 Sb4B 2.447(10) . ?
Cu4 Br0J 2.488(19) . ?
Cu4 Br4B 2.488(14) . ?
Cu1 Br1A 2.358(7) . ?
Cu1 As1B 2.471(13) . ?
Cu1 Sb1B 2.523(8) . ?
Cu1 Br1B 2.497(9) . ?
Cu1 Br2B 2.49(2) . ?
Br4A Cu3 2.404(3) . ?
Cu3 Sb3B 2.555(5) . ?
Cu3 As3B 2.458(10) . ?
Cu3 Br0J 2.384(16) . ?
Cu3 Br4B 2.430(12) . ?
O13 C43 1.155(6) . ?
O14 C44 1.150(6) . ?
O3 C8 1.149(6) . ?
O4 C9 1.150(6) . ?
O9 C29 1.149(6) . ?
O5 C16 1.141(6) . ?
O2 C2 1.152(6) . ?
O6 C15 1.149(6) . ?
O12 C37 1.146(6) . ?
O10 C30 1.149(6) . ?
O16 C51 1.149(6) . ?
O1 C1 1.137(6) . ?
O8 C23 1.138(7) . ?
O15 C50 1.134(7) . ?
O11 C36 1.137(6) . ?
C7 H7 0.9500 . ?
C7 C3 1.413(7) . ?
C7 C6 1.415(7) . ?
C20 H20 0.9500 . ?
C20 C19 1.424(7) . ?
C20 C21 1.399(7) . ?
C45 H45 0.9500 . ?
C45 C49 1.425(7) . ?
C45 C46 1.410(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.406(7) . ?
C12 C13 1.417(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.429(7) . ?
C34 H34 0.9500 . ?
C34 C33 1.421(7) . ?
C34 C35 1.421(8) . ?
C49 H49 0.9500 . ?
C49 C48 1.405(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.409(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.415(7) . ?
C41 C40 1.404(7) . ?
C48 H48 0.9500 . ?
C48 C47 1.424(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.405(8) . ?
C53 C52 1.406(8) . ?
C39 H39 0.9500 . ?
C39 C38 1.402(8) . ?
C39 C40 1.419(8) . ?
C19 H19 0.9500 . ?
C19 C18 1.416(8) . ?
C38 H38 0.9500 . ?
C38 C42 1.417(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.400(8) . ?
C42 H42 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.425(8) . ?
C32 C31 1.414(7) . ?
C14 H14 0.9500 . ?
C14 C10 1.413(8) . ?
C21 H21 0.9500 . ?
C21 C17 1.433(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.409(7) . ?
C40 H40 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.401(8) . ?
C18 H18 0.9500 . ?
C10 H10 0.9500 . ?
C33 H33 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.414(7) . ?
C5 C6 1.422(7) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C55 H55 0.9500 . ?
C55 C56 1.409(9) . ?
C52 H52 0.9500 . ?
C52 C56 1.426(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.405(8) . ?
C47 H47 0.9500 . ?
C35 H35 0.9500 . ?
C35 C31 1.399(8) . ?
C31 H31 0.9500 . ?
C56 H56 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.400(9) . ?
C25 C26 1.403(9) . ?
C24 H24 0.9500 . ?
C24 C28 1.424(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.400(9) . ?
C27 C26 1.428(8) . ?
C28 H28 0.9500 . ?
C26 H26 0.9500 . ?
As1B Sb1B 2.592(6) . ?
As2B Sb2B 2.585(5) . ?
Sb3B As3B 2.603(6) . ?
As4B Sb4B 2.588(6) . ?
C22A O7A 1.17(3) . ?
C22B O7B 1.13(4) . ?

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
Mo7 Sb4A Mo8 68.25(12) . . ?
As4A Sb4A Mo8 57.2(2) . . ?
As4A Sb4A Mo7 61.0(2) . . ?
Cu4 Sb4A Mo8 103.93(18) . . ?
Cu4 Sb4A Mo7 109.03(12) . . ?
Cu4 Sb4A As4A 58.3(2) . . ?
Sb1A Mo2 Mo1 56.45(12) . . ?
As1A Mo2 Sb1A 56.35(17) . . ?
As1A Mo2 Mo1 52.78(19) . . ?
C9 Mo2 Sb1A 128.58(19) . . ?
C9 Mo2 Mo1 85.67(14) . . ?
C9 Mo2 As1A 73.5(2) . . ?
C9 Mo2 C12 84.89(19) . . ?
C9 Mo2 C11 96.7(2) . . ?
C9 Mo2 C13 108.98(19) . . ?
C9 Mo2 C14 142.11(19) . . ?
C9 Mo2 C10 132.6(2) . . ?
C9 Mo2 As1B 126.5(3) . . ?
C9 Mo2 Sb1B 70.4(2) . . ?
C8 Mo2 Sb1A 90.04(19) . . ?
C8 Mo2 Mo1 128.00(14) . . ?
C8 Mo2 As1A 76.0(2) . . ?
C8 Mo2 C9 88.2(2) . . ?
C8 Mo2 C12 119.07(19) . . ?
C8 Mo2 C11 86.22(19) . . ?
C8 Mo2 C13 141.98(19) . . ?
C8 Mo2 C14 115.89(19) . . ?
C8 Mo2 C10 84.51(19) . . ?
C8 Mo2 As1B 87.8(3) . . ?
C8 Mo2 Sb1B 75.41(19) . . ?
C12 Mo2 Sb1A 137.98(18) . . ?
C12 Mo2 Mo1 111.71(12) . . ?
C12 Mo2 As1A 153.6(2) . . ?
C12 Mo2 C13 35.13(17) . . ?
C12 Mo2 C14 58.24(18) . . ?
C12 Mo2 As1B 141.0(3) . . ?
C12 Mo2 Sb1B 151.41(19) . . ?
C11 Mo2 Sb1A 134.46(18) . . ?
C11 Mo2 Mo1 145.78(12) . . ?
C11 Mo2 As1A 159.8(2) . . ?
C11 Mo2 C12 35.38(17) . . ?
C11 Mo2 C13 58.92(18) . . ?
C11 Mo2 C14 59.05(18) . . ?
C11 Mo2 C10 36.18(18) . . ?
C11 Mo2 As1B 136.2(3) . . ?
C11 Mo2 Sb1B 157.6(2) . . ?
C13 Mo2 Sb1A 103.41(18) . . ?
C13 Mo2 Mo1 87.93(13) . . ?
C13 Mo2 As1A 140.7(2) . . ?
C13 Mo2 As1B 106.4(3) . . ?
C13 Mo2 Sb1B 141.86(18) . . ?
C14 Mo2 Sb1A 82.62(18) . . ?
C14 Mo2 Mo1 99.26(14) . . ?
C14 Mo2 As1A 138.0(2) . . ?
C14 Mo2 C13 34.71(17) . . ?
C14 Mo2 As1B 85.4(3) . . ?
C14 Mo2 Sb1B 141.2(2) . . ?
C10 Mo2 Sb1A 98.27(18) . . ?
C10 Mo2 Mo1 133.79(14) . . ?
C10 Mo2 As1A 147.2(2) . . ?
C10 Mo2 C12 59.11(17) . . ?
C10 Mo2 C13 58.68(18) . . ?
C10 Mo2 C14 35.23(19) . . ?
C10 Mo2 As1B 100.0(3) . . ?
C10 Mo2 Sb1B 149.43(19) . . ?
As1B Mo2 Mo1 56.8(3) . . ?
As1B Mo2 Sb1B 57.1(2) . . ?
Sb1B Mo2 Mo1 53.97(13) . . ?
Mo2 Sb1A Mo1 68.25(13) . . ?
As1A Sb1A Mo2 61.3(3) . . ?
As1A Sb1A Mo1 58.1(2) . . ?
Cu1 Sb1A Mo2 106.7(2) . . ?
Cu1 Sb1A Mo1 104.77(19) . . ?
Cu1 Sb1A As1A 56.7(3) . . ?
As3A Mo5 Mo6 57.25(17) . . ?
As3A Mo5 Sb3A 56.56(19) . . ?
Sb3A Mo5 Mo6 53.2(2) . . ?
C30 Mo5 Mo6 85.77(13) . . ?
C30 Mo5 As3A 126.5(2) . . ?
C30 Mo5 Sb3A 70.7(2) . . ?
C30 Mo5 C34 95.8(2) . . ?
C30 Mo5 C32 110.5(2) . . ?
C30 Mo5 C33 85.3(2) . . ?
C30 Mo5 C35 131.3(2) . . ?
C30 Mo5 C31 143.2(2) . . ?
C30 Mo5 Sb3B 128.74(16) . . ?
C30 Mo5 As3B 72.7(2) . . ?
C29 Mo5 Mo6 127.69(14) . . ?
C29 Mo5 As3A 87.4(3) . . ?
C29 Mo5 Sb3A 75.7(3) . . ?
C29 Mo5 C30 87.6(2) . . ?
C29 Mo5 C34 87.03(19) . . ?
C29 Mo5 C32 142.26(18) . . ?
C29 Mo5 C33 120.62(19) . . ?
C29 Mo5 C35 84.53(19) . . ?
C29 Mo5 C31 114.9(2) . . ?
C29 Mo5 Sb3B 90.07(17) . . ?
C29 Mo5 As3B 74.9(3) . . ?
C34 Mo5 Mo6 145.25(13) . . ?
C34 Mo5 As3A 137.0(2) . . ?
C34 Mo5 Sb3A 158.2(2) . . ?
C34 Mo5 C32 59.24(18) . . ?
C34 Mo5 C33 35.73(18) . . ?
C34 Mo5 C35 36.0(2) . . ?
C34 Mo5 C31 59.2(2) . . ?
C34 Mo5 Sb3B 135.25(17) . . ?
C34 Mo5 As3B 158.8(3) . . ?
C32 Mo5 Mo6 87.65(12) . . ?
C32 Mo5 As3A 105.3(3) . . ?
C32 Mo5 Sb3A 140.9(2) . . ?
C32 Mo5 Sb3B 102.00(18) . . ?
C32 Mo5 As3B 141.2(3) . . ?
C33 Mo5 Mo6 110.42(13) . . ?
C33 Mo5 As3A 140.2(3) . . ?
C33 Mo5 Sb3A 150.9(2) . . ?
C33 Mo5 C32 35.22(19) . . ?
C33 Mo5 C31 58.40(19) . . ?
C33 Mo5 Sb3B 136.89(19) . . ?
C33 Mo5 As3B 153.0(3) . . ?
C35 Mo5 Mo6 134.92(15) . . ?
C35 Mo5 As3A 101.0(2) . . ?
C35 Mo5 Sb3A 150.1(2) . . ?
C35 Mo5 C32 58.44(18) . . ?
C35 Mo5 C33 58.96(19) . . ?
C35 Mo5 C31 35.0(2) . . ?
C35 Mo5 Sb3B 99.26(18) . . ?
C35 Mo5 As3B 148.1(3) . . ?
C31 Mo5 Mo6 100.33(14) . . ?
C31 Mo5 As3A 85.2(3) . . ?
C31 Mo5 Sb3A 140.7(2) . . ?
C31 Mo5 C32 34.81(18) . . ?
C31 Mo5 Sb3B 82.23(18) . . ?
C31 Mo5 As3B 139.0(2) . . ?
Sb3B Mo5 Mo6 56.63(6) . . ?
As3B Mo5 Mo6 53.6(3) . . ?
As3B Mo5 Sb3B 57.37(16) . . ?
Sb2A Mo3 Mo4 54.2(2) . . ?
As2A Mo3 Sb2A 56.12(18) . . ?
As2A Mo3 Mo4 58.4(2) . . ?
C16 Mo3 Sb2A 69.6(2) . . ?
C16 Mo3 As2A 125.4(3) . . ?
C16 Mo3 Mo4 86.80(14) . . ?
C16 Mo3 C20 86.32(19) . . ?
C16 Mo3 C19 93.8(2) . . ?
C16 Mo3 C21 112.76(19) . . ?
C16 Mo3 C17 144.44(19) . . ?
C16 Mo3 C18 128.7(2) . . ?
C16 Mo3 As2B 71.7(3) . . ?
C16 Mo3 Sb2B 127.96(18) . . ?
C15 Mo3 Sb2A 76.0(2) . . ?
C15 Mo3 As2A 85.1(2) . . ?
C15 Mo3 Mo4 128.62(15) . . ?
C15 Mo3 C16 87.4(2) . . ?
C15 Mo3 C20 124.23(19) . . ?
C15 Mo3 C19 89.68(19) . . ?
C15 Mo3 C21 142.4(2) . . ?
C15 Mo3 C17 112.7(2) . . ?
C15 Mo3 C18 84.0(2) . . ?
C15 Mo3 As2B 77.1(3) . . ?
C15 Mo3 Sb2B 90.26(17) . . ?
C20 Mo3 Sb2A 148.6(2) . . ?
C20 Mo3 As2A 139.8(2) . . ?
C20 Mo3 Mo4 106.24(12) . . ?
C20 Mo3 C21 34.51(17) . . ?
C20 Mo3 C17 58.15(19) . . ?
C20 Mo3 As2B 149.3(3) . . ?
C20 Mo3 Sb2B 134.47(16) . . ?
C19 Mo3 Sb2A 158.3(2) . . ?
C19 Mo3 As2A 139.9(3) . . ?
C19 Mo3 Mo4 141.64(12) . . ?
C19 Mo3 C20 35.83(17) . . ?
C19 Mo3 C21 58.90(18) . . ?
C19 Mo3 C17 59.0(2) . . ?
C19 Mo3 C18 35.88(19) . . ?
C19 Mo3 As2B 160.6(3) . . ?
C19 Mo3 Sb2B 138.15(18) . . ?
C21 Mo3 Sb2A 139.8(2) . . ?
C21 Mo3 As2A 105.4(2) . . ?
C21 Mo3 Mo4 85.53(13) . . ?
C21 Mo3 As2B 138.2(3) . . ?
C21 Mo3 Sb2B 99.97(16) . . ?
C17 Mo3 Sb2A 141.8(2) . . ?
C17 Mo3 As2A 86.7(2) . . ?
C17 Mo3 Mo4 100.83(15) . . ?
C17 Mo3 C21 35.18(19) . . ?
C17 Mo3 As2B 139.4(3) . . ?
C17 Mo3 Sb2B 82.79(17) . . ?
C18 Mo3 Sb2A 152.5(2) . . ?
C18 Mo3 As2A 104.1(3) . . ?
C18 Mo3 Mo4 135.72(15) . . ?
C18 Mo3 C20 58.91(19) . . ?
C18 Mo3 C21 58.55(19) . . ?
C18 Mo3 C17 34.9(2) . . ?
C18 Mo3 As2B 151.7(3) . . ?
C18 Mo3 Sb2B 102.61(19) . . ?
As2B Mo3 Mo4 52.8(3) . . ?
As2B Mo3 Sb2B 57.22(19) . . ?
Sb2B Mo3 Mo4 55.74(12) . . ?
As3A Mo6 Mo5 52.9(2) . . ?
Sb3A Mo6 Mo5 58.4(2) . . ?
Sb3A Mo6 As3A 56.95(19) . . ?
C37 Mo6 Mo5 128.15(16) . . ?
C37 Mo6 As3A 75.7(3) . . ?
C37 Mo6 Sb3A 90.1(3) . . ?
C37 Mo6 C36 89.5(2) . . ?
C37 Mo6 C41 123.3(2) . . ?
C37 Mo6 C39 111.5(2) . . ?
C37 Mo6 C38 82.6(2) . . ?
C37 Mo6 C42 88.8(2) . . ?
C37 Mo6 C40 141.0(2) . . ?
C37 Mo6 Sb3B 74.52(18) . . ?
C37 Mo6 As3B 90.8(3) . . ?
C36 Mo6 Mo5 84.64(16) . . ?
C36 Mo6 As3A 75.7(3) . . ?
C36 Mo6 Sb3A 131.1(3) . . ?
C36 Mo6 C41 83.1(2) . . ?
C36 Mo6 C39 141.5(2) . . ?
C36 Mo6 C38 126.3(2) . . ?
C36 Mo6 C42 91.1(2) . . ?
C36 Mo6 C40 110.4(2) . . ?
C36 Mo6 Sb3B 72.4(2) . . ?
C36 Mo6 As3B 127.4(3) . . ?
C41 Mo6 Mo5 107.04(12) . . ?
C41 Mo6 As3A 151.7(2) . . ?
C41 Mo6 Sb3A 134.7(2) . . ?
C41 Mo6 C39 58.40(19) . . ?
C41 Mo6 C40 34.76(18) . . ?
C41 Mo6 Sb3B 150.01(16) . . ?
C41 Mo6 As3B 136.4(3) . . ?
C39 Mo6 Mo5 104.33(13) . . ?
C39 Mo6 As3A 139.3(3) . . ?
C39 Mo6 Sb3A 82.5(2) . . ?
C39 Mo6 C40 35.00(19) . . ?
C39 Mo6 Sb3B 142.84(18) . . ?
C39 Mo6 As3B 85.7(2) . . ?
C38 Mo6 Mo5 139.37(14) . . ?
C38 Mo6 As3A 149.1(3) . . ?
C38 Mo6 Sb3A 102.1(2) . . ?
C38 Mo6 C41 59.20(19) . . ?
C38 Mo6 C39 35.06(19) . . ?
C38 Mo6 C40 58.52(19) . . ?
C38 Mo6 Sb3B 150.61(17) . . ?
C38 Mo6 As3B 105.8(3) . . ?
C42 Mo6 Mo5 142.60(13) . . ?
C42 Mo6 As3A 159.5(3) . . ?
C42 Mo6 Sb3A 137.8(2) . . ?
C42 Mo6 C41 35.68(18) . . ?
C42 Mo6 C39 58.94(19) . . ?
C42 Mo6 C38 35.99(19) . . ?
C42 Mo6 C40 58.69(18) . . ?
C42 Mo6 Sb3B 156.34(19) . . ?
C42 Mo6 As3B 141.4(3) . . ?
C40 Mo6 Mo5 88.09(12) . . ?
C40 Mo6 As3A 140.5(3) . . ?
C40 Mo6 Sb3A 100.0(2) . . ?
C40 Mo6 Sb3B 142.59(16) . . ?
C40 Mo6 As3B 101.7(2) . . ?
Sb3B Mo6 Mo5 54.60(10) . . ?
As3B Mo6 Mo5 55.4(3) . . ?
As3B Mo6 Sb3B 57.24(16) . . ?
Sb4A Mo8 Mo7 54.22(7) . . ?
As4A Mo8 Sb4A 57.03(15) . . ?
As4A Mo8 Mo7 55.6(2) . . ?
C51 Mo8 Sb4A 75.78(17) . . ?
C51 Mo8 Mo7 128.75(15) . . ?
C51 Mo8 As4A 90.0(3) . . ?
C51 Mo8 C53 141.99(19) . . ?
C51 Mo8 C50 89.1(2) . . ?
C51 Mo8 C54 121.5(2) . . ?
C51 Mo8 C55 87.9(2) . . ?
C51 Mo8 C52 114.4(2) . . ?
C51 Mo8 C56 83.7(2) . . ?
C51 Mo8 As4B 75.3(3) . . ?
C51 Mo8 Sb4B 87.8(3) . . ?
C53 Mo8 Sb4A 141.03(14) . . ?
C53 Mo8 Mo7 86.81(12) . . ?
C53 Mo8 As4A 103.4(2) . . ?
C53 Mo8 As4B 141.2(2) . . ?
C53 Mo8 Sb4B 103.8(2) . . ?
C50 Mo8 Sb4A 71.83(19) . . ?
C50 Mo8 Mo7 85.75(15) . . ?
C50 Mo8 As4A 127.3(2) . . ?
C50 Mo8 C53 109.0(2) . . ?
C50 Mo8 C54 83.5(2) . . ?
C50 Mo8 C55 93.5(2) . . ?
C50 Mo8 C52 141.1(2) . . ?
C50 Mo8 C56 128.7(2) . . ?
C50 Mo8 As4B 73.3(3) . . ?
C50 Mo8 Sb4B 129.6(2) . . ?
C54 Mo8 Sb4A 150.07(17) . . ?
C54 Mo8 Mo7 108.49(13) . . ?
C54 Mo8 As4A 138.2(2) . . ?
C54 Mo8 C53 34.78(19) . . ?
C54 Mo8 C52 58.0(2) . . ?
C54 Mo8 As4B 151.5(3) . . ?
C54 Mo8 Sb4B 138.3(2) . . ?
C55 Mo8 Sb4A 157.96(17) . . ?
C55 Mo8 Mo7 143.23(15) . . ?
C55 Mo8 As4A 139.1(2) . . ?
C55 Mo8 C53 58.66(19) . . ?
C55 Mo8 C54 35.36(19) . . ?
C55 Mo8 C52 59.0(2) . . ?
C55 Mo8 C56 35.8(2) . . ?
C55 Mo8 As4B 158.6(2) . . ?
C55 Mo8 Sb4B 136.6(2) . . ?
C52 Mo8 Sb4A 141.57(16) . . ?
C52 Mo8 Mo7 100.46(14) . . ?
C52 Mo8 As4A 85.2(2) . . ?
C52 Mo8 C53 34.62(19) . . ?
C52 Mo8 As4B 140.4(2) . . ?
C52 Mo8 Sb4B 83.9(2) . . ?
C56 Mo8 Sb4A 151.01(18) . . ?
C56 Mo8 Mo7 135.96(16) . . ?
C56 Mo8 As4A 103.4(2) . . ?
C56 Mo8 C53 58.75(18) . . ?
C56 Mo8 C54 58.9(2) . . ?
C56 Mo8 C52 35.7(2) . . ?
C56 Mo8 As4B 149.6(3) . . ?
C56 Mo8 Sb4B 100.8(2) . . ?
As4B Mo8 Mo7 54.4(2) . . ?
As4B Mo8 Sb4B 57.30(19) . . ?
Sb4B Mo8 Mo7 58.8(2) . . ?
Sb1A Mo1 Mo2 55.29(15) . . ?
As1A Mo1 Mo2 56.0(2) . . ?
As1A Mo1 Sb1A 57.05(15) . . ?
C2 Mo1 Mo2 127.78(15) . . ?
C2 Mo1 Sb1A 73.4(2) . . ?
C2 Mo1 As1A 89.9(3) . . ?
C2 Mo1 C1 89.7(2) . . ?
C2 Mo1 C7 141.47(19) . . ?
C2 Mo1 C3 112.95(19) . . ?
C2 Mo1 C5 87.8(2) . . ?
C2 Mo1 C4 83.00(19) . . ?
C2 Mo1 C6 122.16(19) . . ?
C2 Mo1 As1B 76.3(3) . . ?
C2 Mo1 Sb1B 90.9(2) . . ?
C1 Mo1 Mo2 84.21(15) . . ?
C1 Mo1 Sb1A 72.5(2) . . ?
C1 Mo1 As1A 127.3(3) . . ?
C1 Mo1 C7 109.8(2) . . ?
C1 Mo1 C3 141.7(2) . . ?
C1 Mo1 C5 93.3(2) . . ?
C1 Mo1 C4 128.8(2) . . ?
C1 Mo1 C6 83.5(2) . . ?
C1 Mo1 As1B 75.6(3) . . ?
C1 Mo1 Sb1B 130.6(2) . . ?
C7 Mo1 Mo2 88.16(12) . . ?
C7 Mo1 Sb1A 143.36(19) . . ?
C7 Mo1 As1A 102.6(2) . . ?
C7 Mo1 As1B 139.6(3) . . ?
C7 Mo1 Sb1B 99.8(2) . . ?
C3 Mo1 Mo2 102.90(13) . . ?
C3 Mo1 Sb1A 141.95(17) . . ?
C3 Mo1 As1A 85.0(2) . . ?
C3 Mo1 C7 34.77(16) . . ?
C3 Mo1 As1B 137.9(3) . . ?
C3 Mo1 Sb1B 81.6(2) . . ?
C5 Mo1 Mo2 144.17(13) . . ?
C5 Mo1 Sb1A 156.17(19) . . ?
C5 Mo1 As1A 139.4(2) . . ?
C5 Mo1 C7 59.03(17) . . ?
C5 Mo1 C3 59.01(18) . . ?
C5 Mo1 C4 36.04(19) . . ?
C5 Mo1 C6 35.95(17) . . ?
C5 Mo1 As1B 160.5(3) . . ?
C5 Mo1 Sb1B 136.1(2) . . ?
C4 Mo1 Mo2 138.00(13) . . ?
C4 Mo1 Sb1A 148.56(19) . . ?
C4 Mo1 As1A 103.4(2) . . ?
C4 Mo1 C7 58.77(17) . . ?
C4 Mo1 C3 35.26(18) . . ?
C4 Mo1 C6 59.53(18) . . ?
C4 Mo1 As1B 148.1(3) . . ?
C4 Mo1 Sb1B 100.3(2) . . ?
C6 Mo1 Mo2 108.57(13) . . ?
C6 Mo1 Sb1A 151.71(19) . . ?
C6 Mo1 As1A 137.7(3) . . ?
C6 Mo1 C7 35.05(16) . . ?
C6 Mo1 C3 58.45(18) . . ?
C6 Mo1 As1B 152.2(3) . . ?
C6 Mo1 Sb1B 134.8(2) . . ?
As1B Mo1 Mo2 51.9(3) . . ?
Sb1B Mo1 Mo2 57.57(17) . . ?
Sb1B Mo1 As1B 56.73(18) . . ?
Sb4A Mo7 Mo8 57.54(11) . . ?
As4A Mo7 Sb4A 57.33(14) . . ?
As4A Mo7 Mo8 52.7(2) . . ?
C43 Mo7 Sb4A 128.37(18) . . ?
C43 Mo7 Mo8 85.47(13) . . ?
C43 Mo7 As4A 71.9(2) . . ?
C43 Mo7 C45 94.92(19) . . ?
C43 Mo7 C49 86.00(19) . . ?
C43 Mo7 C48 111.74(19) . . ?
C43 Mo7 C46 129.9(2) . . ?
C43 Mo7 C47 143.9(2) . . ?
C43 Mo7 As4B 125.5(3) . . ?
C43 Mo7 Sb4B 71.4(2) . . ?
C45 Mo7 Sb4A 136.52(17) . . ?
C45 Mo7 Mo8 143.07(12) . . ?
C45 Mo7 As4A 160.3(2) . . ?
C45 Mo7 C49 35.84(16) . . ?
C45 Mo7 C48 59.01(17) . . ?
C45 Mo7 C47 58.84(19) . . ?
C45 Mo7 As4B 139.5(3) . . ?
C45 Mo7 Sb4B 159.0(2) . . ?
C44 Mo7 Sb4A 88.61(17) . . ?
C44 Mo7 Mo8 127.62(15) . . ?
C44 Mo7 As4A 75.9(2) . . ?
C44 Mo7 C43 87.89(19) . . ?
C44 Mo7 C45 89.24(19) . . ?
C44 Mo7 C49 123.51(19) . . ?
C44 Mo7 C48 142.87(19) . . ?
C44 Mo7 C46 84.4(2) . . ?
C44 Mo7 C47 113.8(2) . . ?
C44 Mo7 As4B 89.6(3) . . ?
C44 Mo7 Sb4B 74.8(2) . . ?
C49 Mo7 Sb4A 135.90(15) . . ?
C49 Mo7 Mo8 107.76(12) . . ?
C49 Mo7 As4A 150.6(2) . . ?
C49 Mo7 C48 34.71(17) . . ?
C49 Mo7 C47 58.04(19) . . ?
C49 Mo7 As4B 137.0(3) . . ?
C49 Mo7 Sb4B 151.0(2) . . ?
C48 Mo7 Sb4A 101.34(15) . . ?
C48 Mo7 Mo8 86.51(12) . . ?
C48 Mo7 As4A 139.1(2) . . ?
C48 Mo7 As4B 102.3(3) . . ?
C48 Mo7 Sb4B 140.4(2) . . ?
C46 Mo7 Sb4A 100.91(18) . . ?
C46 Mo7 Mo8 136.05(14) . . ?
C46 Mo7 As4A 150.4(2) . . ?
C46 Mo7 C45 35.73(18) . . ?
C46 Mo7 C49 58.91(18) . . ?
C46 Mo7 C48 58.65(18) . . ?
C46 Mo7 C47 35.08(19) . . ?
C46 Mo7 As4B 104.0(3) . . ?
C46 Mo7 Sb4B 150.1(2) . . ?
C47 Mo7 Sb4A 82.72(17) . . ?
C47 Mo7 Mo8 101.10(14) . . ?
C47 Mo7 As4A 139.3(2) . . ?
C47 Mo7 C48 34.97(18) . . ?
C47 Mo7 As4B 85.0(3) . . ?
C47 Mo7 Sb4B 140.2(2) . . ?
As4B Mo7 Mo8 54.8(3) . . ?
As4B Mo7 Sb4B 55.6(2) . . ?
Sb4B Mo7 Mo8 53.91(18) . . ?
Sb1A As1A Mo2 62.4(3) . . ?
Sb1A As1A Mo1 64.9(2) . . ?
Mo1 As1A Mo2 71.2(2) . . ?
Cu1 As1A Mo2 110.7(3) . . ?
Cu1 As1A Sb1A 60.7(3) . . ?
Cu1 As1A Mo1 113.5(4) . . ?
Mo5 As3A Mo6 69.8(2) . . ?
Sb3A As3A Mo5 65.7(3) . . ?
Sb3A As3A Mo6 59.5(3) . . ?
Cu3 As3A Mo5 112.9(4) . . ?
Cu3 As3A Mo6 108.7(3) . . ?
Cu3 As3A Sb3A 59.8(3) . . ?
As2A Sb2A Mo3 56.7(3) . . ?
As2A Sb2A Mo4 63.8(3) . . ?
Mo4 Sb2A Mo3 66.86(16) . . ?
Cu2 Sb2A Mo3 103.7(2) . . ?
Cu2 Sb2A As2A 56.2(3) . . ?
Cu2 Sb2A Mo4 109.2(3) . . ?
Mo6 Sb3A Mo5 68.4(2) . . ?
As3A Sb3A Mo5 57.8(3) . . ?
As3A Sb3A Mo6 63.6(2) . . ?
Cu3 Sb3A Mo5 104.0(3) . . ?
Cu3 Sb3A Mo6 109.6(3) . . ?
Cu3 Sb3A As3A 56.7(3) . . ?
Sb4A As4A Mo8 65.8(2) . . ?
Sb4A As4A Mo7 61.6(2) . . ?
Mo8 As4A Mo7 71.8(3) . . ?
Cu4 As4A Sb4A 60.0(2) . . ?
Cu4 As4A Mo8 112.0(3) . . ?
Cu4 As4A Mo7 110.9(3) . . ?
Mo3 As2A Mo4 69.4(3) . . ?
Sb2A As2A Mo3 67.2(3) . . ?
Sb2A As2A Mo4 60.4(3) . . ?
Cu2 As2A Mo3 115.4(3) . . ?
Cu2 As2A Sb2A 60.0(3) . . ?
Cu2 As2A Mo4 109.5(4) . . ?
Sb2A Mo4 As2A 55.77(15) . . ?
C23 Mo4 Sb2A 88.6(3) . . ?
C23 Mo4 As2A 77.9(3) . . ?
C23 Mo4 C25 82.6(2) . . ?
C23 Mo4 C24 111.7(2) . . ?
C23 Mo4 C27 123.4(2) . . ?
C23 Mo4 C28 141.3(2) . . ?
C23 Mo4 C26 88.5(2) . . ?
C23 Mo4 As2B 90.1(3) . . ?
C23 Mo4 Sb2B 75.6(2) . . ?
C23 Mo4 C22B 87.1(8) . . ?
C25 Mo4 Sb2A 102.4(2) . . ?
C25 Mo4 As2A 150.7(3) . . ?
C25 Mo4 C24 35.2(2) . . ?
C25 Mo4 C27 59.0(2) . . ?
C25 Mo4 C28 58.8(2) . . ?
C25 Mo4 C26 35.7(2) . . ?
C25 Mo4 As2B 106.4(3) . . ?
C25 Mo4 Sb2B 152.67(19) . . ?
C24 Mo4 Sb2A 83.5(2) . . ?
C24 Mo4 As2A 138.5(2) . . ?
C24 Mo4 C28 35.1(2) . . ?
C24 Mo4 As2B 86.5(2) . . ?
C24 Mo4 Sb2B 144.23(17) . . ?
C27 Mo4 Sb2A 136.0(2) . . ?
C27 Mo4 As2A 150.2(3) . . ?
C27 Mo4 C24 58.1(2) . . ?
C27 Mo4 C28 34.6(2) . . ?
C27 Mo4 As2B 137.1(3) . . ?
C27 Mo4 Sb2B 148.1(2) . . ?
C28 Mo4 Sb2A 101.4(2) . . ?
C28 Mo4 As2A 138.1(2) . . ?
C28 Mo4 As2B 102.5(3) . . ?
C28 Mo4 Sb2B 141.70(19) . . ?
C26 Mo4 Sb2A 138.0(2) . . ?
C26 Mo4 As2A 161.0(3) . . ?
C26 Mo4 C24 59.0(3) . . ?
C26 Mo4 C27 36.1(2) . . ?
C26 Mo4 C28 59.2(2) . . ?
C26 Mo4 As2B 141.9(3) . . ?
C26 Mo4 Sb2B 155.6(2) . . ?
As2B Mo4 Sb2B 58.02(18) . . ?
C22A Mo4 C23 91.9(9) . . ?
C22A Mo4 C25 121.5(10) . . ?
C22A Mo4 C24 135.9(12) . . ?
C22A Mo4 C27 77.8(12) . . ?
C22A Mo4 C28 105.3(12) . . ?
C22A Mo4 C26 86.2(11) . . ?
C22A Mo4 As2B 131.9(11) . . ?
C22A Mo4 Sb2B 76.1(12) . . ?
C22B Mo4 C25 133.2(10) . . ?
C22B Mo4 C24 148.9(11) . . ?
C22B Mo4 C27 91.0(11) . . ?
C22B Mo4 C28 116.4(10) . . ?
C22B Mo4 C26 98.8(11) . . ?
Cu1 Br2A Cu2 74.96(15) . . ?
Cu4 Br3B Cu3 74.42(18) . . ?
Sb2A Cu2 Cu1 145.60(14) . . ?
As2A Cu2 Sb2A 63.8(2) . . ?
As2A Cu2 Br2A 105.7(3) . . ?
As2A Cu2 Cu1 150.6(2) . . ?
As2A Cu2 Br1A 145.6(4) . . ?
Br2A Cu2 Sb2A 143.3(3) . . ?
Br2A Cu2 Cu1 52.31(13) . . ?
Br2A Cu2 Br1A 103.3(2) . . ?
Br1A Cu2 Sb2A 101.72(19) . . ?
Br1A Cu2 Cu1 51.13(16) . . ?
As2B Cu2 Cu1 150.89(17) . . ?
As2B Cu2 Sb2B 60.96(16) . . ?
Sb2B Cu2 Cu1 148.08(12) . . ?
Br1B Cu2 Cu1 54.7(2) . . ?
Br1B Cu2 As2B 108.7(3) . . ?
Br1B Cu2 Sb2B 131.0(7) . . ?
Br1B Cu2 Br2B 109.1(5) . . ?
Br2B Cu2 Cu1 54.4(5) . . ?
Br2B Cu2 As2B 134.9(8) . . ?
Br2B Cu2 Sb2B 108.3(6) . . ?
Sb4A Cu4 Cu3 148.96(11) . . ?
As4A Cu4 Sb4A 61.66(17) . . ?
As4A Cu4 Cu3 149.3(2) . . ?
Br3B Cu4 Sb4A 105.54(19) . . ?
Br3B Cu4 As4A 141.9(4) . . ?
Br3B Cu4 Br4A 105.6(2) . . ?
Br3B Cu4 Cu3 53.22(19) . . ?
Br4A Cu4 Sb4A 137.5(3) . . ?
Br4A Cu4 As4A 106.3(3) . . ?
Br4A Cu4 Cu3 52.47(9) . . ?
As4B Cu4 Cu3 151.7(3) . . ?
Sb4B Cu4 Cu3 145.2(2) . . ?
Sb4B Cu4 As4B 62.9(2) . . ?
Sb4B Cu4 Br0J 150.3(7) . . ?
Sb4B Cu4 Br4B 98.2(4) . . ?
Br0J Cu4 Cu3 51.5(4) . . ?
Br0J Cu4 As4B 107.3(6) . . ?
Br0J Cu4 Br4B 104.2(5) . . ?
Br4B Cu4 Cu3 52.6(3) . . ?
Br4B Cu4 As4B 141.3(5) . . ?
Sb1A Cu1 Cu2 146.77(13) . . ?
As1A Cu1 Sb1A 62.63(19) . . ?
As1A Cu1 Cu2 150.5(2) . . ?
Br2A Cu1 Sb1A 132.3(3) . . ?
Br2A Cu1 As1A 110.3(3) . . ?
Br2A Cu1 Cu2 52.74(11) . . ?
Br1A Cu1 Sb1A 111.1(2) . . ?
Br1A Cu1 As1A 132.5(3) . . ?
Br1A Cu1 Br2A 105.99(14) . . ?
Br1A Cu1 Cu2 53.35(10) . . ?
As1B Cu1 Cu2 150.7(2) . . ?
As1B Cu1 Sb1B 62.5(2) . . ?
As1B Cu1 Br1B 107.1(4) . . ?
As1B Cu1 Br2B 140.1(8) . . ?
Sb1B Cu1 Cu2 146.79(18) . . ?
Br1B Cu1 Cu2 51.81(13) . . ?
Br1B Cu1 Sb1B 142.0(6) . . ?
Br2B Cu1 Cu2 52.5(4) . . ?
Br2B Cu1 Sb1B 104.5(5) . . ?
Br2B Cu1 Br1B 104.2(4) . . ?
Cu3 Br4A Cu4 74.49(10) . . ?
As3A Cu3 Sb3A 63.5(2) . . ?
As3A Cu3 Cu4 151.8(2) . . ?
Sb3A Cu3 Cu4 144.7(2) . . ?
Br3B Cu3 As3A 134.1(4) . . ?
Br3B Cu3 Sb3A 106.4(3) . . ?
Br3B Cu3 Cu4 52.4(2) . . ?
Br4A Cu3 As3A 110.1(2) . . ?
Br4A Cu3 Sb3A 137.8(4) . . ?
Br4A Cu3 Br3B 105.3(2) . . ?
Br4A Cu3 Cu4 53.04(10) . . ?
Sb3B Cu3 Cu4 149.45(10) . . ?
As3B Cu3 Cu4 148.0(2) . . ?
As3B Cu3 Sb3B 62.52(19) . . ?
Br0J Cu3 Cu4 54.8(4) . . ?
Br0J Cu3 Sb3B 125.4(8) . . ?
Br0J Cu3 As3B 112.2(6) . . ?
Br0J Cu3 Br4B 109.3(5) . . ?
Br4B Cu3 Cu4 54.5(3) . . ?
Br4B Cu3 Sb3B 114.0(4) . . ?
Br4B Cu3 As3B 127.9(6) . . ?
Cu1 Br1A Cu2 75.52(17) . . ?
O5 C16 Mo3 174.8(4) . . ?
O4 C9 Mo2 173.0(5) . . ?
O13 C43 Mo7 175.1(4) . . ?
O10 C30 Mo5 173.8(4) . . ?
O2 C2 Mo1 175.2(5) . . ?
O3 C8 Mo2 174.6(4) . . ?
O1 C1 Mo1 174.7(5) . . ?
Mo1 C7 H7 122.8 . . ?
C3 C7 Mo1 72.1(3) . . ?
C3 C7 H7 126.0 . . ?
C3 C7 C6 107.9(4) . . ?
C6 C7 Mo1 70.8(3) . . ?
C6 C7 H7 126.0 . . ?
O12 C37 Mo6 173.3(5) . . ?
O11 C36 Mo6 173.3(6) . . ?
O6 C15 Mo3 175.4(4) . . ?
Mo3 C20 H20 121.0 . . ?
C19 C20 Mo3 70.6(3) . . ?
C19 C20 H20 125.5 . . ?
C21 C20 Mo3 74.6(3) . . ?
C21 C20 H20 125.5 . . ?
C21 C20 C19 109.1(5) . . ?
Mo7 C45 H45 120.3 . . ?
C49 C45 Mo7 73.1(3) . . ?
C49 C45 H45 126.7 . . ?
C46 C45 Mo7 71.8(3) . . ?
C46 C45 H45 126.7 . . ?
C46 C45 C49 106.6(5) . . ?
Mo2 C12 H12 121.4 . . ?
C11 C12 Mo2 70.9(3) . . ?
C11 C12 H12 125.7 . . ?
C11 C12 C13 108.6(4) . . ?
C13 C12 Mo2 73.7(3) . . ?
C13 C12 H12 125.7 . . ?
O14 C44 Mo7 175.4(5) . . ?
O16 C51 Mo8 174.8(5) . . ?
O9 C29 Mo5 173.5(4) . . ?
Mo2 C11 H11 119.6 . . ?
C12 C11 Mo2 73.7(3) . . ?
C12 C11 H11 126.2 . . ?
C12 C11 C10 107.6(5) . . ?
C10 C11 Mo2 72.4(3) . . ?
C10 C11 H11 126.2 . . ?
Mo5 C34 H34 119.6 . . ?
C33 C34 Mo5 73.6(3) . . ?
C33 C34 H34 126.6 . . ?
C35 C34 Mo5 72.2(3) . . ?
C35 C34 H34 126.6 . . ?
C35 C34 C33 106.8(5) . . ?
Mo7 C49 H49 120.6 . . ?
C45 C49 Mo7 71.1(3) . . ?
C45 C49 H49 125.4 . . ?
C48 C49 Mo7 74.6(3) . . ?
C48 C49 C45 109.2(5) . . ?
C48 C49 H49 125.4 . . ?
Mo2 C13 H13 121.9 . . ?
C12 C13 Mo2 71.2(3) . . ?
C12 C13 H13 126.1 . . ?
C14 C13 Mo2 72.5(3) . . ?
C14 C13 C12 107.8(4) . . ?
C14 C13 H13 126.1 . . ?
Mo6 C41 H41 121.2 . . ?
C42 C41 Mo6 70.5(3) . . ?
C42 C41 H41 125.9 . . ?
C40 C41 Mo6 74.1(3) . . ?
C40 C41 H41 125.9 . . ?
C40 C41 C42 108.1(5) . . ?
Mo7 C48 H48 122.7 . . ?
C49 C48 Mo7 70.7(3) . . ?
C49 C48 H48 126.4 . . ?
C49 C48 C47 107.1(4) . . ?
C47 C48 Mo7 71.9(3) . . ?
C47 C48 H48 126.4 . . ?
Mo8 C53 H53 123.1 . . ?
C54 C53 Mo8 70.6(3) . . ?
C54 C53 H53 126.3 . . ?
C54 C53 C52 107.5(5) . . ?
C52 C53 Mo8 71.7(3) . . ?
C52 C53 H53 126.3 . . ?
Mo6 C39 H39 122.1 . . ?
C38 C39 Mo6 70.4(3) . . ?
C38 C39 H39 126.0 . . ?
C38 C39 C40 108.0(5) . . ?
C40 C39 Mo6 73.1(3) . . ?
C40 C39 H39 126.0 . . ?
O15 C50 Mo8 174.4(6) . . ?
Mo3 C19 H19 119.3 . . ?
C20 C19 Mo3 73.6(3) . . ?
C20 C19 H19 126.6 . . ?
C18 C19 Mo3 72.5(3) . . ?
C18 C19 C20 106.8(5) . . ?
C18 C19 H19 126.6 . . ?
Mo6 C38 H38 119.9 . . ?
C39 C38 Mo6 74.5(3) . . ?
C39 C38 H38 125.9 . . ?
C39 C38 C42 108.2(5) . . ?
C42 C38 Mo6 71.5(3) . . ?
C42 C38 H38 125.9 . . ?
Mo8 C54 H54 120.8 . . ?
C53 C54 Mo8 74.6(3) . . ?
C53 C54 H54 125.5 . . ?
C55 C54 Mo8 70.8(3) . . ?
C55 C54 C53 109.0(5) . . ?
C55 C54 H54 125.5 . . ?
Mo6 C42 H42 119.4 . . ?
C41 C42 Mo6 73.8(3) . . ?
C41 C42 C38 107.7(5) . . ?
C41 C42 H42 126.2 . . ?
C38 C42 Mo6 72.5(3) . . ?
C38 C42 H42 126.2 . . ?
Mo5 C32 H32 122.8 . . ?
C33 C32 Mo5 70.8(3) . . ?
C33 C32 H32 126.4 . . ?
C31 C32 Mo5 71.6(3) . . ?
C31 C32 H32 126.4 . . ?
C31 C32 C33 107.2(5) . . ?
Mo2 C14 H14 122.7 . . ?
C13 C14 Mo2 72.8(3) . . ?
C13 C14 H14 125.8 . . ?
C13 C14 C10 108.4(4) . . ?
C10 C14 Mo2 70.4(3) . . ?
C10 C14 H14 125.8 . . ?
Mo3 C21 H21 122.8 . . ?
C20 C21 Mo3 70.9(3) . . ?
C20 C21 H21 126.3 . . ?
C20 C21 C17 107.3(5) . . ?
C17 C21 Mo3 71.7(3) . . ?
C17 C21 H21 126.3 . . ?
Mo1 C3 H3 122.9 . . ?
C7 C3 Mo1 73.1(3) . . ?
C7 C3 H3 125.8 . . ?
C4 C3 Mo1 69.8(3) . . ?
C4 C3 C7 108.3(4) . . ?
C4 C3 H3 125.8 . . ?
Mo6 C40 H40 122.7 . . ?
C41 C40 Mo6 71.1(3) . . ?
C41 C40 C39 108.0(5) . . ?
C41 C40 H40 126.0 . . ?
C39 C40 Mo6 71.9(3) . . ?
C39 C40 H40 126.0 . . ?
Mo3 C17 H17 122.2 . . ?
C21 C17 Mo3 73.2(3) . . ?
C21 C17 H17 126.0 . . ?
C18 C17 Mo3 70.3(3) . . ?
C18 C17 C21 107.9(5) . . ?
C18 C17 H17 126.0 . . ?
Mo3 C18 H18 119.8 . . ?
C19 C18 Mo3 71.7(3) . . ?
C19 C18 H18 125.6 . . ?
C17 C18 Mo3 74.7(3) . . ?
C17 C18 C19 108.8(5) . . ?
C17 C18 H18 125.6 . . ?
Mo2 C10 H10 119.8 . . ?
C11 C10 Mo2 71.5(3) . . ?
C11 C10 H10 126.2 . . ?
C14 C10 Mo2 74.4(3) . . ?
C14 C10 C11 107.6(4) . . ?
C14 C10 H10 126.2 . . ?
Mo5 C33 H33 121.3 . . ?
C34 C33 Mo5 70.7(3) . . ?
C34 C33 C32 108.5(5) . . ?
C34 C33 H33 125.7 . . ?
C32 C33 Mo5 74.0(3) . . ?
C32 C33 H33 125.7 . . ?
Mo1 C5 H5 119.5 . . ?
C4 C5 Mo1 72.4(3) . . ?
C4 C5 H5 126.1 . . ?
C4 C5 C6 107.9(5) . . ?
C6 C5 Mo1 73.9(3) . . ?
C6 C5 H5 126.1 . . ?
Mo1 C4 H4 119.4 . . ?
C3 C4 Mo1 75.0(3) . . ?
C3 C4 C5 108.1(4) . . ?
C3 C4 H4 126.0 . . ?
C5 C4 Mo1 71.5(3) . . ?
C5 C4 H4 126.0 . . ?
Mo1 C6 H6 121.2 . . ?
C7 C6 Mo1 74.2(3) . . ?
C7 C6 C5 107.8(4) . . ?
C7 C6 H6 126.1 . . ?
C5 C6 Mo1 70.2(3) . . ?
C5 C6 H6 126.1 . . ?
Mo8 C55 H55 119.4 . . ?
C54 C55 Mo8 73.8(3) . . ?
C54 C55 H55 126.0 . . ?
C54 C55 C56 108.0(5) . . ?
C56 C55 Mo8 72.7(3) . . ?
C56 C55 H55 126.0 . . ?
Mo8 C52 H52 121.9 . . ?
C53 C52 Mo8 73.7(3) . . ?
C53 C52 H52 125.9 . . ?
C53 C52 C56 108.2(5) . . ?
C56 C52 Mo8 70.2(3) . . ?
C56 C52 H52 125.9 . . ?
Mo7 C46 H46 118.7 . . ?
C45 C46 Mo7 72.5(3) . . ?
C45 C46 H46 125.5 . . ?
C47 C46 Mo7 75.1(3) . . ?
C47 C46 C45 109.0(5) . . ?
C47 C46 H46 125.5 . . ?
O8 C23 Mo4 173.8(6) . . ?
Mo7 C47 H47 122.7 . . ?
C48 C47 Mo7 73.1(3) . . ?
C48 C47 H47 126.0 . . ?
C46 C47 Mo7 69.8(3) . . ?
C46 C47 C48 108.1(5) . . ?
C46 C47 H47 126.0 . . ?
Mo5 C35 H35 119.9 . . ?
C34 C35 Mo5 71.8(3) . . ?
C34 C35 H35 125.5 . . ?
C31 C35 Mo5 74.5(3) . . ?
C31 C35 C34 109.0(5) . . ?
C31 C35 H35 125.5 . . ?
Mo5 C31 H31 121.8 . . ?
C32 C31 Mo5 73.5(3) . . ?
C32 C31 H31 125.7 . . ?
C35 C31 Mo5 70.6(3) . . ?
C35 C31 C32 108.5(5) . . ?
C35 C31 H31 125.7 . . ?
Mo8 C56 H56 119.9 . . ?
C55 C56 Mo8 71.6(3) . . ?
C55 C56 C52 107.3(5) . . ?
C55 C56 H56 126.3 . . ?
C52 C56 Mo8 74.1(3) . . ?
C52 C56 H56 126.3 . . ?
Mo4 C25 H25 119.4 . . ?
C24 C25 Mo4 74.6(3) . . ?
C24 C25 H25 125.5 . . ?
C24 C25 C26 109.0(5) . . ?
C26 C25 Mo4 72.3(4) . . ?
C26 C25 H25 125.5 . . ?
Mo4 C24 H24 121.7 . . ?
C25 C24 Mo4 70.2(4) . . ?
C25 C24 H24 125.8 . . ?
C25 C24 C28 108.5(6) . . ?
C28 C24 Mo4 74.0(4) . . ?
C28 C24 H24 125.8 . . ?
Mo4 C27 H27 120.5 . . ?
C28 C27 Mo4 75.1(3) . . ?
C28 C27 H27 125.3 . . ?
C28 C27 C26 109.4(6) . . ?
C26 C27 Mo4 70.8(3) . . ?
C26 C27 H27 125.3 . . ?
Mo4 C28 H28 123.8 . . ?
C24 C28 Mo4 70.9(3) . . ?
C24 C28 H28 126.7 . . ?
C27 C28 Mo4 70.3(3) . . ?
C27 C28 C24 106.6(5) . . ?
C27 C28 H28 126.7 . . ?
Mo4 C26 H26 120.0 . . ?
C25 C26 Mo4 72.0(3) . . ?
C25 C26 C27 106.4(6) . . ?
C25 C26 H26 126.8 . . ?
C27 C26 Mo4 73.2(3) . . ?
C27 C26 H26 126.8 . . ?
Mo2 As1B Mo1 71.3(3) . . ?
Mo2 As1B Sb1B 66.1(3) . . ?
Cu1 As1B Mo2 114.4(4) . . ?
Cu1 As1B Mo1 108.0(4) . . ?
Cu1 As1B Sb1B 59.7(3) . . ?
Sb1B As1B Mo1 60.8(3) . . ?
Mo1 Sb1B Mo2 68.46(18) . . ?
Cu1 Sb1B Mo2 105.1(3) . . ?
Cu1 Sb1B Mo1 107.8(3) . . ?
Cu1 Sb1B As1B 57.8(3) . . ?
As1B Sb1B Mo2 56.8(3) . . ?
As1B Sb1B Mo1 62.5(3) . . ?
Mo4 As2B Mo3 72.0(2) . . ?
Cu2 As2B Mo3 109.9(3) . . ?
Cu2 As2B Mo4 113.8(4) . . ?
Cu2 As2B Sb2B 61.3(2) . . ?
Sb2B As2B Mo3 62.5(2) . . ?
Sb2B As2B Mo4 63.9(3) . . ?
Mo3 Sb2B Mo4 68.81(14) . . ?
Cu2 Sb2B Mo3 105.48(14) . . ?
Cu2 Sb2B Mo4 106.16(19) . . ?
As2B Sb2B Mo3 60.2(3) . . ?
As2B Sb2B Mo4 58.0(3) . . ?
As2B Sb2B Cu2 57.8(3) . . ?
Mo5 Sb3B Mo6 68.77(9) . . ?
Cu3 Sb3B Mo5 106.7(2) . . ?
Cu3 Sb3B Mo6 105.25(15) . . ?
Cu3 Sb3B As3B 56.9(3) . . ?
As3B Sb3B Mo5 61.1(3) . . ?
As3B Sb3B Mo6 58.7(3) . . ?
Mo6 As3B Mo5 71.0(3) . . ?
Cu3 As3B Mo5 110.0(4) . . ?
Cu3 As3B Mo6 112.6(4) . . ?
Cu3 As3B Sb3B 60.6(2) . . ?
Sb3B As3B Mo5 61.5(2) . . ?
Sb3B As3B Mo6 64.1(2) . . ?
Mo7 As4B Mo8 70.8(3) . . ?
Cu4 As4B Mo8 108.8(4) . . ?
Cu4 As4B Mo7 111.3(3) . . ?
Cu4 As4B Sb4B 57.3(3) . . ?
Sb4B As4B Mo8 61.9(4) . . ?
Sb4B As4B Mo7 66.2(3) . . ?
Mo8 Sb4B Mo7 67.3(2) . . ?
Cu4 Sb4B Mo8 109.9(3) . . ?
Cu4 Sb4B Mo7 106.9(3) . . ?
Cu4 Sb4B As4B 59.9(3) . . ?
As4B Sb4B Mo8 60.8(4) . . ?
As4B Sb4B Mo7 58.3(3) . . ?
Cu2 Br1B Cu1 73.46(18) . . ?
Cu2 Br2B Cu1 73.1(6) . . ?
Cu3 Br0J Cu4 73.7(5) . . ?
Cu3 Br4B Cu4 72.9(4) . . ?
O7A C22A Mo4 179(2) . . ?
O7B C22B Mo4 173.4(18) . . ?

_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 1.114
_oxdiff_exptl_absorpt_empirical_full_min 0.905
####################################################################### 
# 
# 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_133_mp_abs_gaus
_database_code_depnum_ccdc_archive 'CCDC 2330299'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-02-01 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2020-06-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.05.22 svn.r1d9e7f8d for OlexSys, GUI svn.r6115)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C30 H23 As2 Cu Mo4 N O8 Sb2, Al C36 F46 O3, C H2 Cl2'
_chemical_formula_sum            'C67 H25 Al As2 Cl2 Cu F46 Mo4 N O11 Sb2'
_chemical_formula_weight         2832.40
_chemical_melting_point          ?
_chemical_oxdiff_formula         C67H23AlAs2Cl2CuF46Mo4NO11Sb2
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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 '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'
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      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                   20.9582(2)
_cell_length_b                   33.3030(4)
_cell_length_c                   12.1289(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.2370(10)
_cell_angle_gamma                90
_cell_volume                     8168.03(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23996
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      73.8670
_cell_measurement_theta_min      3.8700
_shelx_estimated_absorpt_T_max   0.377
_shelx_estimated_absorpt_T_min   0.035
_exptl_absorpt_coefficient_mu    13.448
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.012
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.54a (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    2.303
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5392
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 -7 7 0.2162
0 -22 0 0.2945
5 9 -7 0.1755
5 2 -8 0.1696
-2 21 2 0.4171
-13 1 0 0.0446
13 -1 0 0.0446
2 -7 -7 0.2653
-2 7 7 0.2576
-9 7 7 0.2268
13 2 -1 0.0749
13 4 0 0.1049
13 6 -3 0.1160
-13 -4 4 0.1504
5 19 1 0.3725
9 10 -6 0.1619
5 11 -7 0.1855
1 10 -7 0.1850
0 12 -6 0.2015
2 2 -8 0.1706

_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.09
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
-5.1438 -7.3682 7.3183 -0.4913 0.4192 0.7635
0.3576 -21.6049 -0.1623 -0.7067 0.6032 -0.3699
4.9993 8.6498 -7.1360 0.5274 -0.4500 -0.7207
5.4927 2.4031 -7.7290 0.3416 -0.2914 -0.8935
-1.8089 20.6973 2.2087 0.6073 -0.5184 0.6021
-13.0738 0.7311 -0.1160 0.6419 0.7522 0.1489
13.0738 -0.7311 0.1160 -0.6419 -0.7522 -0.1489
1.9676 -7.3485 -7.3513 0.1644 0.1925 -0.9674
-1.7155 7.3186 7.3374 -0.1762 -0.2063 0.9625
-8.8492 7.0114 6.5552 0.1995 0.2339 0.9516
13.4572 2.4776 -1.3027 -0.4603 -0.8485 -0.2613
12.7183 4.2823 0.3203 -0.4764 -0.8782 -0.0412
12.9660 6.0896 -2.8438 -0.2165 -0.9031 -0.3708
-12.7614 -3.6306 4.2488 0.1921 0.8017 0.5660
5.3752 19.2485 0.8965 0.3131 -0.8834 0.3487
9.3352 9.8844 -5.7176 0.2695 -0.7602 -0.5912
5.0027 11.0015 -6.9954 0.5940 -0.5198 -0.6671
1.0020 10.0009 -6.9973 0.7485 -0.2548 -0.6374
0.0028 12.0015 -5.9981 0.7928 -0.2666 -0.4814
1.9993 1.9988 -7.9963 0.5096 -0.0700 -0.8900

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            36804
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.061
_diffrn_reflns_theta_min         3.438
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -5.00  31.00   1.00    1.00    --  -44.92  19.00 -60.00   36
  2  ω     -5.00  31.00   1.00    1.00    --  -44.92  19.00  90.00   36
  3  ω     -5.00  31.00   1.00    1.00    --  -44.92  19.00   0.00   36
  4  ω     -5.00  31.00   1.00    1.00    --  -44.92  19.00 -30.00   36
  5  ω     27.00  98.00   1.00    1.00    --   44.92-125.00-180.00   71
  6  ω     35.00  93.00   1.00    4.00    --  104.50 -61.00 120.00   58
  7  ω     35.00  93.00   1.00    4.00    --  104.50 -61.00  60.00   58
  8  ω    103.00 176.00   1.00    4.00    --  104.50  77.00-180.00   73
  9  ω     36.00  72.00   1.00    4.00    --  104.50 -45.00 150.00   36
 10  ω     30.00 178.00   1.00    4.00    --  104.50   0.00   0.00  148
 11  ω   -113.00 -88.00   1.00    1.00    --  -44.92 -57.00   0.00   25
 12  ω   -113.00 -21.00   1.00    1.00    --  -44.92 -57.00-180.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0466891000
_diffrn_orient_matrix_UB_12      0.0324406000
_diffrn_orient_matrix_UB_13      -0.0672883000
_diffrn_orient_matrix_UB_21      -0.0590250000
_diffrn_orient_matrix_UB_22      -0.0287958000
_diffrn_orient_matrix_UB_23      -0.0131975000
_diffrn_orient_matrix_UB_31      -0.0114902000
_diffrn_orient_matrix_UB_32      0.0160867000
_diffrn_orient_matrix_UB_33      0.1124445000
_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              'GV50 (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14735
_reflns_number_total             15774
_reflns_odcompleteness_completeness 98.80
_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 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.54a (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         1.265
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       0.000046(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1302
_refine_ls_number_reflns         15774
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0467
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0743P)²+17.2915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1255
_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
 Sb1B-As1B \\sim Sb1A-As1A
 with sigma of 0.02
 Cl1A-C67A \\sim Cl2A-C67A \\sim Cl1B-C67B \\sim Cl2B-C67B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
As1A \\sim Sb1B \\sim As1B \\sim Sb1A: within 2.8A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2.8A
C67B \\sim Cl2B \\sim C67A \\sim Cl1A \\sim Cl2A \\sim Cl1B: within 1.9A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.9A
4. Others
 Sof(As1B)=Sof(Sb1B)=1-FVAR(1)
 Sof(Sb1A)=Sof(As1A)=FVAR(1)
 Sof(Sb2B)=Sof(As2B)=1-FVAR(2)
 Sof(Sb2A)=Sof(As2A)=FVAR(2)
 Sof(Cl2B)=Sof(Cl1B)=Sof(C67B)=Sof(H67C)=Sof(H67D)=1-FVAR(3)
 Sof(Cl1A)=Sof(Cl2A)=Sof(C67A)=Sof(H67A)=Sof(H67B)=FVAR(3)
5.a Secondary CH2 refined with riding coordinates:
 C67A(H67A,H67B), C67B(H67C,H67D)
5.b Aromatic/amide H refined with riding coordinates:
 C25(H25), C26(H26), C7(H7), C21(H21), C17(H17), C24(H24), C27(H27), C13(H13),
 C14(H14), C6(H6), C3(H3), C5(H5), C28(H28), C20(H20), C12(H12), C10(H10),
 C4(H4), C11(H11), C18(H18), C19(H19)
5.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C)
;
_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 0.62008(2) 0.63564(2) 0.70247(3) 0.02265(10) Uani 1 1 d . . . . .
Mo2 Mo 0.54312(2) 0.71415(2) 0.70123(3) 0.02246(10) Uani 1 1 d . . . . .
Mo3 Mo 0.75399(2) 0.86334(2) 0.73545(3) 0.02357(10) Uani 1 1 d . . . . .
Mo4 Mo 0.89387(2) 0.82929(2) 0.84251(3) 0.02331(10) Uani 1 1 d . . . . .
Sb1A Sb 0.65222(11) 0.71020(7) 0.62004(16) 0.0263(3) Uani 0.695(4) 1 d D U P A
1
Sb2A Sb 0.77527(6) 0.80361(4) 0.89680(13) 0.0265(3) Uani 0.657(4) 1 d . . P A 1
As1A As 0.6624(3) 0.6965(2) 0.8289(4) 0.0223(5) Uani 0.695(4) 1 d D U P A 1
As2A As 0.79936(18) 0.79242(12) 0.7041(3) 0.0270(5) Uani 0.657(4) 1 d . . P A 1
Cu1 Cu 0.75434(3) 0.73392(2) 0.78404(7) 0.02607(16) Uani 1 1 d . . . . .
Al1 Al 0.77496(5) 0.40425(4) 0.96202(10) 0.0133(2) Uani 1 1 d . . . . .
F8 F 0.86251(13) 0.42760(8) 0.6944(2) 0.0241(5) Uani 1 1 d . . . . .
F17 F 0.87600(13) 0.29145(8) 0.8081(2) 0.0272(6) Uani 1 1 d . . . . .
F1 F 0.81230(12) 0.40093(8) 1.1023(2) 0.0200(5) Uani 1 1 d . . . . .
F12 F 0.93264(12) 0.40020(8) 1.0508(2) 0.0237(6) Uani 1 1 d . . . . .
F19 F 0.76613(13) 0.36770(8) 0.6837(2) 0.0232(5) Uani 1 1 d . . . . .
F38 F 0.61802(13) 0.47969(8) 0.7896(2) 0.0265(6) Uani 1 1 d . . . . .
F46 F 0.75197(13) 0.47598(8) 1.1268(2) 0.0244(6) Uani 1 1 d . . . . .
F23 F 0.66216(13) 0.31669(9) 0.7386(2) 0.0268(6) Uani 1 1 d . . . . .
F26 F 0.71040(14) 0.28247(8) 0.9353(2) 0.0273(6) Uani 1 1 d . . . . .
F33 F 0.63292(13) 0.35537(8) 0.9616(2) 0.0269(6) Uani 1 1 d . . . . .
F18 F 0.88516(12) 0.35579(8) 0.8442(2) 0.0247(6) Uani 1 1 d . . . . .
F10 F 0.95585(13) 0.49900(9) 0.8804(3) 0.0303(6) Uani 1 1 d . . . . .
F3 F 0.76906(13) 0.50625(8) 0.9262(2) 0.0237(5) Uani 1 1 d . . . . .
F41 F 0.64360(14) 0.49794(9) 1.0067(3) 0.0314(6) Uani 1 1 d . . . . .
F34 F 0.61544(14) 0.39372(9) 0.7559(2) 0.0302(6) Uani 1 1 d . . . . .
F31 F 0.74888(14) 0.32931(8) 1.1015(2) 0.0271(6) Uani 1 1 d . . . . .
F16 F 0.86806(15) 0.53581(8) 1.0934(3) 0.0288(6) Uani 1 1 d . . . . .
F9 F 0.94146(14) 0.46723(10) 0.6766(3) 0.0330(7) Uani 1 1 d . . . . .
F25 F 0.78714(15) 0.25133(8) 0.8793(2) 0.0294(6) Uani 1 1 d . . . . .
F2 F 0.85151(15) 0.53890(8) 0.8884(3) 0.0291(6) Uani 1 1 d . . . . .
F11 F 0.95861(12) 0.43376(9) 0.8854(2) 0.0276(6) Uani 1 1 d . . . . .
F21 F 0.77936(15) 0.26503(9) 0.6376(3) 0.0323(7) Uani 1 1 d . . . . .
F20 F 0.83795(14) 0.33322(9) 0.6232(3) 0.0315(6) Uani 1 1 d . . . . .
F4 F 0.74399(13) 0.47031(9) 0.7170(2) 0.0290(6) Uani 1 1 d . . . . .
F24 F 0.67811(15) 0.25297(9) 0.7172(3) 0.0331(7) Uani 1 1 d . . . . .
F15 F 0.91873(15) 0.52954(9) 1.3121(3) 0.0330(7) Uani 1 1 d . . . . .
O10 O 0.76516(14) 0.35654(9) 0.9006(2) 0.0163(6) Uani 1 1 d . . . . .
F32 F 0.54772(13) 0.38792(10) 0.9892(3) 0.0358(7) Uani 1 1 d . . . . .
O9 O 0.82469(13) 0.43336(9) 0.8978(2) 0.0148(6) Uani 1 1 d . . . . .
F6 F 0.87225(19) 0.53172(10) 0.6807(3) 0.0407(8) Uani 1 1 d . . . . .
F22 F 0.70393(15) 0.30847(9) 0.5571(2) 0.0331(7) Uani 1 1 d . . . . .
F27 F 0.94819(15) 0.30027(10) 0.9972(3) 0.0399(8) Uani 1 1 d . . . . .
F13 F 0.98243(15) 0.39639(10) 1.2716(3) 0.0366(7) Uani 1 1 d . . . . .
F45 F 0.81448(16) 0.46979(10) 1.3417(3) 0.0380(8) Uani 1 1 d . . . . .
F36 F 0.47534(14) 0.43316(12) 0.8198(3) 0.0470(9) Uani 1 1 d . . . . .
F42 F 0.61857(16) 0.36367(10) 1.1691(3) 0.0381(8) Uani 1 1 d . . . . .
F7 F 0.80945(17) 0.48876(11) 0.5670(3) 0.0400(8) Uani 1 1 d . . . . .
F35 F 0.52794(16) 0.36449(10) 0.7806(3) 0.0427(9) Uani 1 1 d . . . . .
F37 F 0.51521(16) 0.44115(10) 0.6723(3) 0.0425(8) Uani 1 1 d . . . . .
F40 F 0.55901(15) 0.46472(11) 1.0307(3) 0.0381(7) Uani 1 1 d . . . . .
F14 F 0.97826(16) 0.46058(11) 1.4085(3) 0.0388(7) Uani 1 1 d . . . . .
F39 F 0.53145(15) 0.50337(10) 0.8344(3) 0.0418(8) Uani 1 1 d . . . . .
O11 O 0.69754(13) 0.42662(9) 0.9445(2) 0.0155(6) Uani 1 1 d . . . . .
F5 F 0.75359(18) 0.53508(10) 0.7111(3) 0.0413(8) Uani 1 1 d . . . . .
F30 F 0.8140(2) 0.32419(10) 1.3158(3) 0.0441(9) Uani 1 1 d . . . . .
F28 F 1.00840(18) 0.29135(11) 1.2129(3) 0.0529(11) Uani 1 1 d . . . . .
O7 O 0.93608(18) 0.75231(12) 0.9923(4) 0.0407(10) Uani 1 1 d . . . . .
O6 O 0.7946(2) 0.87530(13) 0.5070(4) 0.0399(9) Uani 1 1 d . . . . .
O1 O 0.76264(19) 0.62076(12) 0.6767(4) 0.0403(9) Uani 1 1 d . . . . .
O4 O 0.51215(18) 0.67850(13) 0.9193(3) 0.0357(9) Uani 1 1 d . . . . .
F43 F 0.6869(3) 0.35771(14) 1.3791(3) 0.0689(15) Uani 1 1 d . . . . .
F29 F 0.9444(2) 0.30286(12) 1.3772(3) 0.0617(12) Uani 1 1 d . . . . .
O5 O 0.62752(19) 0.81738(15) 0.6018(4) 0.0492(12) Uani 1 1 d . . . . .
O3 O 0.5939(2) 0.79535(13) 0.8237(4) 0.0474(11) Uani 1 1 d . . . . .
O2 O 0.5679(2) 0.63203(14) 0.4369(4) 0.0514(12) Uani 1 1 d . . . . .
F44 F 0.7863(2) 0.40924(14) 1.4723(3) 0.0632(13) Uani 1 1 d . . . . .
O8 O 0.8881(2) 0.87346(17) 1.0685(4) 0.0531(12) Uani 1 1 d . . . . .
N1 N 0.8290(2) 0.69428(13) 0.8276(4) 0.0325(10) Uani 1 1 d . . . . .
C38 C 0.9293(2) 0.43382(14) 1.1094(4) 0.0208(9) Uani 1 1 d . . . . .
C16 C 0.7815(2) 0.86832(15) 0.5924(5) 0.0294(11) Uani 1 1 d . . . . .
C31 C 0.86373(19) 0.46659(13) 0.9244(4) 0.0150(8) Uani 1 1 d . . . . .
C59 C 0.5717(2) 0.47140(15) 0.8455(5) 0.0276(10) Uani 1 1 d . . . . .
C60 C 0.6067(2) 0.46496(15) 0.9740(4) 0.0253(10) Uani 1 1 d . . . . .
C36 C 0.9179(2) 0.46519(14) 0.8566(4) 0.0200(9) Uani 1 1 d . . . . .
C22 C 0.9183(2) 0.77994(16) 0.9367(5) 0.0315(11) Uani 1 1 d . . . . .
C9 C 0.5272(2) 0.69166(16) 0.8434(5) 0.0300(11) Uani 1 1 d . . . . .
C47 C 0.7092(2) 0.28880(14) 0.7447(4) 0.0243(10) Uani 1 1 d . . . . .
C55 C 0.6486(2) 0.42520(14) 1.0003(4) 0.0203(9) Uani 1 1 d . . . . .
C8 C 0.5775(3) 0.76511(17) 0.7807(5) 0.0330(11) Uani 1 1 d . . . . .
C32 C 0.8187(2) 0.50350(13) 0.8751(4) 0.0203(9) Uani 1 1 d . . . . .
C44 C 0.8419(2) 0.32533(13) 0.8178(4) 0.0214(9) Uani 1 1 d . . . . .
C37 C 0.89849(19) 0.46874(13) 1.0554(4) 0.0167(8) Uani 1 1 d . . . . .
C35 C 0.8902(2) 0.46330(14) 0.7248(4) 0.0217(9) Uani 1 1 d . . . . .
C45 C 0.7979(2) 0.33257(14) 0.6937(4) 0.0225(9) Uani 1 1 d . . . . .
C48 C 0.7526(2) 0.28566(13) 0.8706(4) 0.0223(9) Uani 1 1 d . . . . .
C39 C 0.9560(2) 0.43116(15) 1.2261(4) 0.0262(10) Uani 1 1 d . . . . .
C56 C 0.6009(2) 0.39051(15) 0.9455(4) 0.0237(9) Uani 1 1 d . . . . .
C54 C 0.8126(3) 0.31971(14) 1.1214(4) 0.0264(10) Uani 1 1 d . . . . .
C15 C 0.6754(3) 0.83305(18) 0.6506(5) 0.0376(13) Uani 1 1 d . . . . .
C66 C 0.7302(2) 0.44724(15) 1.1851(4) 0.0235(9) Uani 1 1 d . . . . .
C58 C 0.5320(2) 0.43524(17) 0.7870(5) 0.0310(11) Uani 1 1 d . . . . .
C46 C 0.7471(2) 0.29834(15) 0.6561(4) 0.0243(10) Uani 1 1 d . . . . .
C42 C 0.8968(2) 0.50023(14) 1.1296(4) 0.0221(9) Uani 1 1 d . . . . .
C1 C 0.7104(3) 0.62827(15) 0.6856(5) 0.0312(11) Uani 1 1 d . . . . .
C43 C 0.8012(2) 0.32199(13) 0.9082(4) 0.0185(8) Uani 1 1 d . . . . .
C41 C 0.9237(2) 0.49773(16) 1.2462(4) 0.0261(10) Uani 1 1 d . . . . .
C29 C 0.8654(2) 0.66854(15) 0.8447(4) 0.0280(10) Uani 1 1 d . . . . .
C49 C 0.8430(2) 0.31420(13) 1.0331(4) 0.0233(10) Uani 1 1 d . . . . .
C57 C 0.5701(2) 0.39524(15) 0.8144(4) 0.0286(11) Uani 1 1 d . . . . .
C25 C 0.9331(2) 0.87510(16) 0.7262(5) 0.0298(11) Uani 1 1 d . . . . .
H25 H 0.906600 0.896007 0.684429 0.036 Uiso 1 1 calc R U . . .
C33 C 0.7873(2) 0.50074(15) 0.7445(4) 0.0263(10) Uani 1 1 d . . . . .
C61 C 0.6783(2) 0.42150(15) 1.1319(4) 0.0229(9) Uani 1 1 d . . . . .
C65 C 0.7650(3) 0.44411(17) 1.2974(4) 0.0309(11) Uani 1 1 d . . . . .
C40 C 0.9534(2) 0.46323(17) 1.2958(4) 0.0281(11) Uani 1 1 d . . . . .
C2 C 0.5883(3) 0.63593(16) 0.5340(5) 0.0357(12) Uani 1 1 d . . . . .
C23 C 0.8873(2) 0.85665(19) 0.9846(5) 0.0362(13) Uani 1 1 d . . . . .
C26 C 0.9394(3) 0.83592(19) 0.6846(6) 0.0411(13) Uani 1 1 d . . . . .
H26 H 0.917691 0.825911 0.611000 0.049 Uiso 1 1 calc R U . . .
C7 C 0.5981(3) 0.60443(17) 0.8629(5) 0.0389(13) Uani 1 1 d . . . . .
H7 H 0.605443 0.617433 0.934894 0.047 Uiso 1 1 calc R U . . .
C51 C 0.9433(3) 0.30044(16) 1.1833(5) 0.0416(15) Uani 1 1 d . . . . .
C21 C 0.6794(3) 0.9000(2) 0.8014(6) 0.0411(14) Uani 1 1 d . . . . .
H21 H 0.639337 0.887636 0.806358 0.049 Uiso 1 1 calc R U . . .
C17 C 0.6898(3) 0.91987(18) 0.7043(5) 0.0390(13) Uani 1 1 d . . . . .
H17 H 0.658006 0.923522 0.633024 0.047 Uiso 1 1 calc R U . . .
C53 C 0.8459(3) 0.31647(15) 1.2358(4) 0.0337(12) Uani 1 1 d . . . . .
C24 C 0.9723(2) 0.87798(18) 0.8391(5) 0.0366(13) Uani 1 1 d . . . . .
H24 H 0.976315 0.900867 0.887145 0.044 Uiso 1 1 calc R U . . .
C34 C 0.8395(3) 0.49650(16) 0.6763(4) 0.0290(10) Uani 1 1 d . . . . .
C50 C 0.9104(3) 0.30470(14) 1.0694(5) 0.0310(12) Uani 1 1 d . . . . .
C27 C 0.9837(3) 0.8146(2) 0.7722(7) 0.0482(16) Uani 1 1 d . . . . .
H27 H 0.997335 0.787524 0.768105 0.058 Uiso 1 1 calc R U . . .
C13 C 0.4865(3) 0.7230(2) 0.5086(5) 0.0476(17) Uani 1 1 d . . . . .
H13 H 0.508726 0.723513 0.449721 0.057 Uiso 1 1 calc R U . . .
C62 C 0.6655(3) 0.39169(17) 1.2039(4) 0.0312(11) Uani 1 1 d . . . . .
C63 C 0.7009(3) 0.3878(2) 1.3166(5) 0.0425(15) Uani 1 1 d . . . . .
C14 C 0.4754(3) 0.7561(2) 0.5724(6) 0.0534(18) Uani 1 1 d . . . . .
H14 H 0.489238 0.782832 0.564051 0.064 Uiso 1 1 calc R U . . .
C6 C 0.5379(3) 0.60430(17) 0.7743(6) 0.0374(13) Uani 1 1 d . . . . .
H6 H 0.497834 0.617214 0.776513 0.045 Uiso 1 1 calc R U . . .
C3 C 0.6447(3) 0.58174(17) 0.8242(6) 0.0426(14) Uani 1 1 d . . . . .
H3 H 0.689201 0.576943 0.865753 0.051 Uiso 1 1 calc R U . . .
C52 C 0.9114(3) 0.30652(16) 1.2672(5) 0.0395(15) Uani 1 1 d . . . . .
C5 C 0.5486(3) 0.58160(17) 0.6832(6) 0.0428(15) Uani 1 1 d . . . . .
H5 H 0.516816 0.576674 0.612701 0.051 Uiso 1 1 calc R U . . .
C28 C 1.0048(2) 0.8407(2) 0.8686(6) 0.0491(18) Uani 1 1 d . . . . .
H28 H 1.035078 0.834253 0.939536 0.059 Uiso 1 1 calc R U . . .
C30 C 0.9107(3) 0.63466(18) 0.8666(5) 0.0386(13) Uani 1 1 d . . . . .
H30A H 0.918873 0.625677 0.794570 0.058 Uiso 1 1 calc R U . . .
H30B H 0.891149 0.612627 0.900254 0.058 Uiso 1 1 calc R U . . .
H30C H 0.952504 0.642821 0.919612 0.058 Uiso 1 1 calc R U . . .
C20 C 0.7386(3) 0.9016(2) 0.8891(5) 0.0432(14) Uani 1 1 d . . . . .
H20 H 0.745414 0.890677 0.963696 0.052 Uiso 1 1 calc R U . . .
C12 C 0.4591(3) 0.6888(2) 0.5469(6) 0.058(2) Uani 1 1 d . . . . .
H12 H 0.459157 0.662085 0.519860 0.069 Uiso 1 1 calc R U . . .
C10 C 0.4415(3) 0.7439(3) 0.6485(6) 0.0548(19) Uani 1 1 d . . . . .
H10 H 0.427484 0.760576 0.701329 0.066 Uiso 1 1 calc R U . . .
C4 C 0.6143(3) 0.56734(16) 0.7134(6) 0.0407(14) Uani 1 1 d . . . . .
H4 H 0.634319 0.551033 0.667676 0.049 Uiso 1 1 calc R U . . .
C64 C 0.7506(3) 0.4139(2) 1.3641(4) 0.0412(14) Uani 1 1 d . . . . .
C11 C 0.4311(3) 0.7029(3) 0.6350(6) 0.058(2) Uani 1 1 d . . . . .
H11 H 0.408828 0.686737 0.677645 0.069 Uiso 1 1 calc R U . . .
C18 C 0.7565(3) 0.93340(16) 0.7331(5) 0.0362(12) Uani 1 1 d . . . . .
H18 H 0.777304 0.947473 0.683904 0.043 Uiso 1 1 calc R U . . .
C19 C 0.7864(3) 0.92240(18) 0.8468(5) 0.0389(13) Uani 1 1 d . . . . .
H19 H 0.830745 0.927889 0.888000 0.047 Uiso 1 1 calc R U . . .
As1B As 0.6502(5) 0.7074(3) 0.6470(6) 0.0288(12) Uani 0.305(4) 1 d D U P A 2
Sb1B Sb 0.6635(5) 0.6965(3) 0.8516(6) 0.0302(10) Uani 0.305(4) 1 d D U P A 2
Sb2B Sb 0.80576(19) 0.78873(13) 0.6751(3) 0.0297(7) Uani 0.343(4) 1 d . . P A 2
As2B As 0.7830(2) 0.80207(14) 0.8636(3) 0.0200(7) Uani 0.343(4) 1 d . . P A 2
Cl1A Cl 0.62073(12) 0.43223(12) 0.4926(2) 0.0744(10) Uani 0.734(5) 1 d D U P B
1
Cl2A Cl 0.6502(2) 0.51335(12) 0.4222(4) 0.0954(13) Uani 0.734(5) 1 d D U P B 1
C67A C 0.6007(8) 0.4734(4) 0.4034(16) 0.113(4) Uani 0.734(5) 1 d D U P B 1
H67A H 0.595604 0.463811 0.324373 0.136 Uiso 0.734(5) 1 calc R U P B 1
H67B H 0.556647 0.482896 0.407776 0.136 Uiso 0.734(5) 1 calc R U P B 1
Cl2B Cl 0.5842(5) 0.4875(3) 0.5141(7) 0.085(3) Uani 0.266(5) 1 d D U P B 2
Cl1B Cl 0.6162(4) 0.4894(3) 0.3044(8) 0.074(2) Uani 0.266(5) 1 d D U P B 2
C67B C 0.617(2) 0.5134(10) 0.427(2) 0.105(5) Uani 0.266(5) 1 d D U P B 2
H67C H 0.663389 0.520022 0.466904 0.125 Uiso 0.266(5) 1 calc R U P B 2
H67D H 0.592638 0.539041 0.407940 0.125 Uiso 0.266(5) 1 calc R 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
Mo1 Mo2 3.0698(5) . ?
Mo1 Sb1A 2.824(2) . ?
Mo1 As1A 2.556(7) . ?
Mo1 C1 1.973(6) . ?
Mo1 C2 1.976(6) . ?
Mo1 C7 2.356(6) . ?
Mo1 C6 2.367(5) . ?
Mo1 C3 2.295(6) . ?
Mo1 C5 2.314(5) . ?
Mo1 C4 2.284(5) . ?
Mo1 As1B 2.605(9) . ?
Mo1 Sb1B 2.709(9) . ?
Mo2 Sb1A 2.720(2) . ?
Mo2 As1A 2.639(6) . ?
Mo2 C9 1.987(6) . ?
Mo2 C8 1.991(6) . ?
Mo2 C13 2.344(6) . ?
Mo2 C14 2.290(6) . ?
Mo2 C12 2.363(6) . ?
Mo2 C10 2.284(5) . ?
Mo2 C11 2.304(5) . ?
Mo2 As1B 2.510(9) . ?
Mo2 Sb1B 2.761(9) . ?
Mo3 Mo4 3.0928(5) . ?
Mo3 Sb2A 2.7434(15) . ?
Mo3 As2A 2.611(4) . ?
Mo3 C16 1.974(6) . ?
Mo3 C15 1.975(6) . ?
Mo3 C21 2.287(6) . ?
Mo3 C17 2.287(5) . ?
Mo3 C20 2.349(6) . ?
Mo3 C18 2.334(5) . ?
Mo3 C19 2.381(6) . ?
Mo3 Sb2B 2.881(4) . ?
Mo3 As2B 2.540(4) . ?
Mo4 Sb2A 2.8642(15) . ?
Mo4 As2A 2.550(4) . ?
Mo4 C22 1.990(5) . ?
Mo4 C25 2.367(5) . ?
Mo4 C23 1.986(6) . ?
Mo4 C26 2.364(6) . ?
Mo4 C24 2.317(5) . ?
Mo4 C27 2.315(6) . ?
Mo4 C28 2.294(5) . ?
Mo4 Sb2B 2.718(4) . ?
Mo4 As2B 2.570(4) . ?
Sb1A As1A 2.527(4) . ?
Sb1A Cu1 2.631(2) . ?
Sb2A As2A 2.545(2) . ?
Sb2A Cu1 2.6708(17) . ?
As1A Cu1 2.472(7) . ?
As2A Cu1 2.471(4) . ?
Cu1 N1 2.008(4) . ?
Cu1 As1B 2.530(9) . ?
Cu1 Sb1B 2.582(10) . ?
Cu1 Sb2B 2.643(4) . ?
Cu1 As2B 2.477(5) . ?
Al1 F1 1.679(3) . ?
Al1 O10 1.744(3) . ?
Al1 O9 1.749(3) . ?
Al1 O11 1.747(3) . ?
F8 C35 1.332(5) . ?
F17 C44 1.358(5) . ?
F12 C38 1.338(5) . ?
F19 C45 1.335(5) . ?
F38 C59 1.350(6) . ?
F46 C66 1.340(5) . ?
F23 C47 1.342(6) . ?
F26 C48 1.333(6) . ?
F33 C56 1.338(6) . ?
F18 C44 1.342(5) . ?
F10 C36 1.365(5) . ?
F3 C32 1.346(5) . ?
F41 C60 1.343(6) . ?
F34 C57 1.329(6) . ?
F31 C54 1.333(6) . ?
F16 C42 1.350(6) . ?
F9 C35 1.357(5) . ?
F25 C48 1.342(5) . ?
F2 C32 1.353(5) . ?
F11 C36 1.338(5) . ?
F21 C46 1.348(6) . ?
F20 C45 1.346(6) . ?
F4 C33 1.342(6) . ?
F24 C47 1.358(5) . ?
F15 C41 1.348(6) . ?
O10 C43 1.367(5) . ?
F32 C56 1.357(6) . ?
O9 C31 1.364(5) . ?
F6 C34 1.353(6) . ?
F22 C46 1.343(5) . ?
F27 C50 1.333(7) . ?
F13 C39 1.338(6) . ?
F45 C65 1.343(6) . ?
F36 C58 1.348(6) . ?
F42 C62 1.341(6) . ?
F7 C34 1.335(6) . ?
F35 C57 1.344(5) . ?
F37 C58 1.356(6) . ?
F40 C60 1.354(5) . ?
F14 C40 1.332(6) . ?
F39 C59 1.343(6) . ?
O11 C55 1.370(5) . ?
F5 C33 1.349(6) . ?
F30 C53 1.341(7) . ?
F28 C51 1.350(7) . ?
O7 C22 1.143(7) . ?
O6 C16 1.162(7) . ?
O1 C1 1.154(7) . ?
O4 C9 1.136(7) . ?
F43 C63 1.334(7) . ?
F29 C52 1.337(6) . ?
O5 C15 1.148(7) . ?
O3 C8 1.144(7) . ?
O2 C2 1.149(7) . ?
F44 C64 1.338(6) . ?
O8 C23 1.157(8) . ?
N1 C29 1.130(7) . ?
C38 C37 1.406(6) . ?
C38 C39 1.381(7) . ?
C31 C36 1.568(6) . ?
C31 C32 1.569(6) . ?
C31 C37 1.566(6) . ?
C59 C60 1.553(7) . ?
C59 C58 1.529(7) . ?
C60 C55 1.575(7) . ?
C36 C35 1.552(6) . ?
C47 C48 1.562(6) . ?
C47 C46 1.529(7) . ?
C55 C56 1.558(6) . ?
C55 C61 1.558(6) . ?
C32 C33 1.550(7) . ?
C44 C45 1.564(6) . ?
C44 C43 1.560(7) . ?
C37 C42 1.388(6) . ?
C35 C34 1.540(7) . ?
C45 C46 1.544(6) . ?
C48 C43 1.570(6) . ?
C39 C40 1.372(7) . ?
C56 C57 1.559(7) . ?
C54 C49 1.394(8) . ?
C54 C53 1.384(7) . ?
C66 C61 1.401(6) . ?
C66 C65 1.369(7) . ?
C58 C57 1.544(7) . ?
C42 C41 1.380(7) . ?
C43 C49 1.559(6) . ?
C41 C40 1.369(8) . ?
C29 C30 1.454(7) . ?
C49 C50 1.402(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.417(9) . ?
C25 C24 1.402(8) . ?
C33 C34 1.541(7) . ?
C61 C62 1.394(7) . ?
C65 C64 1.374(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.406(9) . ?
C7 H7 0.9500 . ?
C7 C6 1.426(8) . ?
C7 C3 1.409(10) . ?
C51 C50 1.380(8) . ?
C51 C52 1.372(10) . ?
C21 H21 0.9500 . ?
C21 C17 1.417(8) . ?
C21 C20 1.408(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.423(8) . ?
C53 C52 1.365(9) . ?
C24 H24 0.9500 . ?
C24 C28 1.415(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.431(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.401(11) . ?
C13 C12 1.407(11) . ?
C62 C63 1.378(8) . ?
C63 C64 1.364(8) . ?
C14 H14 0.9500 . ?
C14 C10 1.367(10) . ?
C6 H6 0.9500 . ?
C6 C5 1.405(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.411(9) . ?
C5 H5 0.9500 . ?
C5 C4 1.410(9) . ?
C28 H28 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C20 H20 0.9500 . ?
C20 C19 1.421(9) . ?
C12 H12 0.9500 . ?
C12 C11 1.426(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(12) . ?
C4 H4 0.9500 . ?
C11 H11 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.405(9) . ?
C19 H19 0.9500 . ?
As1B Sb1B 2.451(7) . ?
Sb2B As2B 2.495(4) . ?
Cl1A C67A 1.729(12) . ?
Cl2A C67A 1.665(12) . ?
C67A H67A 0.9900 . ?
C67A H67B 0.9900 . ?
Cl2B C67B 1.650(18) . ?
Cl1B C67B 1.682(18) . ?
C67B H67C 0.9900 . ?
C67B H67D 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
Sb1A Mo1 Mo2 54.78(5) . . ?
As1A Mo1 Mo2 55.03(16) . . ?
As1A Mo1 Sb1A 55.77(12) . . ?
C1 Mo1 Mo2 128.53(15) . . ?
C1 Mo1 Sb1A 75.39(16) . . ?
C1 Mo1 As1A 88.2(2) . . ?
C1 Mo1 C2 88.0(2) . . ?
C1 Mo1 C7 115.6(2) . . ?
C1 Mo1 C6 142.6(2) . . ?
C1 Mo1 C3 84.8(2) . . ?
C1 Mo1 C5 120.4(2) . . ?
C1 Mo1 C4 87.1(2) . . ?
C1 Mo1 As1B 77.4(3) . . ?
C1 Mo1 Sb1B 89.9(3) . . ?
C2 Mo1 Mo2 87.53(17) . . ?
C2 Mo1 Sb1A 71.12(16) . . ?
C2 Mo1 As1A 125.9(2) . . ?
C2 Mo1 C7 140.4(2) . . ?
C2 Mo1 C6 107.6(2) . . ?
C2 Mo1 C3 128.8(2) . . ?
C2 Mo1 C5 82.3(2) . . ?
C2 Mo1 C4 93.2(2) . . ?
C2 Mo1 As1B 76.5(2) . . ?
C2 Mo1 Sb1B 130.5(2) . . ?
C7 Mo1 Mo2 99.40(16) . . ?
C7 Mo1 Sb1A 142.85(17) . . ?
C7 Mo1 As1A 88.1(2) . . ?
C7 Mo1 C6 35.1(2) . . ?
C7 Mo1 As1B 137.0(2) . . ?
C7 Mo1 Sb1B 83.3(2) . . ?
C6 Mo1 Mo2 86.86(14) . . ?
C6 Mo1 Sb1A 141.48(15) . . ?
C6 Mo1 As1A 107.5(2) . . ?
C6 Mo1 As1B 138.5(3) . . ?
C6 Mo1 Sb1B 103.5(3) . . ?
C3 Mo1 Mo2 134.29(18) . . ?
C3 Mo1 Sb1A 151.81(16) . . ?
C3 Mo1 As1A 104.5(2) . . ?
C3 Mo1 C7 35.2(2) . . ?
C3 Mo1 C6 58.7(2) . . ?
C3 Mo1 C5 59.1(2) . . ?
C3 Mo1 As1B 148.7(3) . . ?
C3 Mo1 Sb1B 100.2(2) . . ?
C5 Mo1 Mo2 109.67(16) . . ?
C5 Mo1 Sb1A 148.93(17) . . ?
C5 Mo1 As1A 142.3(2) . . ?
C5 Mo1 C7 58.6(2) . . ?
C5 Mo1 C6 34.9(2) . . ?
C5 Mo1 As1B 151.9(3) . . ?
C5 Mo1 Sb1B 138.1(3) . . ?
C4 Mo1 Mo2 144.34(16) . . ?
C4 Mo1 Sb1A 156.62(19) . . ?
C4 Mo1 As1A 140.4(2) . . ?
C4 Mo1 C7 59.2(2) . . ?
C4 Mo1 C6 59.0(2) . . ?
C4 Mo1 C3 35.9(2) . . ?
C4 Mo1 C5 35.7(2) . . ?
C4 Mo1 As1B 161.6(3) . . ?
C4 Mo1 Sb1B 136.0(2) . . ?
As1B Mo1 Mo2 51.7(2) . . ?
As1B Mo1 Sb1B 54.9(2) . . ?
Sb1B Mo1 Mo2 56.7(2) . . ?
Sb1A Mo2 Mo1 58.00(5) . . ?
As1A Mo2 Mo1 52.53(15) . . ?
As1A Mo2 Sb1A 56.25(12) . . ?
C9 Mo2 Mo1 83.25(16) . . ?
C9 Mo2 Sb1A 130.15(14) . . ?
C9 Mo2 As1A 75.88(19) . . ?
C9 Mo2 C8 91.3(2) . . ?
C9 Mo2 C13 139.1(2) . . ?
C9 Mo2 C14 127.4(2) . . ?
C9 Mo2 C12 107.0(3) . . ?
C9 Mo2 C10 92.8(2) . . ?
C9 Mo2 C11 81.6(2) . . ?
C9 Mo2 As1B 124.0(2) . . ?
C9 Mo2 Sb1B 71.3(2) . . ?
C8 Mo2 Mo1 126.92(16) . . ?
C8 Mo2 Sb1A 89.12(16) . . ?
C8 Mo2 As1A 74.9(2) . . ?
C8 Mo2 C13 113.5(3) . . ?
C8 Mo2 C14 83.7(3) . . ?
C8 Mo2 C12 141.9(2) . . ?
C8 Mo2 C10 87.6(3) . . ?
C8 Mo2 C11 120.9(3) . . ?
C8 Mo2 As1B 88.2(3) . . ?
C8 Mo2 Sb1B 73.1(3) . . ?
C13 Mo2 Mo1 103.87(19) . . ?
C13 Mo2 Sb1A 84.19(15) . . ?
C13 Mo2 As1A 140.03(19) . . ?
C13 Mo2 C12 34.8(3) . . ?
C13 Mo2 As1B 90.2(2) . . ?
C13 Mo2 Sb1B 145.1(2) . . ?
C14 Mo2 Mo1 138.9(2) . . ?
C14 Mo2 Sb1A 102.2(2) . . ?
C14 Mo2 As1A 149.1(3) . . ?
C14 Mo2 C13 35.2(3) . . ?
C14 Mo2 C12 58.5(3) . . ?
C14 Mo2 C11 57.9(3) . . ?
C14 Mo2 As1B 108.2(3) . . ?
C14 Mo2 Sb1B 151.2(3) . . ?
C12 Mo2 Mo1 88.95(19) . . ?
C12 Mo2 Sb1A 102.6(2) . . ?
C12 Mo2 As1A 141.2(2) . . ?
C12 Mo2 As1B 107.0(3) . . ?
C12 Mo2 Sb1B 144.0(3) . . ?
C10 Mo2 Mo1 145.2(2) . . ?
C10 Mo2 Sb1A 137.0(2) . . ?
C10 Mo2 As1A 158.7(3) . . ?
C10 Mo2 C13 58.4(3) . . ?
C10 Mo2 C14 34.8(3) . . ?
C10 Mo2 C12 59.1(3) . . ?
C10 Mo2 C11 35.1(3) . . ?
C10 Mo2 As1B 143.0(3) . . ?
C10 Mo2 Sb1B 154.3(3) . . ?
C11 Mo2 Mo1 110.5(2) . . ?
C11 Mo2 Sb1A 138.0(2) . . ?
C11 Mo2 As1A 152.9(2) . . ?
C11 Mo2 C13 58.0(2) . . ?
C11 Mo2 C12 35.6(3) . . ?
C11 Mo2 As1B 142.6(3) . . ?
C11 Mo2 Sb1B 150.1(3) . . ?
As1B Mo2 Mo1 54.6(2) . . ?
As1B Mo2 Sb1B 55.2(2) . . ?
Sb1B Mo2 Mo1 55.1(2) . . ?
Sb2A Mo3 Mo4 58.41(3) . . ?
As2A Mo3 Mo4 52.28(8) . . ?
As2A Mo3 Sb2A 56.69(7) . . ?
C16 Mo3 Mo4 86.36(14) . . ?
C16 Mo3 Sb2A 131.13(15) . . ?
C16 Mo3 As2A 75.32(16) . . ?
C16 Mo3 C15 88.9(2) . . ?
C16 Mo3 C21 130.3(2) . . ?
C16 Mo3 C17 94.6(2) . . ?
C16 Mo3 C20 141.7(2) . . ?
C16 Mo3 C18 83.8(2) . . ?
C16 Mo3 C19 108.9(2) . . ?
C16 Mo3 Sb2B 68.46(16) . . ?
C16 Mo3 As2B 121.83(17) . . ?
C15 Mo3 Mo4 126.91(17) . . ?
C15 Mo3 Sb2A 87.62(15) . . ?
C15 Mo3 As2A 75.4(2) . . ?
C15 Mo3 C21 84.3(3) . . ?
C15 Mo3 C17 87.7(2) . . ?
C15 Mo3 C20 114.9(3) . . ?
C15 Mo3 C18 121.5(2) . . ?
C15 Mo3 C19 142.4(2) . . ?
C15 Mo3 Sb2B 75.3(2) . . ?
C15 Mo3 As2B 86.62(18) . . ?
C21 Mo3 Mo4 135.12(16) . . ?
C21 Mo3 Sb2A 97.77(16) . . ?
C21 Mo3 As2A 147.35(18) . . ?
C21 Mo3 C17 36.1(2) . . ?
C21 Mo3 C20 35.3(2) . . ?
C21 Mo3 C18 59.4(2) . . ?
C21 Mo3 C19 58.7(2) . . ?
C21 Mo3 Sb2B 152.42(18) . . ?
C21 Mo3 As2B 106.86(18) . . ?
C17 Mo3 Mo4 145.37(16) . . ?
C17 Mo3 Sb2A 133.87(16) . . ?
C17 Mo3 As2A 160.31(18) . . ?
C17 Mo3 C20 59.1(2) . . ?
C17 Mo3 C18 35.8(2) . . ?
C17 Mo3 C19 58.8(2) . . ?
C17 Mo3 Sb2B 155.82(18) . . ?
C17 Mo3 As2B 142.94(18) . . ?
C20 Mo3 Mo4 100.27(15) . . ?
C20 Mo3 Sb2A 81.82(16) . . ?
C20 Mo3 As2A 137.51(17) . . ?
C20 Mo3 C19 35.0(2) . . ?
C20 Mo3 Sb2B 143.96(17) . . ?
C20 Mo3 As2B 90.62(18) . . ?
C18 Mo3 Mo4 110.46(15) . . ?
C18 Mo3 Sb2A 137.18(16) . . ?
C18 Mo3 As2A 153.15(17) . . ?
C18 Mo3 C20 58.4(2) . . ?
C18 Mo3 C19 34.6(2) . . ?
C18 Mo3 Sb2B 147.95(17) . . ?
C18 Mo3 As2B 143.89(18) . . ?
C19 Mo3 Mo4 88.11(14) . . ?
C19 Mo3 Sb2A 103.04(16) . . ?
C19 Mo3 As2A 140.27(16) . . ?
C19 Mo3 Sb2B 141.79(16) . . ?
C19 Mo3 As2B 109.26(18) . . ?
Sb2B Mo3 Mo4 53.98(8) . . ?
As2B Mo3 Mo4 53.19(9) . . ?
As2B Mo3 Sb2B 54.36(10) . . ?
Sb2A Mo4 Mo3 54.68(3) . . ?
As2A Mo4 Mo3 54.09(8) . . ?
As2A Mo4 Sb2A 55.71(6) . . ?
C22 Mo4 Mo3 128.05(14) . . ?
C22 Mo4 Sb2A 74.31(15) . . ?
C22 Mo4 As2A 91.06(17) . . ?
C22 Mo4 C25 142.8(2) . . ?
C22 Mo4 C26 116.4(2) . . ?
C22 Mo4 C24 120.76(19) . . ?
C22 Mo4 C27 85.7(2) . . ?
C22 Mo4 C28 87.7(2) . . ?
C22 Mo4 Sb2B 92.31(17) . . ?
C22 Mo4 As2B 75.80(17) . . ?
C25 Mo4 Mo3 87.30(12) . . ?
C25 Mo4 Sb2A 141.98(12) . . ?
C25 Mo4 As2A 104.45(15) . . ?
C25 Mo4 Sb2B 98.59(16) . . ?
C25 Mo4 As2B 138.73(15) . . ?
C23 Mo4 Mo3 85.50(15) . . ?
C23 Mo4 Sb2A 71.04(15) . . ?
C23 Mo4 As2A 124.96(15) . . ?
C23 Mo4 C22 87.0(2) . . ?
C23 Mo4 C25 109.6(2) . . ?
C23 Mo4 C26 142.7(2) . . ?
C23 Mo4 C24 84.6(2) . . ?
C23 Mo4 C27 131.7(3) . . ?
C23 Mo4 C28 95.9(3) . . ?
C23 Mo4 Sb2B 133.45(16) . . ?
C23 Mo4 As2B 78.73(18) . . ?
C26 Mo4 Mo3 99.54(15) . . ?
C26 Mo4 Sb2A 140.69(16) . . ?
C26 Mo4 As2A 85.47(17) . . ?
C26 Mo4 C25 34.9(2) . . ?
C26 Mo4 Sb2B 77.35(18) . . ?
C26 Mo4 As2B 133.00(19) . . ?
C24 Mo4 Mo3 109.54(14) . . ?
C24 Mo4 Sb2A 151.12(17) . . ?
C24 Mo4 As2A 139.21(17) . . ?
C24 Mo4 C25 34.8(2) . . ?
C24 Mo4 C26 58.7(2) . . ?
C24 Mo4 Sb2B 132.86(18) . . ?
C24 Mo4 As2B 155.95(19) . . ?
C27 Mo4 Mo3 134.12(18) . . ?
C27 Mo4 Sb2A 149.40(18) . . ?
C27 Mo4 As2A 102.8(2) . . ?
C27 Mo4 C25 58.2(2) . . ?
C27 Mo4 C26 35.0(2) . . ?
C27 Mo4 C24 59.5(2) . . ?
C27 Mo4 Sb2B 94.5(2) . . ?
C27 Mo4 As2B 143.8(2) . . ?
C28 Mo4 Mo3 144.23(15) . . ?
C28 Mo4 Sb2A 157.98(16) . . ?
C28 Mo4 As2A 139.0(2) . . ?
C28 Mo4 C25 58.47(19) . . ?
C28 Mo4 C26 59.1(2) . . ?
C28 Mo4 C24 35.7(2) . . ?
C28 Mo4 C27 36.2(3) . . ?
C28 Mo4 Sb2B 130.6(2) . . ?
C28 Mo4 As2B 162.80(17) . . ?
Sb2B Mo4 Mo3 59.04(9) . . ?
As2B Mo4 Mo3 52.31(10) . . ?
As2B Mo4 Sb2B 56.23(10) . . ?
Mo2 Sb1A Mo1 67.22(5) . . ?
As1A Sb1A Mo1 56.73(16) . . ?
As1A Sb1A Mo2 60.25(16) . . ?
As1A Sb1A Cu1 57.22(16) . . ?
Cu1 Sb1A Mo1 102.63(6) . . ?
Cu1 Sb1A Mo2 107.81(8) . . ?
Mo3 Sb2A Mo4 66.91(3) . . ?
As2A Sb2A Mo3 59.03(10) . . ?
As2A Sb2A Mo4 55.88(9) . . ?
As2A Sb2A Cu1 56.50(10) . . ?
Cu1 Sb2A Mo3 106.90(6) . . ?
Cu1 Sb2A Mo4 100.22(5) . . ?
Mo1 As1A Mo2 72.44(15) . . ?
Sb1A As1A Mo1 67.49(12) . . ?
Sb1A As1A Mo2 63.50(12) . . ?
Cu1 As1A Mo1 115.8(2) . . ?
Cu1 As1A Mo2 115.6(2) . . ?
Cu1 As1A Sb1A 63.52(15) . . ?
Mo4 As2A Mo3 73.63(9) . . ?
Sb2A As2A Mo3 64.29(7) . . ?
Sb2A As2A Mo4 68.42(8) . . ?
Cu1 As2A Mo3 117.70(11) . . ?
Cu1 As2A Mo4 115.60(13) . . ?
Cu1 As2A Sb2A 64.33(8) . . ?
Sb1A Cu1 Sb2A 129.75(7) . . ?
As1A Cu1 Sb1A 59.27(10) . . ?
As1A Cu1 Sb2A 110.98(16) . . ?
As2A Cu1 Sb1A 104.99(10) . . ?
As2A Cu1 Sb2A 59.17(6) . . ?
As2A Cu1 As1A 152.11(19) . . ?
N1 Cu1 Sb1A 115.08(14) . . ?
N1 Cu1 Sb2A 115.14(14) . . ?
N1 Cu1 As1A 102.0(2) . . ?
N1 Cu1 As2A 105.68(16) . . ?
N1 Cu1 As1B 114.9(3) . . ?
N1 Cu1 Sb1B 100.8(3) . . ?
N1 Cu1 Sb2B 101.18(16) . . ?
N1 Cu1 As2B 114.06(16) . . ?
As1B Cu1 Sb1B 57.3(2) . . ?
As1B Cu1 Sb2B 107.89(19) . . ?
Sb1B Cu1 Sb2B 157.4(2) . . ?
As2B Cu1 As1B 130.9(3) . . ?
As2B Cu1 Sb1B 116.2(2) . . ?
As2B Cu1 Sb2B 58.22(9) . . ?
F1 Al1 O10 110.11(14) . . ?
F1 Al1 O9 108.31(14) . . ?
F1 Al1 O11 108.78(15) . . ?
O10 Al1 O9 109.38(16) . . ?
O10 Al1 O11 109.59(15) . . ?
O11 Al1 O9 110.65(15) . . ?
C43 O10 Al1 137.5(3) . . ?
C31 O9 Al1 137.3(3) . . ?
C55 O11 Al1 135.8(3) . . ?
C29 N1 Cu1 171.3(4) . . ?
F12 C38 C37 121.8(4) . . ?
F12 C38 C39 115.3(4) . . ?
C39 C38 C37 122.9(4) . . ?
O6 C16 Mo3 172.7(4) . . ?
O9 C31 C36 108.9(3) . . ?
O9 C31 C32 106.4(3) . . ?
O9 C31 C37 111.6(3) . . ?
C36 C31 C32 105.6(3) . . ?
C37 C31 C36 109.0(3) . . ?
C37 C31 C32 115.1(3) . . ?
F38 C59 C60 108.7(4) . . ?
F38 C59 C58 107.7(4) . . ?
F39 C59 F38 107.7(4) . . ?
F39 C59 C60 109.1(4) . . ?
F39 C59 C58 109.0(4) . . ?
C58 C59 C60 114.4(4) . . ?
F41 C60 F40 107.4(4) . . ?
F41 C60 C59 105.5(4) . . ?
F41 C60 C55 112.3(4) . . ?
F40 C60 C59 107.2(4) . . ?
F40 C60 C55 109.8(4) . . ?
C59 C60 C55 114.2(4) . . ?
F10 C36 C31 109.1(4) . . ?
F10 C36 C35 106.9(4) . . ?
F11 C36 F10 107.1(3) . . ?
F11 C36 C31 112.8(4) . . ?
F11 C36 C35 106.1(4) . . ?
C35 C36 C31 114.5(3) . . ?
O7 C22 Mo4 176.0(4) . . ?
O4 C9 Mo2 173.7(4) . . ?
F23 C47 F24 107.3(4) . . ?
F23 C47 C48 109.4(4) . . ?
F23 C47 C46 109.1(4) . . ?
F24 C47 C48 107.5(4) . . ?
F24 C47 C46 108.3(4) . . ?
C46 C47 C48 115.1(4) . . ?
O11 C55 C60 108.7(4) . . ?
O11 C55 C56 107.1(4) . . ?
O11 C55 C61 111.1(3) . . ?
C56 C55 C60 106.0(3) . . ?
C56 C55 C61 114.7(4) . . ?
C61 C55 C60 109.0(4) . . ?
O3 C8 Mo2 176.1(5) . . ?
F3 C32 F2 108.4(4) . . ?
F3 C32 C31 109.7(3) . . ?
F3 C32 C33 107.6(4) . . ?
F2 C32 C31 113.6(3) . . ?
F2 C32 C33 103.9(4) . . ?
C33 C32 C31 113.2(4) . . ?
F17 C44 C45 103.6(4) . . ?
F17 C44 C43 113.5(4) . . ?
F18 C44 F17 108.1(3) . . ?
F18 C44 C45 107.7(4) . . ?
F18 C44 C43 110.2(4) . . ?
C43 C44 C45 113.3(4) . . ?
C38 C37 C31 118.0(4) . . ?
C42 C37 C38 114.2(4) . . ?
C42 C37 C31 127.4(4) . . ?
F8 C35 F9 107.7(4) . . ?
F8 C35 C36 109.8(4) . . ?
F8 C35 C34 109.1(4) . . ?
F9 C35 C36 108.4(3) . . ?
F9 C35 C34 108.1(4) . . ?
C34 C35 C36 113.5(4) . . ?
F19 C45 F20 107.9(4) . . ?
F19 C45 C44 112.1(4) . . ?
F19 C45 C46 109.4(4) . . ?
F20 C45 C44 107.7(4) . . ?
F20 C45 C46 108.7(4) . . ?
C46 C45 C44 110.9(4) . . ?
F26 C48 F25 108.3(4) . . ?
F26 C48 C47 105.9(4) . . ?
F26 C48 C43 111.8(4) . . ?
F25 C48 C47 107.3(4) . . ?
F25 C48 C43 109.8(4) . . ?
C47 C48 C43 113.5(4) . . ?
F13 C39 C38 119.4(4) . . ?
F13 C39 C40 119.9(4) . . ?
C40 C39 C38 120.7(5) . . ?
F33 C56 F32 108.6(4) . . ?
F33 C56 C55 110.2(3) . . ?
F33 C56 C57 107.1(4) . . ?
F32 C56 C55 112.4(4) . . ?
F32 C56 C57 104.0(4) . . ?
C55 C56 C57 114.1(4) . . ?
F31 C54 C49 122.1(4) . . ?
F31 C54 C53 114.7(5) . . ?
C53 C54 C49 123.3(5) . . ?
O5 C15 Mo3 176.0(6) . . ?
F46 C66 C61 121.7(4) . . ?
F46 C66 C65 114.3(4) . . ?
C65 C66 C61 123.9(4) . . ?
F36 C58 F37 107.4(4) . . ?
F36 C58 C59 108.6(5) . . ?
F36 C58 C57 109.8(4) . . ?
F37 C58 C59 108.9(4) . . ?
F37 C58 C57 109.0(5) . . ?
C59 C58 C57 113.0(4) . . ?
F21 C46 C47 108.8(4) . . ?
F21 C46 C45 108.7(4) . . ?
F22 C46 F21 107.9(4) . . ?
F22 C46 C47 109.2(4) . . ?
F22 C46 C45 109.2(4) . . ?
C47 C46 C45 113.0(4) . . ?
F16 C42 C37 122.5(4) . . ?
F16 C42 C41 114.4(4) . . ?
C41 C42 C37 123.1(5) . . ?
O1 C1 Mo1 174.6(5) . . ?
O10 C43 C44 106.7(3) . . ?
O10 C43 C48 108.9(3) . . ?
O10 C43 C49 111.4(4) . . ?
C44 C43 C48 106.4(4) . . ?
C49 C43 C44 115.1(4) . . ?
C49 C43 C48 108.0(4) . . ?
F15 C41 C42 119.1(5) . . ?
F15 C41 C40 119.7(4) . . ?
C40 C41 C42 121.1(4) . . ?
N1 C29 C30 178.4(6) . . ?
C54 C49 C43 118.1(4) . . ?
C54 C49 C50 114.5(4) . . ?
C50 C49 C43 127.2(5) . . ?
F34 C57 F35 108.2(4) . . ?
F34 C57 C56 112.2(4) . . ?
F34 C57 C58 108.7(4) . . ?
F35 C57 C56 107.3(4) . . ?
F35 C57 C58 109.3(4) . . ?
C58 C57 C56 111.0(4) . . ?
Mo4 C25 H25 123.0 . . ?
C26 C25 Mo4 72.5(3) . . ?
C26 C25 H25 125.5 . . ?
C24 C25 Mo4 70.6(3) . . ?
C24 C25 H25 125.5 . . ?
C24 C25 C26 108.9(5) . . ?
F4 C33 F5 107.4(4) . . ?
F4 C33 C32 112.1(4) . . ?
F4 C33 C34 109.0(4) . . ?
F5 C33 C32 107.7(4) . . ?
F5 C33 C34 107.8(4) . . ?
C34 C33 C32 112.5(4) . . ?
C66 C61 C55 118.4(4) . . ?
C62 C61 C55 127.4(4) . . ?
C62 C61 C66 113.6(4) . . ?
F45 C65 C66 120.2(5) . . ?
F45 C65 C64 119.8(5) . . ?
C66 C65 C64 120.0(5) . . ?
F14 C40 C39 120.8(5) . . ?
F14 C40 C41 121.1(5) . . ?
C41 C40 C39 118.0(4) . . ?
O2 C2 Mo1 172.9(5) . . ?
O8 C23 Mo4 175.1(5) . . ?
Mo4 C26 H26 122.2 . . ?
C25 C26 Mo4 72.7(3) . . ?
C25 C26 H26 126.2 . . ?
C27 C26 Mo4 70.6(4) . . ?
C27 C26 C25 107.5(6) . . ?
C27 C26 H26 126.2 . . ?
Mo1 C7 H7 122.6 . . ?
C6 C7 Mo1 72.9(3) . . ?
C6 C7 H7 126.3 . . ?
C3 C7 Mo1 70.0(3) . . ?
C3 C7 H7 126.3 . . ?
C3 C7 C6 107.5(6) . . ?
F28 C51 C50 119.6(6) . . ?
F28 C51 C52 119.4(5) . . ?
C52 C51 C50 121.0(5) . . ?
Mo3 C21 H21 119.2 . . ?
C17 C21 Mo3 72.0(3) . . ?
C17 C21 H21 125.9 . . ?
C20 C21 Mo3 74.7(4) . . ?
C20 C21 H21 125.9 . . ?
C20 C21 C17 108.2(5) . . ?
Mo3 C17 H17 119.8 . . ?
C21 C17 Mo3 71.9(3) . . ?
C21 C17 H17 126.3 . . ?
C21 C17 C18 107.5(5) . . ?
C18 C17 Mo3 73.9(3) . . ?
C18 C17 H17 126.3 . . ?
F30 C53 C54 119.6(5) . . ?
F30 C53 C52 120.1(5) . . ?
C52 C53 C54 120.3(6) . . ?
Mo4 C24 H24 120.0 . . ?
C25 C24 Mo4 74.5(3) . . ?
C25 C24 H24 126.1 . . ?
C25 C24 C28 107.9(6) . . ?
C28 C24 Mo4 71.2(3) . . ?
C28 C24 H24 126.1 . . ?
F6 C34 C35 108.4(4) . . ?
F6 C34 C33 108.9(4) . . ?
F7 C34 F6 107.9(4) . . ?
F7 C34 C35 109.8(4) . . ?
F7 C34 C33 109.6(4) . . ?
C35 C34 C33 112.2(4) . . ?
F27 C50 C49 122.9(5) . . ?
F27 C50 C51 114.8(5) . . ?
C51 C50 C49 122.3(6) . . ?
Mo4 C27 H27 120.3 . . ?
C26 C27 Mo4 74.4(3) . . ?
C26 C27 H27 126.0 . . ?
C26 C27 C28 108.1(6) . . ?
C28 C27 Mo4 71.1(3) . . ?
C28 C27 H27 126.0 . . ?
Mo2 C13 H13 122.1 . . ?
C14 C13 Mo2 70.3(3) . . ?
C14 C13 H13 125.9 . . ?
C14 C13 C12 108.2(6) . . ?
C12 C13 Mo2 73.3(3) . . ?
C12 C13 H13 125.9 . . ?
F42 C62 C61 123.0(4) . . ?
F42 C62 C63 113.9(4) . . ?
C63 C62 C61 123.1(5) . . ?
F43 C63 C62 119.6(5) . . ?
F43 C63 C64 119.7(5) . . ?
C64 C63 C62 120.7(5) . . ?
Mo2 C14 H14 119.5 . . ?
C13 C14 Mo2 74.5(4) . . ?
C13 C14 H14 125.3 . . ?
C10 C14 Mo2 72.4(3) . . ?
C10 C14 C13 109.3(7) . . ?
C10 C14 H14 125.3 . . ?
Mo1 C6 H6 123.0 . . ?
C7 C6 Mo1 72.0(3) . . ?
C7 C6 H6 126.2 . . ?
C5 C6 Mo1 70.5(3) . . ?
C5 C6 C7 107.6(5) . . ?
C5 C6 H6 126.2 . . ?
Mo1 C3 H3 119.8 . . ?
C7 C3 Mo1 74.7(3) . . ?
C7 C3 H3 125.7 . . ?
C7 C3 C4 108.7(5) . . ?
C4 C3 Mo1 71.6(3) . . ?
C4 C3 H3 125.7 . . ?
F29 C52 C51 120.1(6) . . ?
F29 C52 C53 121.3(6) . . ?
C53 C52 C51 118.6(5) . . ?
Mo1 C5 H5 120.5 . . ?
C6 C5 Mo1 74.6(3) . . ?
C6 C5 H5 125.6 . . ?
C6 C5 C4 108.9(6) . . ?
C4 C5 Mo1 71.0(3) . . ?
C4 C5 H5 125.6 . . ?
Mo4 C28 H28 119.9 . . ?
C24 C28 Mo4 73.0(3) . . ?
C24 C28 C27 107.6(5) . . ?
C24 C28 H28 126.2 . . ?
C27 C28 Mo4 72.7(3) . . ?
C27 C28 H28 126.2 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Mo3 C20 H20 122.0 . . ?
C21 C20 Mo3 69.9(4) . . ?
C21 C20 H20 125.9 . . ?
C21 C20 C19 108.1(5) . . ?
C19 C20 Mo3 73.8(3) . . ?
C19 C20 H20 125.9 . . ?
Mo2 C12 H12 122.6 . . ?
C13 C12 Mo2 71.9(4) . . ?
C13 C12 H12 127.3 . . ?
C13 C12 C11 105.4(7) . . ?
C11 C12 Mo2 70.0(3) . . ?
C11 C12 H12 127.3 . . ?
Mo2 C10 H10 119.7 . . ?
C14 C10 Mo2 72.9(3) . . ?
C14 C10 H10 126.1 . . ?
C14 C10 C11 107.8(7) . . ?
C11 C10 Mo2 73.2(3) . . ?
C11 C10 H10 126.1 . . ?
Mo1 C4 H4 119.8 . . ?
C3 C4 Mo1 72.5(3) . . ?
C3 C4 H4 126.3 . . ?
C5 C4 Mo1 73.3(3) . . ?
C5 C4 C3 107.4(6) . . ?
C5 C4 H4 126.3 . . ?
F44 C64 C65 120.6(5) . . ?
F44 C64 C63 120.7(5) . . ?
C63 C64 C65 118.7(5) . . ?
Mo2 C11 H11 120.2 . . ?
C12 C11 Mo2 74.5(3) . . ?
C12 C11 H11 125.4 . . ?
C10 C11 Mo2 71.6(3) . . ?
C10 C11 C12 109.3(6) . . ?
C10 C11 H11 125.4 . . ?
Mo3 C18 H18 121.1 . . ?
C17 C18 Mo3 70.3(3) . . ?
C17 C18 H18 125.8 . . ?
C19 C18 Mo3 74.5(3) . . ?
C19 C18 C17 108.3(5) . . ?
C19 C18 H18 125.8 . . ?
Mo3 C19 H19 123.5 . . ?
C20 C19 Mo3 71.3(4) . . ?
C20 C19 H19 126.1 . . ?
C18 C19 Mo3 70.8(3) . . ?
C18 C19 C20 107.9(5) . . ?
C18 C19 H19 126.1 . . ?
Mo2 As1B Mo1 73.7(2) . . ?
Mo2 As1B Cu1 118.2(3) . . ?
Cu1 As1B Mo1 112.1(3) . . ?
Sb1B As1B Mo1 64.7(3) . . ?
Sb1B As1B Mo2 67.6(3) . . ?
Sb1B As1B Cu1 62.4(3) . . ?
Mo1 Sb1B Mo2 68.27(19) . . ?
Cu1 Sb1B Mo1 107.2(3) . . ?
Cu1 Sb1B Mo2 108.0(3) . . ?
As1B Sb1B Mo1 60.4(3) . . ?
As1B Sb1B Mo2 57.2(3) . . ?
As1B Sb1B Cu1 60.3(3) . . ?
Mo4 Sb2B Mo3 66.98(9) . . ?
Cu1 Sb2B Mo3 103.78(12) . . ?
Cu1 Sb2B Mo4 104.83(13) . . ?
As2B Sb2B Mo3 55.82(13) . . ?
As2B Sb2B Mo4 58.88(13) . . ?
As2B Sb2B Cu1 57.56(12) . . ?
Mo3 As2B Mo4 74.50(11) . . ?
Cu1 As2B Mo3 120.22(16) . . ?
Cu1 As2B Mo4 114.66(16) . . ?
Cu1 As2B Sb2B 64.23(14) . . ?
Sb2B As2B Mo3 69.81(14) . . ?
Sb2B As2B Mo4 64.89(13) . . ?
Cl1A C67A H67A 107.2 . . ?
Cl1A C67A H67B 107.2 . . ?
Cl2A C67A Cl1A 120.5(9) . . ?
Cl2A C67A H67A 107.2 . . ?
Cl2A C67A H67B 107.2 . . ?
H67A C67A H67B 106.8 . . ?
Cl2B C67B Cl1B 114.1(17) . . ?
Cl2B C67B H67C 108.7 . . ?
Cl2B C67B H67D 108.7 . . ?
Cl1B C67B H67C 108.7 . . ?
Cl1B C67B H67D 108.7 . . ?
H67C C67B H67D 107.6 . . ?

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 C7 C6 C5 61.8(4) . . . . ?
Mo1 C7 C3 C4 -64.1(4) . . . . ?
Mo1 C6 C5 C4 63.2(4) . . . . ?
Mo1 C3 C4 C5 -65.5(4) . . . . ?
Mo1 C5 C4 C3 65.0(4) . . . . ?
Mo2 C13 C14 C10 -64.5(4) . . . . ?
Mo2 C13 C12 C11 62.3(4) . . . . ?
Mo2 C14 C10 C11 -65.4(4) . . . . ?
Mo2 C12 C11 C10 63.7(4) . . . . ?
Mo2 C10 C11 C12 -65.5(4) . . . . ?
Mo3 C21 C17 C18 -65.9(4) . . . . ?
Mo3 C21 C20 C19 64.4(4) . . . . ?
Mo3 C17 C18 C19 -65.3(4) . . . . ?
Mo3 C20 C19 C18 61.7(4) . . . . ?
Mo3 C18 C19 C20 -62.0(4) . . . . ?
Mo4 C25 C26 C27 -62.4(4) . . . . ?
Mo4 C25 C24 C28 63.9(4) . . . . ?
Mo4 C26 C27 C28 -63.6(4) . . . . ?
Mo4 C24 C28 C27 65.0(4) . . . . ?
Mo4 C27 C28 C24 -65.2(4) . . . . ?
Al1 O10 C43 C44 -89.9(5) . . . . ?
Al1 O10 C43 C48 155.6(3) . . . . ?
Al1 O10 C43 C49 36.5(6) . . . . ?
Al1 O9 C31 C36 154.2(3) . . . . ?
Al1 O9 C31 C32 -92.4(4) . . . . ?
Al1 O9 C31 C37 33.8(5) . . . . ?
Al1 O11 C55 C60 156.2(3) . . . . ?
Al1 O11 C55 C56 -89.6(4) . . . . ?
Al1 O11 C55 C61 36.3(6) . . . . ?
F8 C35 C34 F6 -163.8(4) . . . . ?
F8 C35 C34 F7 -46.1(5) . . . . ?
F8 C35 C34 C33 75.9(5) . . . . ?
F17 C44 C45 F19 -172.6(4) . . . . ?
F17 C44 C45 F20 -54.0(5) . . . . ?
F17 C44 C45 C46 64.9(5) . . . . ?
F17 C44 C43 O10 -174.5(3) . . . . ?
F17 C44 C43 C48 -58.3(4) . . . . ?
F17 C44 C43 C49 61.4(5) . . . . ?
F1 Al1 O10 C43 -40.9(5) . . . . ?
F1 Al1 O9 C31 -37.9(4) . . . . ?
F1 Al1 O11 C55 -37.5(4) . . . . ?
F12 C38 C37 C31 3.8(6) . . . . ?
F12 C38 C37 C42 177.2(4) . . . . ?
F12 C38 C39 F13 -0.2(6) . . . . ?
F12 C38 C39 C40 -177.6(4) . . . . ?
F19 C45 C46 F21 164.0(4) . . . . ?
F19 C45 C46 F22 46.6(5) . . . . ?
F19 C45 C46 C47 -75.1(5) . . . . ?
F38 C59 C60 F41 53.8(5) . . . . ?
F38 C59 C60 F40 168.0(4) . . . . ?
F38 C59 C60 C55 -70.1(5) . . . . ?
F38 C59 C58 F36 -163.4(4) . . . . ?
F38 C59 C58 F37 -46.8(5) . . . . ?
F38 C59 C58 C57 74.5(5) . . . . ?
F46 C66 C61 C55 3.6(7) . . . . ?
F46 C66 C61 C62 175.6(5) . . . . ?
F46 C66 C65 F45 2.9(7) . . . . ?
F46 C66 C65 C64 -175.2(5) . . . . ?
F23 C47 C48 F26 49.0(5) . . . . ?
F23 C47 C48 F25 164.5(4) . . . . ?
F23 C47 C48 C43 -74.0(5) . . . . ?
F23 C47 C46 F21 -161.4(3) . . . . ?
F23 C47 C46 F22 -43.9(5) . . . . ?
F23 C47 C46 C45 77.8(4) . . . . ?
F26 C48 C43 O10 -58.8(5) . . . . ?
F26 C48 C43 C44 -173.5(3) . . . . ?
F26 C48 C43 C49 62.4(5) . . . . ?
F33 C56 C57 F34 -58.0(5) . . . . ?
F33 C56 C57 F35 60.8(5) . . . . ?
F33 C56 C57 C58 -179.9(4) . . . . ?
F18 C44 C45 F19 -58.2(5) . . . . ?
F18 C44 C45 F20 60.4(5) . . . . ?
F18 C44 C45 C46 179.3(4) . . . . ?
F18 C44 C43 O10 64.1(4) . . . . ?
F18 C44 C43 C48 -179.7(3) . . . . ?
F18 C44 C43 C49 -60.0(5) . . . . ?
F10 C36 C35 F8 169.1(3) . . . . ?
F10 C36 C35 F9 51.7(5) . . . . ?
F10 C36 C35 C34 -68.5(5) . . . . ?
F3 C32 C33 F4 -55.4(5) . . . . ?
F3 C32 C33 F5 62.6(5) . . . . ?
F3 C32 C33 C34 -178.7(4) . . . . ?
F41 C60 C55 O11 -58.9(5) . . . . ?
F41 C60 C55 C56 -173.8(4) . . . . ?
F41 C60 C55 C61 62.3(5) . . . . ?
F31 C54 C49 C43 3.5(6) . . . . ?
F31 C54 C49 C50 179.3(4) . . . . ?
F31 C54 C53 F30 -2.2(7) . . . . ?
F31 C54 C53 C52 179.6(4) . . . . ?
F16 C42 C41 F15 0.5(6) . . . . ?
F16 C42 C41 C40 178.7(4) . . . . ?
F9 C35 C34 F6 -47.0(5) . . . . ?
F9 C35 C34 F7 70.7(5) . . . . ?
F9 C35 C34 C33 -167.2(4) . . . . ?
F25 C48 C43 O10 -179.0(4) . . . . ?
F25 C48 C43 C44 66.3(4) . . . . ?
F25 C48 C43 C49 -57.8(5) . . . . ?
F2 C32 C33 F4 -170.2(4) . . . . ?
F2 C32 C33 F5 -52.2(5) . . . . ?
F2 C32 C33 C34 66.4(5) . . . . ?
F11 C36 C35 F8 55.0(4) . . . . ?
F11 C36 C35 F9 -62.4(4) . . . . ?
F11 C36 C35 C34 177.4(4) . . . . ?
F20 C45 C46 F21 46.4(5) . . . . ?
F20 C45 C46 F22 -71.0(5) . . . . ?
F20 C45 C46 C47 167.3(4) . . . . ?
F4 C33 C34 F6 164.4(4) . . . . ?
F4 C33 C34 F7 46.5(5) . . . . ?
F4 C33 C34 C35 -75.7(5) . . . . ?
F24 C47 C48 F26 -67.1(5) . . . . ?
F24 C47 C48 F25 48.4(5) . . . . ?
F24 C47 C48 C43 169.9(4) . . . . ?
F24 C47 C46 F21 -45.0(5) . . . . ?
F24 C47 C46 F22 72.5(5) . . . . ?
F24 C47 C46 C45 -165.8(4) . . . . ?
F15 C41 C40 F14 -0.7(7) . . . . ?
F15 C41 C40 C39 178.5(4) . . . . ?
O10 Al1 O9 C31 -157.9(4) . . . . ?
O10 Al1 O11 C55 83.0(4) . . . . ?
O10 C43 C49 C54 44.3(5) . . . . ?
O10 C43 C49 C50 -130.8(5) . . . . ?
F32 C56 C57 F34 -172.9(4) . . . . ?
F32 C56 C57 F35 -54.1(5) . . . . ?
F32 C56 C57 C58 65.2(5) . . . . ?
O9 Al1 O10 C43 78.1(4) . . . . ?
O9 Al1 O11 C55 -156.3(4) . . . . ?
O9 C31 C36 F10 178.2(3) . . . . ?
O9 C31 C36 F11 -63.0(4) . . . . ?
O9 C31 C36 C35 58.5(5) . . . . ?
O9 C31 C32 F3 62.4(4) . . . . ?
O9 C31 C32 F2 -176.1(3) . . . . ?
O9 C31 C32 C33 -57.9(5) . . . . ?
O9 C31 C37 C38 47.0(5) . . . . ?
O9 C31 C37 C42 -125.4(4) . . . . ?
F13 C39 C40 F14 1.6(7) . . . . ?
F13 C39 C40 C41 -177.5(4) . . . . ?
F45 C65 C64 F44 -1.3(10) . . . . ?
F45 C65 C64 C63 -179.0(6) . . . . ?
F36 C58 C57 F34 163.7(4) . . . . ?
F36 C58 C57 F35 45.8(6) . . . . ?
F36 C58 C57 C56 -72.4(5) . . . . ?
F42 C62 C63 F43 0.7(10) . . . . ?
F42 C62 C63 C64 179.5(6) . . . . ?
F37 C58 C57 F34 46.3(5) . . . . ?
F37 C58 C57 F35 -71.6(5) . . . . ?
F37 C58 C57 C56 170.3(4) . . . . ?
F40 C60 C55 O11 -178.4(4) . . . . ?
F40 C60 C55 C56 66.7(5) . . . . ?
F40 C60 C55 C61 -57.2(5) . . . . ?
F39 C59 C60 F41 -63.4(5) . . . . ?
F39 C59 C60 F40 50.9(5) . . . . ?
F39 C59 C60 C55 172.8(4) . . . . ?
F39 C59 C58 F36 -46.9(5) . . . . ?
F39 C59 C58 F37 69.8(5) . . . . ?
F39 C59 C58 C57 -168.9(4) . . . . ?
O11 Al1 O10 C43 -160.5(4) . . . . ?
O11 Al1 O9 C31 81.3(4) . . . . ?
O11 C55 C56 F33 62.7(5) . . . . ?
O11 C55 C56 F32 -176.0(3) . . . . ?
O11 C55 C56 C57 -57.8(5) . . . . ?
O11 C55 C61 C66 47.4(6) . . . . ?
O11 C55 C61 C62 -123.4(5) . . . . ?
F5 C33 C34 F6 48.0(5) . . . . ?
F5 C33 C34 F7 -69.8(5) . . . . ?
F5 C33 C34 C35 168.0(4) . . . . ?
F30 C53 C52 F29 2.4(8) . . . . ?
F30 C53 C52 C51 -177.3(5) . . . . ?
F28 C51 C50 F27 -1.8(7) . . . . ?
F28 C51 C50 C49 -179.8(5) . . . . ?
F28 C51 C52 F29 -1.0(8) . . . . ?
F28 C51 C52 C53 178.7(5) . . . . ?
F43 C63 C64 F44 1.1(11) . . . . ?
F43 C63 C64 C65 178.7(7) . . . . ?
C38 C37 C42 F16 -178.6(4) . . . . ?
C38 C37 C42 C41 0.6(6) . . . . ?
C38 C39 C40 F14 179.1(4) . . . . ?
C38 C39 C40 C41 -0.1(7) . . . . ?
C31 C36 C35 F8 -70.0(5) . . . . ?
C31 C36 C35 F9 172.6(4) . . . . ?
C31 C36 C35 C34 52.4(5) . . . . ?
C31 C32 C33 F4 66.1(5) . . . . ?
C31 C32 C33 F5 -176.0(4) . . . . ?
C31 C32 C33 C34 -57.3(5) . . . . ?
C31 C37 C42 F16 -5.9(7) . . . . ?
C31 C37 C42 C41 173.3(4) . . . . ?
C59 C60 C55 O11 61.2(5) . . . . ?
C59 C60 C55 C56 -53.7(5) . . . . ?
C59 C60 C55 C61 -177.6(4) . . . . ?
C59 C58 C57 F34 -74.9(5) . . . . ?
C59 C58 C57 F35 167.2(4) . . . . ?
C59 C58 C57 C56 49.0(6) . . . . ?
C60 C59 C58 F36 75.6(5) . . . . ?
C60 C59 C58 F37 -167.8(4) . . . . ?
C60 C59 C58 C57 -46.5(6) . . . . ?
C60 C55 C56 F33 178.6(4) . . . . ?
C60 C55 C56 F32 -60.0(5) . . . . ?
C60 C55 C56 C57 58.1(5) . . . . ?
C60 C55 C61 C66 -72.4(5) . . . . ?
C60 C55 C61 C62 116.8(6) . . . . ?
C36 C31 C32 F3 178.0(3) . . . . ?
C36 C31 C32 F2 -60.5(4) . . . . ?
C36 C31 C32 C33 57.7(4) . . . . ?
C36 C31 C37 C38 -73.2(5) . . . . ?
C36 C31 C37 C42 114.3(5) . . . . ?
C36 C35 C34 F6 73.4(5) . . . . ?
C36 C35 C34 F7 -169.0(4) . . . . ?
C36 C35 C34 C33 -46.9(5) . . . . ?
C47 C48 C43 O10 60.9(5) . . . . ?
C47 C48 C43 C44 -53.8(5) . . . . ?
C47 C48 C43 C49 -177.9(4) . . . . ?
C55 C56 C57 F34 64.3(5) . . . . ?
C55 C56 C57 F35 -177.0(4) . . . . ?
C55 C56 C57 C58 -57.6(5) . . . . ?
C55 C61 C62 F42 -7.8(9) . . . . ?
C55 C61 C62 C63 170.8(6) . . . . ?
C32 C31 C36 F10 64.3(4) . . . . ?
C32 C31 C36 F11 -176.9(3) . . . . ?
C32 C31 C36 C35 -55.4(5) . . . . ?
C32 C31 C37 C38 168.3(4) . . . . ?
C32 C31 C37 C42 -4.1(6) . . . . ?
C32 C33 C34 F6 -70.6(5) . . . . ?
C32 C33 C34 F7 171.5(4) . . . . ?
C32 C33 C34 C35 49.3(5) . . . . ?
C44 C45 C46 F21 -71.9(5) . . . . ?
C44 C45 C46 F22 170.7(4) . . . . ?
C44 C45 C46 C47 49.0(5) . . . . ?
C44 C43 C49 C54 166.0(4) . . . . ?
C44 C43 C49 C50 -9.2(7) . . . . ?
C37 C38 C39 F13 177.6(4) . . . . ?
C37 C38 C39 C40 0.2(7) . . . . ?
C37 C31 C36 F10 -59.9(4) . . . . ?
C37 C31 C36 F11 59.0(4) . . . . ?
C37 C31 C36 C35 -179.6(4) . . . . ?
C37 C31 C32 F3 -61.7(4) . . . . ?
C37 C31 C32 F2 59.8(5) . . . . ?
C37 C31 C32 C33 178.0(4) . . . . ?
C37 C42 C41 F15 -178.7(4) . . . . ?
C37 C42 C41 C40 -0.6(7) . . . . ?
C45 C44 C43 O10 -56.6(4) . . . . ?
C45 C44 C43 C48 59.6(4) . . . . ?
C45 C44 C43 C49 179.2(4) . . . . ?
C48 C47 C46 F21 75.3(5) . . . . ?
C48 C47 C46 F22 -167.2(4) . . . . ?
C48 C47 C46 C45 -45.5(5) . . . . ?
C48 C43 C49 C54 -75.3(5) . . . . ?
C48 C43 C49 C50 109.6(5) . . . . ?
C39 C38 C37 C31 -173.8(4) . . . . ?
C39 C38 C37 C42 -0.4(6) . . . . ?
C56 C55 C61 C66 169.1(4) . . . . ?
C56 C55 C61 C62 -1.7(7) . . . . ?
C54 C49 C50 F27 -176.7(4) . . . . ?
C54 C49 C50 C51 1.2(7) . . . . ?
C54 C53 C52 F29 -179.4(5) . . . . ?
C54 C53 C52 C51 0.9(8) . . . . ?
C66 C61 C62 F42 -179.0(5) . . . . ?
C66 C61 C62 C63 -0.4(8) . . . . ?
C66 C65 C64 F44 176.7(6) . . . . ?
C66 C65 C64 C63 -0.9(10) . . . . ?
C58 C59 C60 F41 174.2(4) . . . . ?
C58 C59 C60 F40 -71.5(5) . . . . ?
C58 C59 C60 C55 50.4(5) . . . . ?
C46 C47 C48 F26 172.2(4) . . . . ?
C46 C47 C48 F25 -72.3(5) . . . . ?
C46 C47 C48 C43 49.2(6) . . . . ?
C42 C41 C40 F14 -178.8(4) . . . . ?
C42 C41 C40 C39 0.3(7) . . . . ?
C43 C44 C45 F19 64.0(5) . . . . ?
C43 C44 C45 F20 -177.5(4) . . . . ?
C43 C44 C45 C46 -58.6(5) . . . . ?
C43 C49 C50 F27 -1.4(8) . . . . ?
C43 C49 C50 C51 176.5(5) . . . . ?
C49 C54 C53 F30 176.7(4) . . . . ?
C49 C54 C53 C52 -1.6(8) . . . . ?
C25 C26 C27 Mo4 63.7(4) . . . . ?
C25 C26 C27 C28 0.1(7) . . . . ?
C25 C24 C28 Mo4 -66.1(4) . . . . ?
C25 C24 C28 C27 -1.1(6) . . . . ?
C61 C55 C56 F33 -61.1(5) . . . . ?
C61 C55 C56 F32 60.3(5) . . . . ?
C61 C55 C56 C57 178.4(4) . . . . ?
C61 C66 C65 F45 179.4(5) . . . . ?
C61 C66 C65 C64 1.3(9) . . . . ?
C61 C62 C63 F43 -178.0(6) . . . . ?
C61 C62 C63 C64 0.8(11) . . . . ?
C65 C66 C61 C55 -172.7(5) . . . . ?
C65 C66 C61 C62 -0.7(8) . . . . ?
C26 C25 C24 Mo4 -62.7(4) . . . . ?
C26 C25 C24 C28 1.2(6) . . . . ?
C26 C27 C28 Mo4 65.8(4) . . . . ?
C26 C27 C28 C24 0.6(7) . . . . ?
C7 C6 C5 Mo1 -62.8(4) . . . . ?
C7 C6 C5 C4 0.4(6) . . . . ?
C7 C3 C4 Mo1 66.1(4) . . . . ?
C7 C3 C4 C5 0.6(6) . . . . ?
C21 C17 C18 Mo3 64.6(4) . . . . ?
C21 C17 C18 C19 -0.7(7) . . . . ?
C21 C20 C19 Mo3 -61.9(5) . . . . ?
C21 C20 C19 C18 -0.1(7) . . . . ?
C17 C21 C20 Mo3 -64.7(5) . . . . ?
C17 C21 C20 C19 -0.3(8) . . . . ?
C17 C18 C19 Mo3 62.6(4) . . . . ?
C17 C18 C19 C20 0.5(7) . . . . ?
C53 C54 C49 C43 -175.3(4) . . . . ?
C53 C54 C49 C50 0.5(7) . . . . ?
C24 C25 C26 Mo4 61.6(4) . . . . ?
C24 C25 C26 C27 -0.8(6) . . . . ?
C50 C51 C52 F29 -178.9(5) . . . . ?
C50 C51 C52 C53 0.7(8) . . . . ?
C13 C14 C10 Mo2 65.9(4) . . . . ?
C13 C14 C10 C11 0.5(7) . . . . ?
C13 C12 C11 Mo2 -63.6(4) . . . . ?
C13 C12 C11 C10 0.0(6) . . . . ?
C62 C63 C64 F44 -177.7(7) . . . . ?
C62 C63 C64 C65 -0.1(11) . . . . ?
C14 C13 C12 Mo2 -62.1(4) . . . . ?
C14 C13 C12 C11 0.3(6) . . . . ?
C14 C10 C11 Mo2 65.2(4) . . . . ?
C14 C10 C11 C12 -0.3(7) . . . . ?
C6 C7 C3 Mo1 63.7(4) . . . . ?
C6 C7 C3 C4 -0.4(6) . . . . ?
C6 C5 C4 Mo1 -65.6(4) . . . . ?
C6 C5 C4 C3 -0.6(7) . . . . ?
C3 C7 C6 Mo1 -61.8(4) . . . . ?
C3 C7 C6 C5 0.0(6) . . . . ?
C52 C51 C50 F27 176.2(5) . . . . ?
C52 C51 C50 C49 -1.9(8) . . . . ?
C20 C21 C17 Mo3 66.5(5) . . . . ?
C20 C21 C17 C18 0.6(7) . . . . ?
C12 C13 C14 Mo2 64.0(4) . . . . ?
C12 C13 C14 C10 -0.5(7) . . . . ?

_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 1.719
_oxdiff_exptl_absorpt_empirical_full_min 0.688
_vrf_PLAT430_psh_133_mp_abs_gaus 
;
PROBLEM: Short Inter D...A Contact  O4       ..O5       .       2.82 Ang.  
RESPONSE: The short O4-O5 distance of the two CO ligands is caused by 
packing effects and is a known phenomenon for carbonyl complexes. The 
presence of a missed hydrogen atom can be excluded.
;
####################################################################### 
# 
# 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_141_mp_abs_ana
_database_code_depnum_ccdc_archive 'CCDC 2330300'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-02-01 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2020-06-26
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.05.22 svn.r1d9e7f8d for OlexSys, GUI svn.r6115)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H40 Ag2 As4 Mo8 O16 Sb4, 2(Al C36 F46 O3), C H2 Cl2'
_chemical_formula_sum            'C129 H42 Ag2 Al2 As4 Cl2 F92 Mo8 O22 Sb4'
_chemical_formula_weight         5586.42
_chemical_melting_point          ?
_chemical_oxdiff_formula         C129H42Ag2Al2As4Cl2F92Mo8O22Sb4
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.46640(10)
_cell_length_b                   40.5323(3)
_cell_length_c                   33.5837(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.7040(10)
_cell_angle_gamma                90
_cell_volume                     15601.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    41228
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      71.5150
_cell_measurement_theta_min      4.0900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.419
_exptl_absorpt_correction_T_max  0.233
_exptl_absorpt_correction_T_min  0.091
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.54a (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 red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10584
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -17 17 0.1236
7 -5 4 0.1343
7 4 -4 0.1372
-7 -6 7 0.1197
0 -21 -14 0.0771
6 -13 8 0.1407
2 16 16 0.1197
0 0 22 0.1307
1 11 -20 0.0987
7 -6 0 0.1285
-7 1 8 0.1115
-6 10 -9 0.1475
-7 -7 2 0.1047
-1 26 -1 0.0869
6 1 11 0.1305
-2 22 11 0.0840
-1 11 20 0.1078
-4 16 14 0.1038
6 11 -8 0.1260
1 18 -15 0.0799
0 24 -9 0.0678
7 1 6 0.1246

_exptl_crystal_size_max          0.265
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.181
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
0.1529 -16.7934 16.7346 0.1809 0.7664 0.6163
7.1034 -5.0032 4.4024 -0.0811 -0.3237 0.9427
7.2674 3.6448 -4.2353 -0.1789 -0.7373 0.6514
-6.8910 -6.3636 6.9156 0.2015 0.8339 -0.5138
0.1987 -20.5715 -13.6123 -0.9721 0.2326 0.0291
5.8942 -12.6143 7.7166 -0.1278 0.0332 0.9912
1.8839 15.9953 16.2568 0.9213 -0.2195 0.3211
0.3261 0.3041 21.7397 0.7627 0.4168 0.4946
0.5033 10.8348 -19.8319 -0.4426 -0.7274 -0.5244
7.2716 -5.5853 -0.1928 -0.2586 -0.4166 0.8716
-6.9597 0.7535 8.2951 0.4213 0.6846 -0.5949
-6.0080 9.9840 -9.3237 0.0104 0.0099 -0.9999
-7.1850 -6.7038 1.8762 0.0218 0.7609 -0.6485
-1.2161 25.9414 -0.5623 0.6213 -0.5861 -0.5201
6.3456 1.0946 10.8121 0.3015 -0.2900 0.9083
-1.7154 22.2751 10.6218 0.9329 -0.2223 -0.2833
-0.8507 11.2856 19.6106 0.9702 0.1802 0.1618
-3.8326 15.7357 13.7243 0.9193 0.1721 -0.3540
6.2104 11.1440 -8.2092 -0.1212 -0.9316 0.3427
1.0403 18.3697 -15.3670 -0.1147 -0.8700 -0.4795
0.0366 23.7248 -9.3934 0.2389 -0.8075 -0.5394
7.0525 1.0330 6.3140 0.1311 -0.4355 0.8906

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            66428
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.725
_diffrn_reflns_theta_min         3.419
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2548
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  43.00   0.50    7.50    --   39.90 -38.00  60.00  162
  2  ω    -43.00  27.00   0.50    7.50    --   39.90 -19.00   0.00  140
  3  ω    -20.00  81.00   0.50    7.50    --   39.90 -99.00 -30.00  202
  4  ω     24.00 105.00   0.50   25.00    --  105.16 -77.00 -90.00  162
  5  ω     39.00 130.00   0.50   25.00    --  105.16 178.00-150.00  182
  6  ω     20.00  80.00   0.50   25.00    --  105.16 -95.00 -90.00  120
  7  ω     80.00 178.00   0.50   25.00    --  105.16  77.00   0.00  196
  8  ω     20.00  80.00   0.50   25.00    --  105.16 -95.00   0.00  120
  9  ω     29.00  71.00   0.50   25.00    --  105.16 -61.00 -60.00   84
 10  ω     84.00 174.00   0.50   25.00    --  105.16  77.00  60.00  180
;
_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      -0.0162395000
_diffrn_orient_matrix_UB_12      0.0239463000
_diffrn_orient_matrix_UB_13      0.0349899000
_diffrn_orient_matrix_UB_21      -0.0765009000
_diffrn_orient_matrix_UB_22      -0.0257298000
_diffrn_orient_matrix_UB_23      0.0206780000
_diffrn_orient_matrix_UB_31      0.1093128000
_diffrn_orient_matrix_UB_32      -0.0144644000
_diffrn_orient_matrix_UB_33      0.0213152000
_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                27646
_reflns_number_total             29653
_reflns_odcompleteness_completeness 99.28
_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 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.54a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.54a (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         1.699
_refine_diff_density_min         -1.811
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2548
_refine_ls_number_reflns         29653
_refine_ls_number_restraints     164
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.075
_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)+(0.0700P)²+22.3482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1137
_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
 Sb4B-As4B \\sim Sb4A-As4A
 with sigma of 0.02
 Sb1B-As1B \\sim Sb1A-As1A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
As2A \\sim Sb2B \\sim Sb2A \\sim As2B: within 2.7A with sigma of 0.001 and
sigma for terminal atoms of 0.01 within 2.7A
As4A \\sim Sb4B \\sim Sb4A \\sim As4B: within 2.7A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2.7A
C7A \\sim C7B \\sim C6B: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 1.7A
Sb3A \\sim As3A \\sim As3B \\sim Sb3B: within 2.7A with sigma of 0.001 and
sigma for terminal atoms of 0.01 within 2.7A
Ag2A \\sim Ag2B: within 2.7A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2.7A
As1A \\sim Sb1B \\sim As1B \\sim Sb1A: within 2.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2.7A
4. Others
 Fixed Sof: Sb1A(0.8) Sb4A(0.86) Sb3A(0.72) Ag2A(0.62) Sb2A(0.65) As2A(0.65)
 As3A(0.72) As4A(0.86) As1A(0.8) Sb2B(0.35) As2B(0.35) As3B(0.28) Sb3B(0.28)
 O1A(0.53) C7A(0.53) H7A(0.53) C1A(0.53) C5A(0.53) H5A(0.53) C3A(0.53)
 H3A(0.53) C6A(0.53) H6A(0.53) C4A(0.53) H4A(0.53) C6B(0.47) H6B(0.47)
 C3B(0.47) H3B(0.47) C5B(0.47) H5B(0.47) C4B(0.47) H4B(0.47) O1B(0.47)
 O2A(0.53) C7B(0.47) H7B(0.47) C1B(0.47) C2B(0.47) O2B(0.47) C2A(0.53)
 As1B(0.2) Sb1B(0.2) Ag2B(0.38) As4B(0.14) Sb4B(0.14)
5.a Secondary CH2 refined with riding coordinates:
 C129(H12A,H12B)
5.b Aromatic/amide H refined with riding coordinates:
 C17(H17), C56(H56), C48(H48), C25(H25), C53(H53), C26(H26), C18(H18),
 C20(H20), C31(H31), C54(H54), C24(H24), C28(H28), C49(H49), C27(H27), C21(H21),
  C52(H52), C55(H55), C46(H46), C45(H45), C19(H19), C47(H47), C32(H32),
 C35(H35), C41(H41), C14(H14), C39(H39), C33(H33), C38(H38), C13(H13), C42(H42),
  C34(H34), C40(H40), C12(H12), C11(H11), C10(H10), C7A(H7A), C5A(H5A),
 C3A(H3A), C6A(H6A), C4A(H4A), C6B(H6B), C3B(H3B), C5B(H5B), C4B(H4B), 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
Sb1A Sb -0.02850(14) 0.69078(5) 0.26708(6) 0.0213(3) Uani 0.8 1 d D U P A 1
Sb4A Sb -0.22023(8) 0.57420(2) 0.23768(3) 0.02318(16) Uani 0.86 1 d D U P A 1
Mo4 Mo 0.34208(3) 0.59248(2) 0.16434(2) 0.01734(7) Uani 1 1 d . . . . .
Sb3A Sb 0.17262(15) 0.59804(5) 0.32341(6) 0.0212(2) Uani 0.72 1 d . U P A 1
Mo3 Mo 0.29474(3) 0.66222(2) 0.13134(2) 0.01782(7) Uani 1 1 d . . . . .
Mo8 Mo -0.12134(3) 0.52813(2) 0.18917(2) 0.01838(8) Uani 1 1 d . . . . .
Mo6 Mo 0.19953(3) 0.62746(2) 0.39836(2) 0.01949(8) Uani 1 1 d . . . . .
Mo7 Mo -0.11863(3) 0.52276(2) 0.28105(2) 0.01886(8) Uani 1 1 d . . . . .
Ag2A Ag 0.1798(4) 0.64734(9) 0.26228(10) 0.0271(5) Uani 0.62 1 d . U P A 1
Sb2A Sb 0.1493(2) 0.63154(8) 0.18093(9) 0.0223(3) Uani 0.65 1 d . U P A 1
Mo2 Mo -0.12855(3) 0.73663(2) 0.21822(2) 0.01917(8) Uani 1 1 d . . . . .
Mo5 Mo 0.39211(3) 0.58936(2) 0.35594(2) 0.02223(8) Uani 1 1 d . . . . .
Ag1 Ag -0.05347(4) 0.62717(2) 0.23478(2) 0.03520(9) Uani 1 1 d . . . . .
Mo1 Mo -0.25803(3) 0.70344(2) 0.28721(2) 0.02601(9) Uani 1 1 d . . . . .
As2A As 0.3699(4) 0.64843(14) 0.20656(16) 0.0251(5) Uani 0.65 1 d . U P A 1
As3A As 0.2980(2) 0.64924(11) 0.33500(13) 0.0219(3) Uani 0.72 1 d . U P A 1
As4A As -0.0027(3) 0.56503(13) 0.24101(17) 0.0209(4) Uani 0.86 1 d D U P A 1
As1A As -0.2095(3) 0.67308(7) 0.21889(10) 0.0277(6) Uani 0.8 1 d D U P A 1
Al2 Al -0.14529(10) 0.63030(3) -0.06677(4) 0.0150(2) Uani 1 1 d . . . . .
Al1 Al 0.30215(10) 0.37806(3) 0.40441(4) 0.0155(2) Uani 1 1 d . . . . .
Cl1 Cl 0.15765(12) 0.73315(4) 0.35067(5) 0.0449(3) Uani 1 1 d . . . . .
Cl2 Cl 0.2921(2) 0.74129(8) 0.27999(8) 0.0873(8) Uani 1 1 d . . . . .
F47 F -0.0074(2) 0.63451(6) -0.08127(7) 0.0185(5) Uani 1 1 d . . . . .
F18 F 0.0644(2) 0.40025(7) 0.28320(8) 0.0231(5) Uani 1 1 d . . . . .
F17 F 0.1212(2) 0.42107(7) 0.34062(8) 0.0207(5) Uani 1 1 d . . . . .
F11 F 0.1750(2) 0.47725(7) 0.39479(8) 0.0205(5) Uani 1 1 d . . . . .
F10 F 0.1871(2) 0.49497(6) 0.45589(8) 0.0220(5) Uani 1 1 d . . . . .
F12 F 0.3513(2) 0.45001(7) 0.36798(7) 0.0207(5) Uani 1 1 d . . . . .
F9 F -0.0300(2) 0.48652(7) 0.43286(8) 0.0245(5) Uani 1 1 d . . . . .
F1 F 0.4388(2) 0.38800(6) 0.39291(8) 0.0199(5) Uani 1 1 d . . . . .
F92 F -0.0114(2) 0.57048(7) -0.10234(7) 0.0215(5) Uani 1 1 d . . . . .
F4 F 0.0744(2) 0.38942(7) 0.46972(8) 0.0258(6) Uani 1 1 d . . . . .
F2 F 0.2326(2) 0.45393(7) 0.51468(8) 0.0264(6) Uani 1 1 d . . . . .
F20 F 0.0040(2) 0.37170(7) 0.37867(8) 0.0244(5) Uani 1 1 d . . . . .
F79 F -0.1387(2) 0.52515(7) -0.07586(9) 0.0280(6) Uani 1 1 d . . . . .
F87 F -0.1118(2) 0.60295(7) 0.03078(8) 0.0257(6) Uani 1 1 d . . . . .
F40 F 0.4034(3) 0.33945(8) 0.51965(8) 0.0304(6) Uani 1 1 d . . . . .
F57 F -0.2402(2) 0.70930(7) -0.08192(8) 0.0273(6) Uani 1 1 d . . . . .
F3 F 0.2960(2) 0.40476(7) 0.49991(8) 0.0243(5) Uani 1 1 d . . . . .
F62 F 0.0503(2) 0.64924(7) -0.00249(8) 0.0247(6) Uani 1 1 d . . . . .
F8 F 0.0012(2) 0.43756(7) 0.40893(8) 0.0254(6) Uani 1 1 d . . . . .
F91 F 0.2084(2) 0.57978(8) -0.11736(8) 0.0316(6) Uani 1 1 d . . . . .
F88 F 0.0913(2) 0.56702(8) 0.03658(8) 0.0269(6) Uani 1 1 d . . . . .
F72 F -0.2389(2) 0.57215(7) -0.13205(8) 0.0251(6) Uani 1 1 d . . . . .
F32 F 0.2929(2) 0.29478(7) 0.39286(9) 0.0287(6) Uani 1 1 d . . . . .
F77 F -0.0889(2) 0.68435(7) -0.13455(8) 0.0259(6) Uani 1 1 d . . . . .
F69 F -0.4227(2) 0.59988(8) -0.09395(8) 0.0284(6) Uani 1 1 d . . . . .
F78 F -0.1040(2) 0.50882(7) -0.01520(9) 0.0284(6) Uani 1 1 d . . . . .
F86 F -0.1079(2) 0.55025(8) 0.04456(8) 0.0296(6) Uani 1 1 d . . . . .
F31 F 0.2369(3) 0.43391(8) 0.27518(9) 0.0318(6) Uani 1 1 d . . . . .
F64 F -0.2866(2) 0.68565(8) -0.16740(9) 0.0314(6) Uani 1 1 d . . . . .
F42 F 0.5033(2) 0.37652(8) 0.46988(8) 0.0289(6) Uani 1 1 d . . . . .
F33 F 0.3256(3) 0.26138(7) 0.44314(10) 0.0316(6) Uani 1 1 d . . . . .
F71 F -0.3215(2) 0.58500(8) -0.18944(9) 0.0301(6) Uani 1 1 d . . . . .
F13 F 0.5670(2) 0.46603(8) 0.35380(9) 0.0306(6) Uani 1 1 d . . . . .
F6 F 0.0050(3) 0.46690(8) 0.50594(9) 0.0301(6) Uani 1 1 d . . . . .
F41 F 0.4090(3) 0.28664(8) 0.50955(9) 0.0325(7) Uani 1 1 d . . . . .
F66 F -0.4524(2) 0.66885(8) -0.11798(9) 0.0325(6) Uani 1 1 d . . . . .
F63 F -0.3345(2) 0.64676(9) -0.20927(8) 0.0318(7) Uani 1 1 d . . . . .
F25 F 0.1533(3) 0.34521(8) 0.26090(8) 0.0295(6) Uani 1 1 d . . . . .
F49 F -0.0778(2) 0.67761(8) 0.04483(8) 0.0310(6) Uani 1 1 d . . . . .
F39 F 0.1769(3) 0.34221(8) 0.51407(9) 0.0315(6) Uani 1 1 d . . . . .
F89 F 0.3099(2) 0.57236(8) 0.01872(9) 0.0293(6) Uani 1 1 d . . . . .
F74 F 0.1005(3) 0.58704(9) -0.22158(9) 0.0372(7) Uani 1 1 d . . . . .
F48 F -0.1141(3) 0.72914(8) 0.03186(9) 0.0337(7) Uani 1 1 d . . . . .
F50 F -0.2991(3) 0.66113(8) 0.04103(9) 0.0337(7) Uani 1 1 d . . . . .
F56 F -0.2188(3) 0.74665(7) -0.03506(10) 0.0338(6) Uani 1 1 d . . . . .
F27 F 0.4345(2) 0.34181(8) 0.33439(10) 0.0321(6) Uani 1 1 d . . . . .
F58 F -0.0485(3) 0.74671(8) -0.07616(10) 0.0353(7) Uani 1 1 d . . . . .
F21 F -0.0869(3) 0.34999(8) 0.28196(9) 0.0322(7) Uani 1 1 d . . . . .
F22 F -0.1251(2) 0.32821(8) 0.33910(9) 0.0328(7) Uani 1 1 d . . . . .
F35 F 0.1004(2) 0.31924(7) 0.43255(9) 0.0299(6) Uani 1 1 d . . . . .
F5 F 0.0794(3) 0.40914(8) 0.52974(9) 0.0317(6) Uani 1 1 d . . . . .
F73 F -0.1107(3) 0.57882(8) -0.19726(9) 0.0304(6) Uani 1 1 d . . . . .
F81 F -0.3516(2) 0.54445(8) -0.06011(10) 0.0321(7) Uani 1 1 d . . . . .
F23 F 0.0857(3) 0.30639(7) 0.35032(9) 0.0317(6) Uani 1 1 d . . . . .
F59 F 0.1648(3) 0.75030(9) -0.09811(10) 0.0427(8) Uani 1 1 d . . . . .
F46 F 0.5082(3) 0.26960(8) 0.41024(10) 0.0348(7) Uani 1 1 d . . . . .
F26 F 0.2595(3) 0.31537(8) 0.30159(10) 0.0343(7) Uani 1 1 d . . . . .
F61 F 0.2645(2) 0.65483(10) -0.02565(10) 0.0382(7) Uani 1 1 d . . . . .
F51 F -0.2673(3) 0.70368(9) 0.07924(9) 0.0384(7) Uani 1 1 d . . . . .
F16 F 0.4433(3) 0.45598(9) 0.50751(8) 0.0320(7) Uani 1 1 d . . . . .
O20 O -0.1734(3) 0.65951(8) -0.02989(9) 0.0185(6) Uani 1 1 d . . . . .
F67 F -0.5385(3) 0.61120(9) -0.19003(10) 0.0397(8) Uani 1 1 d . . . . .
F85 F -0.3398(2) 0.59590(8) 0.00341(10) 0.0333(7) Uani 1 1 d . . . . .
F34 F 0.1052(3) 0.26598(8) 0.42675(11) 0.0383(7) Uani 1 1 d . . . . .
O18 O 0.2279(3) 0.36207(8) 0.36272(9) 0.0181(6) Uani 1 1 d . . . . .
F7 F -0.1010(2) 0.42962(8) 0.47571(10) 0.0343(7) Uani 1 1 d . . . . .
F80 F -0.3172(3) 0.49522(8) -0.03741(11) 0.0382(7) Uani 1 1 d . . . . .
O17 O 0.2297(2) 0.41343(8) 0.42040(9) 0.0175(6) Uani 1 1 d . . . . .
F82 F -0.3029(3) 0.51468(9) 0.03584(11) 0.0417(8) Uani 1 1 d . . . . .
F54 F -0.4004(2) 0.67766(9) -0.03669(10) 0.0356(7) Uani 1 1 d . . . . .
O21 O -0.2382(2) 0.63751(8) -0.10795(9) 0.0192(6) Uani 1 1 d . . . . .
F24 F 0.0334(3) 0.29650(8) 0.28888(10) 0.0379(7) Uani 1 1 d . . . . .
O22 O -0.1678(2) 0.59062(8) -0.04833(9) 0.0171(6) Uani 1 1 d . . . . .
F19 F -0.1008(2) 0.39776(8) 0.33384(9) 0.0315(6) Uani 1 1 d . . . . .
O8 O 0.2805(3) 0.55561(9) 0.24266(10) 0.0276(7) Uani 1 1 d . . . . .
F84 F -0.3048(3) 0.57511(10) 0.06224(10) 0.0426(8) Uani 1 1 d . . . . .
O19 O 0.3037(3) 0.34927(8) 0.44300(9) 0.0191(6) Uani 1 1 d . . . . .
F65 F -0.5181(2) 0.67437(9) -0.17887(10) 0.0372(7) Uani 1 1 d . . . . .
F36 F 0.0346(3) 0.29421(9) 0.49985(12) 0.0432(8) Uani 1 1 d . . . . .
F76 F 0.1233(3) 0.69044(9) -0.15887(10) 0.0391(8) Uani 1 1 d . . . . .
F90 F 0.3751(2) 0.57916(9) -0.05774(10) 0.0378(7) Uani 1 1 d . . . . .
F38 F 0.2318(3) 0.30164(9) 0.55249(10) 0.0397(8) Uani 1 1 d . . . . .
F37 F 0.1720(3) 0.25721(8) 0.50082(11) 0.0416(8) Uani 1 1 d . . . . .
F30 F 0.4352(3) 0.45619(10) 0.25186(11) 0.0474(9) Uani 1 1 d . . . . .
F14 F 0.7240(3) 0.47797(11) 0.41437(11) 0.0452(9) Uani 1 1 d . . . . .
F70 F -0.4742(3) 0.56468(8) -0.13976(11) 0.0403(8) Uani 1 1 d . . . . .
F68 F -0.6073(2) 0.62285(9) -0.13191(11) 0.0404(8) Uani 1 1 d . . . . .
F83 F -0.4516(3) 0.54010(10) 0.00787(12) 0.0461(9) Uani 1 1 d . . . . .
F60 F 0.3288(3) 0.70532(11) -0.07351(11) 0.0482(9) Uani 1 1 d . . . . .
F15 F 0.6557(3) 0.47150(10) 0.49104(10) 0.0418(8) Uani 1 1 d . . . . .
F55 F -0.4339(3) 0.73022(9) -0.04482(11) 0.0432(8) Uani 1 1 d . . . . .
F45 F 0.7304(3) 0.27647(12) 0.39853(12) 0.0534(10) Uani 1 1 d . . . . .
F75 F 0.2229(3) 0.64282(11) -0.20398(10) 0.0434(9) Uani 1 1 d . . . . .
F52 F -0.3585(3) 0.74448(9) 0.02751(11) 0.0439(8) Uani 1 1 d . . . . .
O7 O 0.1317(3) 0.56038(11) 0.11723(11) 0.0375(9) Uani 1 1 d . . . . .
O10 O 0.5035(3) 0.59675(12) 0.27259(10) 0.0376(9) Uani 1 1 d . . . . .
F43 F 0.7210(3) 0.38424(11) 0.45026(9) 0.0479(10) Uani 1 1 d . . . . .
O3 O -0.3647(3) 0.74073(11) 0.16843(13) 0.0381(9) Uani 1 1 d . . . . .
O15 O 0.1418(3) 0.50795(10) 0.18512(13) 0.0354(8) Uani 1 1 d . . . . .
O11 O 0.0748(3) 0.55936(10) 0.40950(11) 0.0343(8) Uani 1 1 d . . . . .
O16 O -0.0975(4) 0.59025(11) 0.13439(13) 0.0421(10) Uani 1 1 d . . . . .
F28 F 0.6324(3) 0.36605(10) 0.31049(14) 0.0520(10) Uani 1 1 d . . . . .
F29 F 0.6385(3) 0.42330(12) 0.26824(13) 0.0551(11) Uani 1 1 d . . . . .
F53 F -0.4730(3) 0.70180(11) 0.03061(12) 0.0474(9) Uani 1 1 d . . . . .
O13 O -0.3863(3) 0.50669(11) 0.27332(13) 0.0389(9) Uani 1 1 d . . . . .
O4 O -0.0210(4) 0.70504(11) 0.14259(12) 0.0419(9) Uani 1 1 d . . . . .
O5 O 0.5657(3) 0.67353(12) 0.13732(14) 0.0428(10) Uani 1 1 d . . . . .
F44 F 0.8450(3) 0.33321(14) 0.42044(12) 0.0623(13) Uani 1 1 d . . . . .
O12 O -0.0358(4) 0.65966(15) 0.36999(15) 0.0556(13) Uani 1 1 d . . . . .
C23 C 0.2963(4) 0.57046(12) 0.21436(14) 0.0218(9) Uani 1 1 d . . . . .
O6 O 0.2573(4) 0.73048(12) 0.17302(15) 0.0491(11) Uani 1 1 d . . . . .
C22 C 0.2027(4) 0.57378(13) 0.13529(14) 0.0249(9) Uani 1 1 d . . . . .
C51 C -0.1020(4) 0.56790(12) 0.15516(15) 0.0269(10) Uani 1 1 d . . . . .
C50 C 0.0471(4) 0.51700(12) 0.18750(14) 0.0254(9) Uani 1 1 d . . . . .
C63 C 0.3795(4) 0.45262(11) 0.43896(13) 0.0175(8) Uani 1 1 d . . . . .
C15 C 0.4673(5) 0.66908(13) 0.13688(15) 0.0291(10) Uani 1 1 d . . . . .
C123 C 0.0227(4) 0.56794(11) -0.03146(13) 0.0171(8) Uani 1 1 d . . . . .
O9 O 0.5672(4) 0.64123(18) 0.39275(15) 0.0672(18) Uani 1 1 d . . . . .
C118 C -0.1594(4) 0.53232(11) -0.03725(14) 0.0206(9) Uani 1 1 d . . . . .
C43 C -0.2884(5) 0.51348(12) 0.27539(16) 0.0284(10) Uani 1 1 d . . . . .
C36 C 0.1200(4) 0.58379(13) 0.40369(13) 0.0234(9) Uani 1 1 d . . . . .
C30 C 0.4584(4) 0.59582(14) 0.30305(15) 0.0281(10) Uani 1 1 d . . . . .
C57 C 0.2533(3) 0.43986(11) 0.44440(12) 0.0157(8) Uani 1 1 d . . . . .
O14 O -0.1659(5) 0.57277(15) 0.34948(15) 0.0602(14) Uani 1 1 d . . . . .
C64 C 0.4200(4) 0.45565(11) 0.40008(13) 0.0175(8) Uani 1 1 d . . . . .
C8 C -0.2811(4) 0.73779(12) 0.18677(15) 0.0265(10) Uani 1 1 d . . . . .
C65 C 0.5336(4) 0.46420(12) 0.39173(14) 0.0233(9) Uani 1 1 d . . . . .
C58 C 0.2243(4) 0.42905(11) 0.48777(13) 0.0212(9) Uani 1 1 d . . . . .
C122 C -0.1493(4) 0.57311(12) 0.01832(14) 0.0230(9) Uani 1 1 d . . . . .
C111 C -0.1185(4) 0.63167(12) -0.16597(13) 0.0203(9) Uani 1 1 d . . . . .
C17 C 0.1415(5) 0.65207(14) 0.08480(14) 0.0295(11) Uani 1 1 d . . . . .
H17 H 0.068317 0.643449 0.092348 0.035 Uiso 1 1 calc R U . . .
C56 C -0.2219(4) 0.47710(12) 0.19043(15) 0.0237(9) Uani 1 1 d . . . . .
H56 H -0.227654 0.464047 0.213788 0.028 Uiso 1 1 calc R U . . .
C9 C -0.0612(4) 0.71577(12) 0.17065(16) 0.0283(10) Uani 1 1 d . . . . .
C127 C 0.1788(4) 0.57506(12) -0.07939(13) 0.0213(9) Uani 1 1 d . . . . .
C48 C -0.0009(4) 0.47584(13) 0.27063(15) 0.0273(10) Uani 1 1 d . . . . .
H48 H 0.016568 0.467983 0.244837 0.033 Uiso 1 1 calc R U . . .
C62 C 0.1647(4) 0.46798(11) 0.43327(13) 0.0171(8) Uani 1 1 d . . . . .
C69 C 0.2092(4) 0.37019(11) 0.32326(13) 0.0181(8) Uani 1 1 d . . . . .
C25 C 0.5098(4) 0.56406(14) 0.17975(16) 0.0301(11) Uani 1 1 d . . . . .
H25 H 0.526636 0.557756 0.206550 0.036 Uiso 1 1 calc R U . . .
C117 C -0.1111(3) 0.56712(11) -0.02551(13) 0.0173(8) Uani 1 1 d . . . . .
C88 C 0.5532(4) 0.35075(13) 0.45213(14) 0.0255(10) Uani 1 1 d . . . . .
C53 C -0.1566(5) 0.49908(15) 0.13198(16) 0.0334(11) Uani 1 1 d . . . . .
H53 H -0.110757 0.503286 0.109422 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5466(4) 0.59359(14) 0.16132(17) 0.0305(11) Uani 1 1 d . . . . .
H26 H 0.592176 0.610522 0.173619 0.037 Uiso 1 1 calc R U . . .
C94 C -0.1479(4) 0.69786(12) 0.02345(14) 0.0230(9) Uani 1 1 d . . . . .
C37 C 0.0502(5) 0.64672(15) 0.37838(16) 0.0336(11) Uani 1 1 d . . . . .
C68 C 0.4647(4) 0.45868(12) 0.46860(14) 0.0226(9) Uani 1 1 d . . . . .
C119 C -0.2918(4) 0.52751(12) -0.03230(16) 0.0268(10) Uani 1 1 d . . . . .
C70 C 0.0997(4) 0.39284(11) 0.32124(13) 0.0187(8) Uani 1 1 d . . . . .
C82 C 0.2885(4) 0.29219(12) 0.43280(15) 0.0254(10) Uani 1 1 d . . . . .
C18 C 0.2388(5) 0.63315(13) 0.07288(14) 0.0316(11) Uani 1 1 d . . . . .
H18 H 0.241900 0.609787 0.070894 0.038 Uiso 1 1 calc R U . . .
C125 C 0.2289(4) 0.57186(12) -0.01114(14) 0.0219(9) Uani 1 1 d . . . . .
C20 C 0.2892(4) 0.68802(13) 0.07054(14) 0.0249(9) Uani 1 1 d . . . . .
H20 H 0.331873 0.707789 0.066668 0.030 Uiso 1 1 calc R U . . .
C124 C 0.1121(4) 0.56879(11) -0.00258(13) 0.0193(8) Uani 1 1 d . . . . .
C128 C 0.0630(4) 0.57085(11) -0.07066(13) 0.0185(8) Uani 1 1 d . . . . .
C126 C 0.2630(4) 0.57521(12) -0.04969(15) 0.0248(9) Uani 1 1 d . . . . .
C105 C -0.2422(4) 0.62949(11) -0.14751(13) 0.0177(8) Uani 1 1 d . . . . .
C95 C -0.2717(4) 0.69309(13) 0.04112(15) 0.0277(10) Uani 1 1 d . . . . .
C116 C -0.0509(4) 0.65949(12) -0.15694(13) 0.0219(9) Uani 1 1 d . . . . .
C75 C 0.3208(4) 0.38539(12) 0.30497(13) 0.0213(9) Uani 1 1 d . . . . .
C98 C -0.2368(4) 0.71413(12) -0.04216(14) 0.0230(9) Uani 1 1 d . . . . .
C59 C 0.0961(4) 0.41691(12) 0.49105(14) 0.0249(9) Uani 1 1 d . . . . .
C29 C 0.5002(5) 0.62357(18) 0.37817(16) 0.0400(14) Uani 1 1 d . . . . .
C71 C -0.0100(4) 0.37660(12) 0.33918(14) 0.0215(9) Uani 1 1 d . . . . .
C93 C -0.1418(4) 0.69139(11) -0.02249(13) 0.0192(8) Uani 1 1 d . . . . .
C31 C 0.4251(6) 0.53451(16) 0.3418(2) 0.0441(15) Uani 1 1 d . . . . .
H31 H 0.422738 0.527088 0.314950 0.053 Uiso 1 1 calc R U . . .
C54 C -0.2625(5) 0.51518(13) 0.14172(16) 0.0307(11) Uani 1 1 d . . . . .
H54 H -0.299845 0.532137 0.126561 0.037 Uiso 1 1 calc R U . . .
C24 C 0.4429(4) 0.54535(14) 0.15096(16) 0.0306(11) Uani 1 1 d . . . . .
H24 H 0.407010 0.524532 0.154998 0.037 Uiso 1 1 calc R U . . .
C28 C 0.4408(5) 0.56413(15) 0.11509(16) 0.0335(12) Uani 1 1 d . . . . .
H28 H 0.402868 0.557795 0.090737 0.040 Uiso 1 1 calc R U . . .
C49 C -0.0990(5) 0.46675(13) 0.29316(15) 0.0289(10) Uani 1 1 d . . . . .
H49 H -0.158779 0.451782 0.284961 0.035 Uiso 1 1 calc R U . . .
C16 C 0.2716(5) 0.70507(13) 0.15911(16) 0.0298(10) Uani 1 1 d . . . . .
C76 C 0.4278(4) 0.36955(13) 0.31322(15) 0.0272(10) Uani 1 1 d . . . . .
C27 C 0.5035(4) 0.59344(15) 0.12146(16) 0.0314(11) Uani 1 1 d . . . . .
H27 H 0.515021 0.610274 0.102297 0.038 Uiso 1 1 calc R U . . .
C106 C -0.3264(4) 0.65444(13) -0.16967(14) 0.0237(9) Uani 1 1 d . . . . .
C74 C 0.1741(4) 0.33781(12) 0.30000(14) 0.0233(9) Uani 1 1 d . . . . .
C112 C -0.0619(4) 0.60772(13) -0.18777(14) 0.0241(9) Uani 1 1 d . . . . .
C99 C -0.0144(4) 0.69880(12) -0.03527(14) 0.0216(9) Uani 1 1 d . . . . .
C87 C 0.4914(4) 0.32176(12) 0.44277(14) 0.0225(9) Uani 1 1 d . . . . .
C21 C 0.1715(4) 0.68569(13) 0.08355(14) 0.0262(10) Uani 1 1 d . . . . .
H21 H 0.122511 0.703661 0.090149 0.031 Uiso 1 1 calc R U . . .
C52 C -0.1325(4) 0.47539(13) 0.16268(16) 0.0285(10) Uani 1 1 d . . . . .
H52 H -0.067309 0.460944 0.164104 0.034 Uiso 1 1 calc R U . . .
C55 C -0.3024(4) 0.50193(13) 0.17722(15) 0.0271(10) Uani 1 1 d . . . . .
H55 H -0.371113 0.508341 0.190296 0.033 Uiso 1 1 calc R U . . .
C113 C 0.0515(4) 0.61144(15) -0.20048(14) 0.0297(11) Uani 1 1 d . . . . .
C61 C 0.0343(4) 0.45876(11) 0.43774(13) 0.0183(8) Uani 1 1 d . . . . .
C46 C 0.0103(5) 0.50401(15) 0.32998(16) 0.0330(11) Uani 1 1 d . . . . .
H46 H 0.036137 0.518336 0.350818 0.040 Uiso 1 1 calc R U . . .
C114 C 0.1142(4) 0.63927(15) -0.19176(14) 0.0292(11) Uani 1 1 d . . . . .
C66 C 0.6140(4) 0.46966(14) 0.42231(16) 0.0287(10) Uani 1 1 d . . . . .
C79 C 0.4342(5) 0.42774(15) 0.27157(15) 0.0323(12) Uani 1 1 d . . . . .
C101 C 0.1373(5) 0.72619(14) -0.07324(15) 0.0304(11) Uani 1 1 d . . . . .
C80 C 0.3292(4) 0.41486(13) 0.28407(14) 0.0259(10) Uani 1 1 d . . . . .
C72 C -0.0416(4) 0.34375(13) 0.31878(14) 0.0244(9) Uani 1 1 d . . . . .
C86 C 0.3520(4) 0.31488(12) 0.49907(14) 0.0239(9) Uani 1 1 d . . . . .
C92 C 0.5560(4) 0.29755(13) 0.42385(15) 0.0277(10) Uani 1 1 d . . . . .
C100 C 0.0233(4) 0.72350(12) -0.06083(15) 0.0256(9) Uani 1 1 d . . . . .
C45 C -0.0922(5) 0.48387(14) 0.32989(16) 0.0339(11) Uani 1 1 d . . . . .
H45 H -0.146014 0.482266 0.350760 0.041 Uiso 1 1 calc R U . . .
C78 C 0.5365(5) 0.41112(17) 0.28002(18) 0.0391(14) Uani 1 1 d . . . . .
C19 C 0.3304(5) 0.65536(14) 0.06448(15) 0.0300(10) Uani 1 1 d . . . . .
H19 H 0.406151 0.649455 0.056245 0.036 Uiso 1 1 calc R U . . .
C47 C 0.0663(4) 0.49884(14) 0.29371(17) 0.0323(11) Uani 1 1 d . . . . .
H47 H 0.136818 0.508973 0.285971 0.039 Uiso 1 1 calc R U . . .
C60 C 0.0064(4) 0.44344(12) 0.47819(15) 0.0248(9) Uani 1 1 d . . . . .
C32 C 0.3301(5) 0.53525(15) 0.36793(19) 0.0409(13) Uani 1 1 d . . . . .
H32 H 0.252891 0.528120 0.361519 0.049 Uiso 1 1 calc R U . . .
C81 C 0.3609(4) 0.32057(12) 0.45300(14) 0.0208(9) Uani 1 1 d . . . . .
C109 C -0.4269(4) 0.59480(13) -0.13328(15) 0.0272(10) Uani 1 1 d . . . . .
C44 C -0.1512(5) 0.55582(15) 0.32308(16) 0.0335(12) Uani 1 1 d . . . . .
C89 C 0.6701(5) 0.35492(17) 0.44319(15) 0.0357(13) Uani 1 1 d . . . . .
C121 C -0.2843(4) 0.57129(15) 0.02248(16) 0.0315(11) Uani 1 1 d . . . . .
C67 C 0.5795(4) 0.46682(14) 0.46092(16) 0.0296(10) Uani 1 1 d . . . . .
C73 C 0.0630(4) 0.32047(12) 0.31497(15) 0.0258(10) Uani 1 1 d . . . . .
C77 C 0.5335(4) 0.38236(16) 0.30069(18) 0.0364(13) Uani 1 1 d . . . . .
C108 C -0.5095(4) 0.62095(14) -0.15243(16) 0.0302(11) Uani 1 1 d . . . . .
C110 C -0.3034(4) 0.59527(12) -0.15131(14) 0.0230(9) Uani 1 1 d . . . . .
C35 C 0.5234(6) 0.5468(2) 0.3631(2) 0.0508(17) Uani 1 1 d . . . . .
H35 H 0.599751 0.549076 0.353172 0.061 Uiso 1 1 calc R U . . .
C104 C 0.0734(4) 0.67594(12) -0.02418(13) 0.0219(9) Uani 1 1 d . . . . .
C83 C 0.1573(4) 0.29230(12) 0.44482(17) 0.0291(11) Uani 1 1 d . . . . .
C103 C 0.1866(4) 0.67820(14) -0.03646(15) 0.0270(10) Uani 1 1 d . . . . .
C102 C 0.2195(4) 0.70321(15) -0.06104(16) 0.0322(11) Uani 1 1 d . . . . .
C120 C -0.3345(4) 0.53816(14) 0.00913(17) 0.0323(11) Uani 1 1 d . . . . .
C41 C 0.3398(5) 0.63366(18) 0.45039(15) 0.0383(14) Uani 1 1 d . . . . .
H41 H 0.412792 0.622593 0.450292 0.046 Uiso 1 1 calc R U . . .
C85 C 0.2261(4) 0.31209(13) 0.51445(16) 0.0286(10) Uani 1 1 d . . . . .
C97 C -0.3621(4) 0.70774(14) -0.02699(17) 0.0310(11) Uani 1 1 d . . . . .
C96 C -0.3677(4) 0.71247(15) 0.01869(18) 0.0337(11) Uani 1 1 d . . . . .
C91 C 0.6746(5) 0.30099(17) 0.41650(16) 0.0369(13) Uani 1 1 d . . . . .
C14 C -0.1614(6) 0.79296(14) 0.2198(2) 0.0478(17) Uani 1 1 d . . . . .
H14 H -0.236336 0.801785 0.213316 0.057 Uiso 1 1 calc R U . . .
C107 C -0.4526(4) 0.65504(13) -0.15406(15) 0.0268(10) Uani 1 1 d . . . . .
C39 C 0.1975(6) 0.67212(17) 0.44070(17) 0.0418(14) Uani 1 1 d . . . . .
H39 H 0.157496 0.691643 0.432641 0.050 Uiso 1 1 calc R U . . .
C115 C 0.0629(4) 0.66330(14) -0.16925(15) 0.0285(10) Uani 1 1 d . . . . .
C33 C 0.3689(6) 0.54832(17) 0.40506(18) 0.0439(15) Uani 1 1 d . . . . .
H33 H 0.323009 0.551744 0.427780 0.053 Uiso 1 1 calc R U . . .
C38 C 0.1479(5) 0.64484(17) 0.46007(15) 0.0382(13) Uani 1 1 d . . . . .
H38 H 0.069217 0.643034 0.467856 0.046 Uiso 1 1 calc R U . . .
C129 C 0.2961(5) 0.74095(16) 0.3324(2) 0.0500(17) Uani 1 1 d . . . . .
H12A H 0.351143 0.723735 0.342180 0.060 Uiso 1 1 calc R U . B 1
H12B H 0.324536 0.762545 0.342510 0.060 Uiso 1 1 calc R U . B 1
C84 C 0.1460(4) 0.28854(13) 0.49021(18) 0.0325(11) Uani 1 1 d . . . . .
C90 C 0.7310(4) 0.32972(19) 0.42673(16) 0.0397(14) Uani 1 1 d . . . . .
C13 C -0.1185(6) 0.78480(17) 0.2577(2) 0.0493(17) Uani 1 1 d . . . . .
H13 H -0.159192 0.787459 0.281714 0.059 Uiso 1 1 calc R U . . .
C42 C 0.2351(5) 0.62080(17) 0.46585(15) 0.0393(14) Uani 1 1 d . . . . .
H42 H 0.225718 0.599797 0.477886 0.047 Uiso 1 1 calc R U . . .
C34 C 0.4882(6) 0.5553(2) 0.4019(2) 0.0512(17) Uani 1 1 d . . . . .
H34 H 0.537480 0.564191 0.422450 0.061 Uiso 1 1 calc R U . . .
C40 C 0.3176(5) 0.66534(17) 0.43532(16) 0.0404(14) Uani 1 1 d . . . . .
H40 H 0.372651 0.679645 0.423670 0.048 Uiso 1 1 calc R U . . .
C12 C -0.0049(5) 0.77194(15) 0.2547(2) 0.0425(15) Uani 1 1 d . . . . .
H12 H 0.043352 0.764154 0.276141 0.051 Uiso 1 1 calc R U . . .
C11 C 0.0243(6) 0.77262(16) 0.2147(2) 0.0508(17) Uani 1 1 d . . . . .
H11 H 0.095985 0.765633 0.204057 0.061 Uiso 1 1 calc R U . . .
C10 C -0.0735(7) 0.78576(16) 0.1928(2) 0.0520(17) Uani 1 1 d . . . . .
H10 H -0.078447 0.789070 0.164784 0.062 Uiso 1 1 calc R U . . .
Sb2B Sb 0.3516(4) 0.64597(15) 0.20818(18) 0.0245(4) Uani 0.35 1 d . U P A 2
As2B As 0.1658(8) 0.6334(3) 0.1814(3) 0.0240(5) Uani 0.35 1 d . U P A 2
As3B As 0.1879(8) 0.6005(2) 0.3260(3) 0.0221(4) Uani 0.28 1 d . U P A 2
Sb3B Sb 0.3171(4) 0.64925(17) 0.3366(2) 0.0226(4) Uani 0.28 1 d . U P A 2
O1A O -0.1124(7) 0.7331(3) 0.3543(3) 0.043(2) Uani 0.53 1 d . . P A 1
C7A C -0.4265(12) 0.7067(4) 0.3215(5) 0.031(3) Uani 0.53 1 d . U P A 1
H7A H -0.424953 0.698097 0.347861 0.037 Uiso 0.53 1 calc R U P A 1
C1A C -0.1650(12) 0.7201(4) 0.3276(4) 0.033(3) Uani 0.53 1 d . . P A 1
C5A C -0.4091(9) 0.7411(3) 0.2675(3) 0.0258(19) Uani 0.53 1 d . . P A 1
H5A H -0.394905 0.759796 0.251278 0.031 Uiso 0.53 1 calc R U P A 1
C3A C -0.4597(14) 0.6899(5) 0.2869(5) 0.030(3) Uani 0.53 1 d . . P A 1
H3A H -0.486704 0.667774 0.286296 0.035 Uiso 0.53 1 calc R U P A 1
C6A C -0.3950(8) 0.7397(3) 0.3098(3) 0.032(2) Uani 0.53 1 d . . P A 1
H6A H -0.369673 0.757070 0.326986 0.038 Uiso 0.53 1 calc R U P A 1
C4A C -0.4486(7) 0.7094(3) 0.2538(3) 0.029(2) Uani 0.53 1 d . . P A 1
H4A H -0.464024 0.703052 0.226951 0.035 Uiso 0.53 1 calc R U P A 1
C6B C -0.4362(17) 0.6856(6) 0.2992(6) 0.036(3) Uani 0.47 1 d . U P A 2
H6B H -0.500630 0.691879 0.282434 0.043 Uiso 0.47 1 calc R U P A 2
C3B C -0.2967(10) 0.6841(3) 0.3502(3) 0.032(2) Uani 0.47 1 d . . P A 2
H3B H -0.251000 0.689156 0.373494 0.038 Uiso 0.47 1 calc R U P A 2
C5B C -0.3627(11) 0.6577(3) 0.2937(4) 0.041(3) Uani 0.47 1 d . . P A 2
H5B H -0.370318 0.642424 0.272364 0.049 Uiso 0.47 1 calc R U P A 2
C4B C -0.2793(14) 0.6561(4) 0.3239(5) 0.035(3) Uani 0.47 1 d . . P A 2
H4B H -0.220731 0.639628 0.327092 0.042 Uiso 0.47 1 calc R U P A 2
O1B O -0.3915(8) 0.7685(3) 0.2639(3) 0.044(2) Uani 0.47 1 d . . P A 2
O2A O -0.2532(7) 0.63072(19) 0.3228(3) 0.0403(18) Uani 0.53 1 d . . P A 1
C7B C -0.3945(14) 0.7028(5) 0.3351(5) 0.033(3) Uani 0.47 1 d . U P A 2
H7B H -0.425779 0.722342 0.346167 0.040 Uiso 0.47 1 calc R U P A 2
C1B C -0.3341(11) 0.7459(3) 0.2707(3) 0.029(2) Uani 0.47 1 d . . P A 2
C2B C -0.1536(9) 0.7354(4) 0.3248(4) 0.020(2) Uani 0.47 1 d . . P A 2
O2B O -0.1076(8) 0.7538(3) 0.3461(3) 0.038(2) Uani 0.47 1 d . . P A 2
C2A C -0.2492(10) 0.6571(3) 0.3089(4) 0.027(2) Uani 0.53 1 d . . P A 1
As1B As -0.0385(12) 0.6854(4) 0.2662(5) 0.030(2) Uani 0.2 1 d D U P A 2
Sb1B Sb -0.2106(7) 0.68036(18) 0.2203(2) 0.0215(10) Uani 0.2 1 d D U P A 2
Ag2B Ag 0.1986(6) 0.64813(15) 0.26509(18) 0.0332(11) Uani 0.38 1 d . U P A 2
As4B As -0.2079(11) 0.5674(3) 0.2342(4) 0.0333(16) Uani 0.14 1 d D U P A 2
Sb4B Sb 0.0093(14) 0.5620(6) 0.2428(7) 0.0286(15) Uani 0.14 1 d 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
Sb1A Ag2A 2.975(4) . ?
Sb1A Mo2 2.7110(17) . ?
Sb1A Ag1 2.808(2) . ?
Sb1A Mo1 2.7845(18) . ?
Sb1A As1A 2.691(3) . ?
Sb4A Mo8 2.7452(8) . ?
Sb4A Mo7 2.7794(11) . ?
Sb4A Ag1 2.8787(10) . ?
Sb4A As4A 2.521(3) . ?
Mo4 Mo3 3.0784(5) . ?
Mo4 Sb2A 2.789(3) . ?
Mo4 As2A 2.689(6) . ?
Mo4 C23 1.987(5) . ?
Mo4 C22 1.997(5) . ?
Mo4 C25 2.288(5) . ?
Mo4 C26 2.350(5) . ?
Mo4 C24 2.284(5) . ?
Mo4 C28 2.334(5) . ?
Mo4 C27 2.379(5) . ?
Mo4 Sb2B 2.621(6) . ?
Mo4 As2B 2.689(11) . ?
Sb3A Mo6 2.7941(19) . ?
Sb3A Ag2A 2.868(4) . ?
Sb3A Mo5 2.7364(17) . ?
Sb3A As3A 2.548(3) . ?
Mo3 Sb2A 2.696(3) . ?
Mo3 As2A 2.703(6) . ?
Mo3 C15 2.002(5) . ?
Mo3 C17 2.353(5) . ?
Mo3 C18 2.362(5) . ?
Mo3 C20 2.293(5) . ?
Mo3 C16 1.993(5) . ?
Mo3 C21 2.312(4) . ?
Mo3 C19 2.311(5) . ?
Mo3 Sb2B 2.723(6) . ?
Mo3 As2B 2.555(10) . ?
Mo8 Mo7 3.0929(5) . ?
Mo8 As4A 2.642(5) . ?
Mo8 C51 1.992(5) . ?
Mo8 C50 1.986(5) . ?
Mo8 C56 2.369(5) . ?
Mo8 C53 2.279(5) . ?
Mo8 C54 2.298(5) . ?
Mo8 C52 2.318(5) . ?
Mo8 C55 2.355(5) . ?
Mo8 As4B 2.427(11) . ?
Mo8 Sb4B 2.68(2) . ?
Mo6 Mo5 3.0785(5) . ?
Mo6 As3A 2.593(4) . ?
Mo6 C36 2.001(5) . ?
Mo6 C37 1.981(6) . ?
Mo6 C41 2.353(5) . ?
Mo6 C39 2.302(6) . ?
Mo6 C38 2.283(5) . ?
Mo6 C42 2.307(5) . ?
Mo6 C40 2.373(5) . ?
Mo6 As3B 2.664(10) . ?
Mo6 Sb3B 2.659(7) . ?
Mo7 As4A 2.573(5) . ?
Mo7 C43 1.986(5) . ?
Mo7 C48 2.364(5) . ?
Mo7 C49 2.316(5) . ?
Mo7 C46 2.306(5) . ?
Mo7 C45 2.288(5) . ?
Mo7 C47 2.359(5) . ?
Mo7 C44 1.990(5) . ?
Mo7 As4B 2.590(13) . ?
Mo7 Sb4B 2.54(2) . ?
Ag2A Sb2A 2.818(5) . ?
Ag2A Ag1 2.920(5) . ?
Ag2A As2A 2.915(5) . ?
Ag2A As3A 2.759(6) . ?
Sb2A Ag1 2.993(3) . ?
Sb2A As2A 2.735(6) . ?
Mo2 Mo1 3.0962(5) . ?
Mo2 As1A 2.738(3) . ?
Mo2 C8 2.017(5) . ?
Mo2 C9 1.984(6) . ?
Mo2 C14 2.315(6) . ?
Mo2 C13 2.361(6) . ?
Mo2 C12 2.335(5) . ?
Mo2 C11 2.286(6) . ?
Mo2 C10 2.264(6) . ?
Mo2 As1B 2.806(15) . ?
Mo2 Sb1B 2.469(7) . ?
Mo5 As3A 2.739(4) . ?
Mo5 C30 1.970(5) . ?
Mo5 C29 1.990(6) . ?
Mo5 C31 2.307(6) . ?
Mo5 C32 2.344(6) . ?
Mo5 C35 2.297(6) . ?
Mo5 C33 2.363(6) . ?
Mo5 C34 2.325(6) . ?
Mo5 As3B 2.560(9) . ?
Mo5 Sb3B 2.650(7) . ?
Ag1 As4A 2.592(5) . ?
Ag1 As1A 2.625(3) . ?
Ag1 As2B 3.140(10) . ?
Ag1 As1B 2.591(16) . ?
Ag1 Sb1B 2.842(7) . ?
Ag1 Ag2B 3.152(8) . ?
Ag1 As4B 3.001(13) . ?
Ag1 Sb4B 2.75(2) . ?
Mo1 As1A 2.677(3) . ?
Mo1 C7A 2.283(15) . ?
Mo1 C1A 1.830(16) . ?
Mo1 C5A 2.388(10) . ?
Mo1 C3A 2.376(17) . ?
Mo1 C6A 2.296(10) . ?
Mo1 C4A 2.438(8) . ?
Mo1 C6B 2.21(2) . ?
Mo1 C3B 2.312(11) . ?
Mo1 C5B 2.223(11) . ?
Mo1 C4B 2.299(14) . ?
Mo1 C7B 2.277(16) . ?
Mo1 C1B 1.999(12) . ?
Mo1 C2B 2.149(13) . ?
Mo1 C2A 2.016(12) . ?
Mo1 As1B 2.734(16) . ?
Mo1 Sb1B 2.508(8) . ?
Al2 F47 1.677(3) . ?
Al2 O20 1.750(3) . ?
Al2 O21 1.745(3) . ?
Al2 O22 1.745(3) . ?
Al1 F1 1.674(3) . ?
Al1 O18 1.742(3) . ?
Al1 O17 1.749(3) . ?
Al1 O19 1.744(3) . ?
Cl1 C129 1.747(7) . ?
Cl2 C129 1.760(9) . ?
F18 C70 1.362(5) . ?
F17 C70 1.336(5) . ?
F11 C62 1.354(5) . ?
F10 C62 1.352(5) . ?
F12 C64 1.336(5) . ?
F9 C61 1.352(5) . ?
F92 C128 1.344(5) . ?
F4 C59 1.344(6) . ?
F2 C58 1.355(5) . ?
F20 C71 1.346(5) . ?
F79 C118 1.357(6) . ?
F87 C122 1.347(6) . ?
F40 C86 1.339(6) . ?
F57 C98 1.349(6) . ?
F3 C58 1.339(6) . ?
F62 C104 1.335(6) . ?
F8 C61 1.340(5) . ?
F91 C127 1.343(5) . ?
F88 C124 1.345(5) . ?
F72 C110 1.347(5) . ?
F32 C82 1.348(6) . ?
F77 C116 1.338(6) . ?
F69 C109 1.336(6) . ?
F78 C118 1.354(5) . ?
F86 C122 1.355(5) . ?
F31 C80 1.336(6) . ?
F64 C106 1.346(6) . ?
F42 C88 1.340(6) . ?
F33 C82 1.361(6) . ?
F71 C110 1.357(6) . ?
F13 C65 1.343(5) . ?
F6 C60 1.332(6) . ?
F41 C86 1.359(6) . ?
F66 C107 1.335(6) . ?
F63 C106 1.367(6) . ?
F25 C74 1.361(6) . ?
F49 C94 1.342(6) . ?
F39 C85 1.345(6) . ?
F89 C125 1.347(5) . ?
F74 C113 1.349(6) . ?
F48 C94 1.353(6) . ?
F50 C95 1.333(6) . ?
F56 C98 1.354(6) . ?
F27 C76 1.331(7) . ?
F58 C100 1.343(6) . ?
F21 C72 1.351(6) . ?
F22 C72 1.347(5) . ?
F35 C83 1.331(6) . ?
F5 C59 1.356(6) . ?
F73 C112 1.333(6) . ?
F81 C119 1.333(6) . ?
F23 C73 1.336(6) . ?
F59 C101 1.329(6) . ?
F46 C92 1.333(6) . ?
F26 C74 1.336(6) . ?
F61 C103 1.345(6) . ?
F51 C95 1.350(6) . ?
F16 C68 1.341(6) . ?
O20 C93 1.363(5) . ?
F67 C108 1.355(7) . ?
F85 C121 1.336(6) . ?
F34 C83 1.358(6) . ?
O18 C69 1.376(5) . ?
F7 C60 1.352(6) . ?
F80 C119 1.351(6) . ?
O17 C57 1.363(5) . ?
F82 C120 1.350(6) . ?
F54 C97 1.334(7) . ?
O21 C105 1.367(5) . ?
F24 C73 1.345(6) . ?
O22 C117 1.374(5) . ?
F19 C71 1.357(5) . ?
O8 C23 1.144(6) . ?
F84 C121 1.372(6) . ?
O19 C81 1.372(5) . ?
F65 C107 1.355(5) . ?
F36 C84 1.347(6) . ?
F76 C115 1.340(6) . ?
F90 C126 1.332(5) . ?
F38 C85 1.346(6) . ?
F37 C84 1.350(6) . ?
F30 C79 1.330(7) . ?
F14 C66 1.340(6) . ?
F70 C109 1.351(6) . ?
F68 C108 1.336(6) . ?
F83 C120 1.344(6) . ?
F60 C102 1.337(6) . ?
F15 C67 1.331(6) . ?
F55 C97 1.355(6) . ?
F45 C91 1.336(7) . ?
F75 C114 1.331(6) . ?
F52 C96 1.334(7) . ?
O7 C22 1.138(6) . ?
O10 C30 1.161(6) . ?
F43 C89 1.341(7) . ?
O3 C8 1.130(6) . ?
O15 C50 1.151(6) . ?
O11 C36 1.137(6) . ?
O16 C51 1.145(7) . ?
F28 C77 1.345(7) . ?
F29 C78 1.340(6) . ?
F53 C96 1.355(6) . ?
O13 C43 1.156(7) . ?
O4 C9 1.147(7) . ?
O5 C15 1.142(7) . ?
F44 C90 1.337(6) . ?
O12 C37 1.145(7) . ?
O6 C16 1.145(7) . ?
C63 C57 1.553(6) . ?
C63 C64 1.404(6) . ?
C63 C68 1.396(6) . ?
C123 C117 1.554(6) . ?
C123 C124 1.390(6) . ?
C123 C128 1.413(6) . ?
O9 C29 1.149(8) . ?
C118 C117 1.562(6) . ?
C118 C119 1.544(6) . ?
C57 C58 1.566(6) . ?
C57 C62 1.565(6) . ?
O14 C44 1.138(7) . ?
C64 C65 1.385(6) . ?
C65 C66 1.377(7) . ?
C58 C59 1.557(6) . ?
C122 C117 1.567(6) . ?
C122 C121 1.559(6) . ?
C111 C105 1.568(6) . ?
C111 C116 1.397(7) . ?
C111 C112 1.388(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.421(8) . ?
C17 C21 1.406(8) . ?
C56 H56 0.9500 . ?
C56 C52 1.407(7) . ?
C56 C55 1.427(7) . ?
C127 C128 1.379(6) . ?
C127 C126 1.368(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.422(7) . ?
C48 C47 1.424(8) . ?
C62 C61 1.553(6) . ?
C69 C70 1.555(6) . ?
C69 C75 1.562(6) . ?
C69 C74 1.574(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.417(8) . ?
C25 C24 1.434(8) . ?
C88 C87 1.403(7) . ?
C88 C89 1.393(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.425(8) . ?
C53 C52 1.430(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.413(8) . ?
C94 C95 1.566(6) . ?
C94 C93 1.568(6) . ?
C68 C67 1.388(7) . ?
C119 C120 1.550(8) . ?
C70 C71 1.557(6) . ?
C82 C81 1.562(6) . ?
C82 C83 1.568(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.418(8) . ?
C125 C124 1.383(6) . ?
C125 C126 1.370(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.434(7) . ?
C20 C19 1.422(7) . ?
C105 C106 1.570(6) . ?
C105 C110 1.558(6) . ?
C95 C96 1.532(7) . ?
C116 C115 1.389(7) . ?
C75 C76 1.405(7) . ?
C75 C80 1.390(7) . ?
C98 C93 1.559(6) . ?
C98 C97 1.560(7) . ?
C59 C60 1.541(7) . ?
C71 C72 1.536(7) . ?
C93 C99 1.563(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.419(9) . ?
C31 C35 1.408(11) . ?
C54 H54 0.9500 . ?
C54 C55 1.397(8) . ?
C24 H24 0.9500 . ?
C24 C28 1.424(8) . ?
C28 H28 0.9500 . ?
C28 C27 1.402(9) . ?
C49 H49 0.9500 . ?
C49 C45 1.415(8) . ?
C76 C77 1.395(7) . ?
C27 H27 0.9500 . ?
C106 C107 1.554(6) . ?
C74 C73 1.551(6) . ?
C112 C113 1.389(7) . ?
C99 C100 1.396(7) . ?
C99 C104 1.411(7) . ?
C87 C92 1.394(7) . ?
C87 C81 1.547(6) . ?
C21 H21 0.9500 . ?
C52 H52 0.9500 . ?
C55 H55 0.9500 . ?
C113 C114 1.365(8) . ?
C61 C60 1.536(6) . ?
C46 H46 0.9500 . ?
C46 C45 1.431(8) . ?
C46 C47 1.409(8) . ?
C114 C115 1.376(8) . ?
C66 C67 1.371(8) . ?
C79 C80 1.389(7) . ?
C79 C78 1.375(9) . ?
C101 C100 1.388(7) . ?
C101 C102 1.378(9) . ?
C72 C73 1.535(7) . ?
C86 C81 1.570(6) . ?
C86 C85 1.551(7) . ?
C92 C91 1.397(7) . ?
C45 H45 0.9500 . ?
C78 C77 1.358(10) . ?
C19 H19 0.9500 . ?
C47 H47 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.414(10) . ?
C109 C108 1.548(7) . ?
C109 C110 1.557(7) . ?
C89 C90 1.364(10) . ?
C121 C120 1.523(8) . ?
C108 C107 1.530(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.418(10) . ?
C104 C103 1.376(7) . ?
C83 C84 1.541(8) . ?
C103 C102 1.367(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.421(8) . ?
C41 C40 1.401(10) . ?
C85 C84 1.540(8) . ?
C97 C96 1.549(8) . ?
C91 C90 1.370(10) . ?
C14 H14 0.9500 . ?
C14 C13 1.391(10) . ?
C14 C10 1.406(11) . ?
C39 H39 0.9500 . ?
C39 C38 1.411(9) . ?
C39 C40 1.421(9) . ?
C33 H33 0.9500 . ?
C33 C34 1.404(10) . ?
C38 H38 0.9500 . ?
C38 C42 1.405(10) . ?
C129 H12A 0.9900 . ?
C129 H12B 0.9900 . ?
C13 H13 0.9500 . ?
C13 C12 1.409(8) . ?
C42 H42 0.9500 . ?
C34 H34 0.9500 . ?
C40 H40 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.392(11) . ?
C11 H11 0.9500 . ?
C11 C10 1.426(11) . ?
C10 H10 0.9500 . ?
Sb2B As2B 2.344(13) . ?
Sb2B Ag2B 2.634(7) . ?
As2B Ag2B 2.887(13) . ?
As3B Sb3B 2.489(7) . ?
As3B Ag2B 2.819(12) . ?
Sb3B Ag2B 2.724(10) . ?
O1A C1A 1.189(18) . ?
C7A H7A 0.9500 . ?
C7A C3A 1.39(2) . ?
C7A C6A 1.442(19) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.427(14) . ?
C5A C4A 1.434(15) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.373(19) . ?
C6A H6A 0.9500 . ?
C4A H4A 0.9500 . ?
C6B H6B 0.9500 . ?
C6B C5B 1.42(3) . ?
C6B C7B 1.46(2) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.46(2) . ?
C3B C7B 1.43(2) . ?
C5B H5B 0.9500 . ?
C5B C4B 1.38(2) . ?
C4B H4B 0.9500 . ?
O1B C1B 1.148(15) . ?
O2A C2A 1.168(15) . ?
C7B H7B 0.9500 . ?
C2B O2B 1.150(17) . ?
As1B Sb1B 2.476(12) . ?
As1B Ag2B 3.112(16) . ?
As4B Sb4B 2.509(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
Mo2 Sb1A Ag2A 134.33(10) . . ?
Mo2 Sb1A Ag1 111.04(6) . . ?
Mo2 Sb1A Mo1 68.57(4) . . ?
Ag1 Sb1A Ag2A 60.57(9) . . ?
Mo1 Sb1A Ag2A 152.66(11) . . ?
Mo1 Sb1A Ag1 100.18(6) . . ?
As1A Sb1A Ag2A 114.56(13) . . ?
As1A Sb1A Mo2 60.91(7) . . ?
As1A Sb1A Ag1 56.98(8) . . ?
As1A Sb1A Mo1 58.50(8) . . ?
Mo8 Sb4A Mo7 68.09(2) . . ?
Mo8 Sb4A Ag1 101.58(3) . . ?
Mo7 Sb4A Ag1 107.99(4) . . ?
As4A Sb4A Mo8 60.03(13) . . ?
As4A Sb4A Mo7 57.83(11) . . ?
As4A Sb4A Ag1 56.91(12) . . ?
Sb2A Mo4 Mo3 54.43(6) . . ?
As2A Mo4 Mo3 55.40(12) . . ?
As2A Mo4 Sb2A 59.87(12) . . ?
C23 Mo4 Mo3 131.96(13) . . ?
C23 Mo4 Sb2A 81.67(14) . . ?
C23 Mo4 As2A 87.88(17) . . ?
C23 Mo4 C22 90.85(18) . . ?
C23 Mo4 C25 79.86(19) . . ?
C23 Mo4 C26 109.51(18) . . ?
C23 Mo4 C24 86.48(19) . . ?
C23 Mo4 C28 121.6(2) . . ?
C23 Mo4 C27 138.51(18) . . ?
C23 Mo4 Sb2B 84.50(18) . . ?
C23 Mo4 As2B 83.0(3) . . ?
C22 Mo4 Mo3 92.45(14) . . ?
C22 Mo4 Sb2A 71.66(15) . . ?
C22 Mo4 As2A 131.17(18) . . ?
C22 Mo4 C25 125.1(2) . . ?
C22 Mo4 C26 140.5(2) . . ?
C22 Mo4 C24 89.4(2) . . ?
C22 Mo4 C28 82.2(2) . . ?
C22 Mo4 C27 109.7(2) . . ?
C22 Mo4 Sb2B 127.42(18) . . ?
C22 Mo4 As2B 75.1(3) . . ?
C25 Mo4 Mo3 132.98(15) . . ?
C25 Mo4 Sb2A 155.05(15) . . ?
C25 Mo4 As2A 102.69(18) . . ?
C25 Mo4 C26 35.5(2) . . ?
C25 Mo4 C28 59.36(19) . . ?
C25 Mo4 C27 58.75(19) . . ?
C25 Mo4 Sb2B 105.59(18) . . ?
C25 Mo4 As2B 153.4(3) . . ?
C26 Mo4 Mo3 97.61(14) . . ?
C26 Mo4 Sb2A 142.70(15) . . ?
C26 Mo4 As2A 84.48(17) . . ?
C26 Mo4 C27 34.77(19) . . ?
C26 Mo4 Sb2B 89.06(18) . . ?
C26 Mo4 As2B 139.0(2) . . ?
C24 Mo4 Mo3 141.44(14) . . ?
C24 Mo4 Sb2A 157.33(15) . . ?
C24 Mo4 As2A 139.15(17) . . ?
C24 Mo4 C25 36.55(19) . . ?
C24 Mo4 C26 59.76(19) . . ?
C24 Mo4 C28 35.9(2) . . ?
C24 Mo4 C27 59.2(2) . . ?
C24 Mo4 Sb2B 142.13(18) . . ?
C24 Mo4 As2B 161.0(3) . . ?
C28 Mo4 Mo3 106.32(15) . . ?
C28 Mo4 Sb2A 145.59(15) . . ?
C28 Mo4 As2A 137.45(18) . . ?
C28 Mo4 C26 58.2(2) . . ?
C28 Mo4 C27 34.6(2) . . ?
C28 Mo4 Sb2B 142.41(19) . . ?
C28 Mo4 As2B 146.9(3) . . ?
C27 Mo4 Mo3 84.21(13) . . ?
C27 Mo4 Sb2A 138.36(15) . . ?
C27 Mo4 As2A 102.91(17) . . ?
C27 Mo4 Sb2B 107.85(18) . . ?
C27 Mo4 As2B 136.2(3) . . ?
Sb2B Mo4 Mo3 56.40(13) . . ?
Sb2B Mo4 As2B 52.4(3) . . ?
As2B Mo4 Mo3 52.1(2) . . ?
Mo6 Sb3A Ag2A 110.06(9) . . ?
Mo5 Sb3A Mo6 67.64(4) . . ?
Mo5 Sb3A Ag2A 109.26(11) . . ?
As3A Sb3A Mo6 57.87(9) . . ?
As3A Sb3A Ag2A 60.91(12) . . ?
As3A Sb3A Mo5 62.33(7) . . ?
Sb2A Mo3 Mo4 57.30(7) . . ?
Sb2A Mo3 As2A 60.87(11) . . ?
As2A Mo3 Mo4 54.96(12) . . ?
C15 Mo3 Mo4 86.03(15) . . ?
C15 Mo3 Sb2A 129.41(16) . . ?
C15 Mo3 As2A 69.83(17) . . ?
C15 Mo3 C17 143.4(2) . . ?
C15 Mo3 C18 112.9(2) . . ?
C15 Mo3 C20 91.18(19) . . ?
C15 Mo3 C21 126.13(19) . . ?
C15 Mo3 C19 84.5(2) . . ?
C15 Mo3 Sb2B 74.78(18) . . ?
C15 Mo3 As2B 126.3(3) . . ?
C17 Mo3 Mo4 101.47(13) . . ?
C17 Mo3 Sb2A 82.31(14) . . ?
C17 Mo3 As2A 142.71(16) . . ?
C17 Mo3 C18 35.1(2) . . ?
C17 Mo3 Sb2B 137.74(16) . . ?
C17 Mo3 As2B 85.5(3) . . ?
C18 Mo3 Mo4 83.21(12) . . ?
C18 Mo3 Sb2A 97.22(15) . . ?
C18 Mo3 As2A 138.15(17) . . ?
C18 Mo3 Sb2B 135.92(18) . . ?
C18 Mo3 As2B 99.8(3) . . ?
C20 Mo3 Mo4 137.66(13) . . ?
C20 Mo3 Sb2A 139.38(14) . . ?
C20 Mo3 As2A 157.82(16) . . ?
C20 Mo3 C17 59.19(18) . . ?
C20 Mo3 C18 59.18(18) . . ?
C20 Mo3 C21 36.28(17) . . ?
C20 Mo3 C19 35.98(18) . . ?
C20 Mo3 Sb2B 162.44(17) . . ?
C20 Mo3 As2B 142.5(3) . . ?
C16 Mo3 Mo4 131.03(15) . . ?
C16 Mo3 Sb2A 91.12(17) . . ?
C16 Mo3 As2A 77.65(19) . . ?
C16 Mo3 C15 88.9(2) . . ?
C16 Mo3 C17 110.8(2) . . ?
C16 Mo3 C18 141.9(2) . . ?
C16 Mo3 C20 91.1(2) . . ?
C16 Mo3 C21 83.0(2) . . ?
C16 Mo3 C19 126.1(2) . . ?
C16 Mo3 Sb2B 78.4(2) . . ?
C16 Mo3 As2B 90.2(3) . . ?
C21 Mo3 Mo4 136.51(13) . . ?
C21 Mo3 Sb2A 104.01(14) . . ?
C21 Mo3 As2A 154.86(17) . . ?
C21 Mo3 C17 35.08(19) . . ?
C21 Mo3 C18 58.86(18) . . ?
C21 Mo3 Sb2B 151.83(17) . . ?
C21 Mo3 As2B 106.9(3) . . ?
C19 Mo3 Mo4 101.83(13) . . ?
C19 Mo3 Sb2A 132.48(16) . . ?
C19 Mo3 As2A 145.34(17) . . ?
C19 Mo3 C17 58.93(19) . . ?
C19 Mo3 C18 35.3(2) . . ?
C19 Mo3 C21 59.80(18) . . ?
C19 Mo3 Sb2B 147.91(18) . . ?
C19 Mo3 As2B 135.0(3) . . ?
Sb2B Mo3 Mo4 53.29(13) . . ?
As2B Mo3 Mo4 56.1(3) . . ?
As2B Mo3 Sb2B 52.6(3) . . ?
Sb4A Mo8 Mo7 56.48(2) . . ?
As4A Mo8 Sb4A 55.77(9) . . ?
As4A Mo8 Mo7 52.60(11) . . ?
C51 Mo8 Sb4A 81.07(15) . . ?
C51 Mo8 Mo7 129.14(14) . . ?
C51 Mo8 As4A 81.72(18) . . ?
C51 Mo8 C56 141.20(18) . . ?
C51 Mo8 C53 87.4(2) . . ?
C51 Mo8 C54 82.8(2) . . ?
C51 Mo8 C52 122.2(2) . . ?
C51 Mo8 C55 112.31(19) . . ?
C51 Mo8 As4B 83.2(4) . . ?
C51 Mo8 Sb4B 84.4(5) . . ?
C50 Mo8 Sb4A 126.19(14) . . ?
C50 Mo8 Mo7 91.79(14) . . ?
C50 Mo8 As4A 70.42(17) . . ?
C50 Mo8 C51 92.5(2) . . ?
C50 Mo8 C56 106.05(18) . . ?
C50 Mo8 C53 90.4(2) . . ?
C50 Mo8 C54 126.4(2) . . ?
C50 Mo8 C52 79.77(19) . . ?
C50 Mo8 C55 138.22(19) . . ?
C50 Mo8 As4B 125.6(4) . . ?
C50 Mo8 Sb4B 67.1(4) . . ?
C56 Mo8 Sb4A 111.92(12) . . ?
C56 Mo8 Mo7 84.90(12) . . ?
C56 Mo8 As4A 136.38(16) . . ?
C56 Mo8 As4B 110.7(3) . . ?
C56 Mo8 Sb4B 134.1(5) . . ?
C53 Mo8 Sb4A 141.79(15) . . ?
C53 Mo8 Mo7 143.21(15) . . ?
C53 Mo8 As4A 157.37(18) . . ?
C53 Mo8 C56 59.32(19) . . ?
C53 Mo8 C54 36.3(2) . . ?
C53 Mo8 C52 36.2(2) . . ?
C53 Mo8 C55 59.35(19) . . ?
C53 Mo8 As4B 142.9(4) . . ?
C53 Mo8 Sb4B 155.6(5) . . ?
C54 Mo8 Sb4A 105.79(14) . . ?
C54 Mo8 Mo7 131.43(15) . . ?
C54 Mo8 As4A 157.62(16) . . ?
C54 Mo8 C56 58.65(18) . . ?
C54 Mo8 C52 59.55(18) . . ?
C54 Mo8 C55 34.9(2) . . ?
C54 Mo8 As4B 106.8(4) . . ?
C54 Mo8 Sb4B 161.7(4) . . ?
C52 Mo8 Sb4A 146.72(14) . . ?
C52 Mo8 Mo7 108.46(14) . . ?
C52 Mo8 As4A 142.82(16) . . ?
C52 Mo8 C56 34.92(18) . . ?
C52 Mo8 C55 58.68(18) . . ?
C52 Mo8 As4B 145.6(4) . . ?
C52 Mo8 Sb4B 138.8(4) . . ?
C55 Mo8 Sb4A 91.74(13) . . ?
C55 Mo8 Mo7 96.94(13) . . ?
C55 Mo8 As4A 143.28(16) . . ?
C55 Mo8 C56 35.16(17) . . ?
C55 Mo8 As4B 91.5(3) . . ?
C55 Mo8 Sb4B 144.7(5) . . ?
As4B Mo8 Mo7 54.4(3) . . ?
As4B Mo8 Sb4B 58.5(4) . . ?
Sb4B Mo8 Mo7 51.5(5) . . ?
Sb3A Mo6 Mo5 55.29(4) . . ?
As3A Mo6 Sb3A 56.30(9) . . ?
As3A Mo6 Mo5 56.99(8) . . ?
C36 Mo6 Sb3A 70.42(13) . . ?
C36 Mo6 Mo5 86.14(13) . . ?
C36 Mo6 As3A 125.81(16) . . ?
C36 Mo6 C41 109.3(2) . . ?
C36 Mo6 C39 128.8(2) . . ?
C36 Mo6 C38 93.5(2) . . ?
C36 Mo6 C42 82.9(2) . . ?
C36 Mo6 C40 141.2(2) . . ?
C36 Mo6 As3B 73.0(2) . . ?
C36 Mo6 Sb3B 127.3(2) . . ?
C37 Mo6 Sb3A 77.98(16) . . ?
C37 Mo6 Mo5 131.73(15) . . ?
C37 Mo6 As3A 88.91(17) . . ?
C37 Mo6 C36 89.3(2) . . ?
C37 Mo6 C41 140.7(2) . . ?
C37 Mo6 C39 82.8(2) . . ?
C37 Mo6 C38 86.6(2) . . ?
C37 Mo6 C42 120.3(2) . . ?
C37 Mo6 C40 113.3(3) . . ?
C37 Mo6 As3B 80.4(3) . . ?
C37 Mo6 Sb3B 93.32(19) . . ?
C41 Mo6 Sb3A 140.30(16) . . ?
C41 Mo6 Mo5 85.04(16) . . ?
C41 Mo6 As3A 105.56(16) . . ?
C41 Mo6 C40 34.5(2) . . ?
C41 Mo6 As3B 137.4(3) . . ?
C41 Mo6 Sb3B 101.12(18) . . ?
C39 Mo6 Sb3A 152.74(18) . . ?
C39 Mo6 Mo5 134.48(16) . . ?
C39 Mo6 As3A 104.57(19) . . ?
C39 Mo6 C41 58.4(2) . . ?
C39 Mo6 C42 59.3(2) . . ?
C39 Mo6 C40 35.3(2) . . ?
C39 Mo6 As3B 152.2(3) . . ?
C39 Mo6 Sb3B 103.6(2) . . ?
C38 Mo6 Sb3A 157.62(15) . . ?
C38 Mo6 Mo5 141.59(17) . . ?
C38 Mo6 As3A 140.40(19) . . ?
C38 Mo6 C41 58.9(2) . . ?
C38 Mo6 C39 35.8(2) . . ?
C38 Mo6 C42 35.6(2) . . ?
C38 Mo6 C40 58.99(19) . . ?
C38 Mo6 As3B 161.3(2) . . ?
C38 Mo6 Sb3B 139.2(2) . . ?
C42 Mo6 Sb3A 147.88(18) . . ?
C42 Mo6 Mo5 106.73(17) . . ?
C42 Mo6 As3A 141.03(16) . . ?
C42 Mo6 C41 35.50(19) . . ?
C42 Mo6 C40 58.7(2) . . ?
C42 Mo6 As3B 148.3(3) . . ?
C42 Mo6 Sb3B 136.62(18) . . ?
C40 Mo6 Sb3A 142.50(14) . . ?
C40 Mo6 Mo5 99.25(16) . . ?
C40 Mo6 As3A 87.32(16) . . ?
C40 Mo6 As3B 139.0(2) . . ?
C40 Mo6 Sb3B 84.19(19) . . ?
As3B Mo6 Mo5 52.3(2) . . ?
Sb3B Mo6 Mo5 54.42(13) . . ?
Sb3B Mo6 As3B 55.8(2) . . ?
Sb4A Mo7 Mo8 55.43(2) . . ?
As4A Mo7 Sb4A 56.04(8) . . ?
As4A Mo7 Mo8 54.65(12) . . ?
C43 Mo7 Sb4A 72.39(15) . . ?
C43 Mo7 Mo8 86.39(15) . . ?
C43 Mo7 As4A 126.60(17) . . ?
C43 Mo7 C48 113.3(2) . . ?
C43 Mo7 C49 85.5(2) . . ?
C43 Mo7 C46 127.7(2) . . ?
C43 Mo7 C45 92.7(2) . . ?
C43 Mo7 C47 144.4(2) . . ?
C43 Mo7 C44 89.5(2) . . ?
C43 Mo7 As4B 72.9(3) . . ?
C43 Mo7 Sb4B 130.5(4) . . ?
C48 Mo7 Sb4A 139.29(12) . . ?
C48 Mo7 Mo8 84.13(12) . . ?
C48 Mo7 As4A 98.75(17) . . ?
C48 Mo7 As4B 133.6(3) . . ?
C48 Mo7 Sb4B 95.0(5) . . ?
C49 Mo7 Sb4A 149.80(13) . . ?
C49 Mo7 Mo8 104.02(13) . . ?
C49 Mo7 As4A 134.07(17) . . ?
C49 Mo7 C48 35.37(18) . . ?
C49 Mo7 C47 58.90(19) . . ?
C49 Mo7 As4B 145.7(3) . . ?
C49 Mo7 Sb4B 130.4(5) . . ?
C46 Mo7 Sb4A 150.50(15) . . ?
C46 Mo7 Mo8 136.15(15) . . ?
C46 Mo7 As4A 105.16(17) . . ?
C46 Mo7 C48 58.91(19) . . ?
C46 Mo7 C49 59.68(19) . . ?
C46 Mo7 C47 35.1(2) . . ?
C46 Mo7 As4B 153.8(3) . . ?
C46 Mo7 Sb4B 101.5(4) . . ?
C45 Mo7 Sb4A 159.54(15) . . ?
C45 Mo7 Mo8 139.53(15) . . ?
C45 Mo7 As4A 140.70(16) . . ?
C45 Mo7 C48 59.20(19) . . ?
C45 Mo7 C49 35.8(2) . . ?
C45 Mo7 C46 36.3(2) . . ?
C45 Mo7 C47 59.2(2) . . ?
C45 Mo7 As4B 163.5(3) . . ?
C45 Mo7 Sb4B 136.7(4) . . ?
C47 Mo7 Sb4A 139.75(14) . . ?
C47 Mo7 Mo8 101.01(14) . . ?
C47 Mo7 As4A 83.80(16) . . ?
C47 Mo7 C48 35.11(19) . . ?
C47 Mo7 As4B 137.2(3) . . ?
C47 Mo7 Sb4B 79.5(4) . . ?
C44 Mo7 Sb4A 77.40(18) . . ?
C44 Mo7 Mo8 131.59(18) . . ?
C44 Mo7 As4A 91.9(2) . . ?
C44 Mo7 C48 140.1(2) . . ?
C44 Mo7 C49 123.7(2) . . ?
C44 Mo7 C46 81.2(2) . . ?
C44 Mo7 C45 88.8(2) . . ?
C44 Mo7 C47 109.6(2) . . ?
C44 Mo7 As4B 83.2(3) . . ?
C44 Mo7 Sb4B 93.5(6) . . ?
As4B Mo7 Mo8 49.6(3) . . ?
Sb4B Mo7 Mo8 55.9(5) . . ?
Sb4B Mo7 As4B 58.6(4) . . ?
Sb3A Ag2A Sb1A 109.47(12) . . ?
Sb3A Ag2A Ag1 89.19(12) . . ?
Sb3A Ag2A As2A 120.53(17) . . ?
Sb2A Ag2A Sb1A 96.34(14) . . ?
Sb2A Ag2A Sb3A 122.03(15) . . ?
Sb2A Ag2A Ag1 62.84(10) . . ?
Sb2A Ag2A As2A 56.96(14) . . ?
Ag1 Ag2A Sb1A 56.89(9) . . ?
As2A Ag2A Sb1A 129.99(17) . . ?
As2A Ag2A Ag1 119.77(16) . . ?
As3A Ag2A Sb1A 108.03(13) . . ?
As3A Ag2A Sb3A 53.81(11) . . ?
As3A Ag2A Sb2A 155.26(16) . . ?
As3A Ag2A Ag1 135.16(14) . . ?
As3A Ag2A As2A 102.16(19) . . ?
Mo4 Sb2A Ag2A 104.27(12) . . ?
Mo4 Sb2A Ag1 136.21(12) . . ?
Mo3 Sb2A Mo4 68.27(6) . . ?
Mo3 Sb2A Ag2A 115.64(12) . . ?
Mo3 Sb2A Ag1 155.04(13) . . ?
Mo3 Sb2A As2A 59.70(13) . . ?
Ag2A Sb2A Ag1 60.26(11) . . ?
As2A Sb2A Mo4 58.25(15) . . ?
As2A Sb2A Ag2A 63.31(17) . . ?
As2A Sb2A Ag1 123.5(2) . . ?
Sb1A Mo2 Mo1 56.84(4) . . ?
Sb1A Mo2 As1A 59.18(7) . . ?
As1A Mo2 Mo1 54.20(8) . . ?
C8 Mo2 Sb1A 132.67(15) . . ?
C8 Mo2 Mo1 88.53(15) . . ?
C8 Mo2 As1A 74.77(16) . . ?
C8 Mo2 C14 81.4(2) . . ?
C8 Mo2 C13 107.6(2) . . ?
C8 Mo2 C12 139.8(2) . . ?
C8 Mo2 C11 127.8(3) . . ?
C8 Mo2 C10 91.7(2) . . ?
C8 Mo2 As1B 128.1(3) . . ?
C8 Mo2 Sb1B 73.2(2) . . ?
C9 Mo2 Sb1A 91.57(15) . . ?
C9 Mo2 Mo1 128.63(14) . . ?
C9 Mo2 As1A 75.28(16) . . ?
C9 Mo2 C8 86.6(2) . . ?
C9 Mo2 C14 120.4(3) . . ?
C9 Mo2 C13 142.3(3) . . ?
C9 Mo2 C12 116.0(2) . . ?
C9 Mo2 C11 85.0(2) . . ?
C9 Mo2 C10 87.2(3) . . ?
C9 Mo2 As1B 90.1(4) . . ?
C9 Mo2 Sb1B 77.7(2) . . ?
C14 Mo2 Sb1A 136.77(17) . . ?
C14 Mo2 Mo1 109.2(2) . . ?
C14 Mo2 As1A 150.71(19) . . ?
C14 Mo2 C13 34.6(3) . . ?
C14 Mo2 C12 58.7(2) . . ?
C14 Mo2 As1B 140.7(4) . . ?
C14 Mo2 Sb1B 148.0(3) . . ?
C13 Mo2 Sb1A 102.38(18) . . ?
C13 Mo2 Mo1 87.5(2) . . ?
C13 Mo2 As1A 141.7(2) . . ?
C13 Mo2 As1B 106.1(4) . . ?
C13 Mo2 Sb1B 139.5(3) . . ?
C12 Mo2 Sb1A 82.16(17) . . ?
C12 Mo2 Mo1 99.86(19) . . ?
C12 Mo2 As1A 140.62(19) . . ?
C12 Mo2 C13 34.9(2) . . ?
C12 Mo2 As1B 86.8(3) . . ?
C12 Mo2 Sb1B 141.0(2) . . ?
C11 Mo2 Sb1A 99.1(2) . . ?
C11 Mo2 Mo1 134.5(2) . . ?
C11 Mo2 As1A 149.47(19) . . ?
C11 Mo2 C14 59.8(2) . . ?
C11 Mo2 C13 58.4(3) . . ?
C11 Mo2 C12 35.1(3) . . ?
C11 Mo2 As1B 103.4(3) . . ?
C11 Mo2 Sb1B 152.2(3) . . ?
C10 Mo2 Sb1A 135.53(19) . . ?
C10 Mo2 Mo1 144.1(2) . . ?
C10 Mo2 As1A 158.3(2) . . ?
C10 Mo2 C14 35.7(3) . . ?
C10 Mo2 C13 58.3(3) . . ?
C10 Mo2 C12 59.1(3) . . ?
C10 Mo2 C11 36.5(3) . . ?
C10 Mo2 As1B 139.9(3) . . ?
C10 Mo2 Sb1B 159.1(3) . . ?
As1B Mo2 Mo1 54.9(3) . . ?
Sb1B Mo2 Mo1 52.1(2) . . ?
Sb1B Mo2 As1B 55.6(3) . . ?
Sb3A Mo5 Mo6 57.07(4) . . ?
Sb3A Mo5 As3A 55.46(7) . . ?
As3A Mo5 Mo6 52.55(8) . . ?
C30 Mo5 Sb3A 89.88(14) . . ?
C30 Mo5 Mo6 130.69(15) . . ?
C30 Mo5 As3A 79.07(18) . . ?
C30 Mo5 C29 89.6(2) . . ?
C30 Mo5 C31 82.7(2) . . ?
C30 Mo5 C32 114.0(2) . . ?
C30 Mo5 C35 85.7(2) . . ?
C30 Mo5 C33 141.0(2) . . ?
C30 Mo5 C34 119.3(2) . . ?
C30 Mo5 As3B 89.7(3) . . ?
C30 Mo5 Sb3B 77.8(2) . . ?
C29 Mo5 Sb3A 128.0(2) . . ?
C29 Mo5 Mo6 85.64(17) . . ?
C29 Mo5 As3A 73.4(2) . . ?
C29 Mo5 C31 130.2(3) . . ?
C29 Mo5 C32 140.9(2) . . ?
C29 Mo5 C35 94.9(3) . . ?
C29 Mo5 C33 108.1(3) . . ?
C29 Mo5 C34 83.5(3) . . ?
C29 Mo5 As3B 125.2(3) . . ?
C29 Mo5 Sb3B 69.4(2) . . ?
C31 Mo5 Sb3A 101.31(18) . . ?
C31 Mo5 Mo6 134.66(16) . . ?
C31 Mo5 As3A 150.08(19) . . ?
C31 Mo5 C32 35.5(2) . . ?
C31 Mo5 C33 59.2(2) . . ?
C31 Mo5 C34 59.1(3) . . ?
C31 Mo5 As3B 104.0(3) . . ?
C31 Mo5 Sb3B 152.4(2) . . ?
C32 Mo5 Sb3A 84.77(16) . . ?
C32 Mo5 Mo6 99.46(15) . . ?
C32 Mo5 As3A 138.93(16) . . ?
C32 Mo5 C33 35.0(2) . . ?
C32 Mo5 As3B 87.3(3) . . ?
C32 Mo5 Sb3B 143.26(18) . . ?
C35 Mo5 Sb3A 136.9(2) . . ?
C35 Mo5 Mo6 143.63(17) . . ?
C35 Mo5 As3A 160.7(2) . . ?
C35 Mo5 C31 35.6(3) . . ?
C35 Mo5 C32 58.7(2) . . ?
C35 Mo5 C33 59.1(2) . . ?
C35 Mo5 C34 35.7(2) . . ?
C35 Mo5 As3B 139.6(3) . . ?
C35 Mo5 Sb3B 157.0(2) . . ?
C33 Mo5 Sb3A 104.36(17) . . ?
C33 Mo5 Mo6 86.15(15) . . ?
C33 Mo5 As3A 138.69(17) . . ?
C33 Mo5 As3B 106.1(3) . . ?
C33 Mo5 Sb3B 140.7(2) . . ?
C34 Mo5 Sb3A 138.9(2) . . ?
C34 Mo5 Mo6 108.86(18) . . ?
C34 Mo5 As3A 150.7(2) . . ?
C34 Mo5 C32 58.0(3) . . ?
C34 Mo5 C33 34.8(2) . . ?
C34 Mo5 As3B 140.8(3) . . ?
C34 Mo5 Sb3B 148.4(3) . . ?
As3B Mo5 Mo6 55.5(2) . . ?
As3B Mo5 Sb3B 57.0(2) . . ?
Sb3B Mo5 Mo6 54.70(13) . . ?
Sb1A Ag1 Sb4A 137.04(5) . . ?
Sb1A Ag1 Ag2A 62.54(7) . . ?
Sb1A Ag1 Sb2A 96.14(7) . . ?
Sb4A Ag1 Ag2A 143.24(8) . . ?
Sb4A Ag1 Sb2A 126.39(6) . . ?
Ag2A Ag1 Sb2A 56.90(8) . . ?
As4A Ag1 Sb1A 147.22(12) . . ?
As4A Ag1 Sb4A 54.58(8) . . ?
As4A Ag1 Ag2A 92.58(11) . . ?
As4A Ag1 Sb2A 85.96(12) . . ?
As4A Ag1 As1A 148.79(11) . . ?
As1A Ag1 Sb1A 59.26(7) . . ?
As1A Ag1 Sb4A 94.94(7) . . ?
As1A Ag1 Ag2A 118.56(10) . . ?
As1A Ag1 Sb2A 111.86(10) . . ?
As2B Ag1 Ag2B 54.6(2) . . ?
As1B Ag1 As2B 96.6(4) . . ?
As1B Ag1 Sb1B 54.0(3) . . ?
As1B Ag1 Ag2B 64.8(3) . . ?
As1B Ag1 As4B 140.4(4) . . ?
As1B Ag1 Sb4B 145.3(6) . . ?
Sb1B Ag1 As2B 110.8(3) . . ?
Sb1B Ag1 Ag2B 114.90(18) . . ?
Sb1B Ag1 As4B 103.9(3) . . ?
As4B Ag1 As2B 122.9(3) . . ?
As4B Ag1 Ag2B 139.0(3) . . ?
Sb4B Ag1 As2B 85.5(5) . . ?
Sb4B Ag1 Sb1B 155.3(4) . . ?
Sb4B Ag1 Ag2B 89.6(4) . . ?
Sb4B Ag1 As4B 51.5(4) . . ?
Sb1A Mo1 Mo2 54.59(4) . . ?
As1A Mo1 Sb1A 59.00(8) . . ?
As1A Mo1 Mo2 56.07(7) . . ?
C7A Mo1 Sb1A 162.5(3) . . ?
C7A Mo1 Mo2 141.7(4) . . ?
C7A Mo1 As1A 131.3(4) . . ?
C7A Mo1 C5A 59.0(4) . . ?
C7A Mo1 C3A 34.6(5) . . ?
C7A Mo1 C6A 36.7(5) . . ?
C7A Mo1 C4A 57.7(4) . . ?
C1A Mo1 Sb1A 73.3(4) . . ?
C1A Mo1 Mo2 96.5(4) . . ?
C1A Mo1 As1A 132.3(4) . . ?
C1A Mo1 C7A 95.0(6) . . ?
C1A Mo1 C5A 111.8(5) . . ?
C1A Mo1 C3A 129.3(6) . . ?
C1A Mo1 C6A 84.7(5) . . ?
C1A Mo1 C4A 143.1(5) . . ?
C1A Mo1 C2A 93.0(6) . . ?
C5A Mo1 Sb1A 137.2(2) . . ?
C5A Mo1 Mo2 82.8(2) . . ?
C5A Mo1 As1A 103.0(2) . . ?
C5A Mo1 C4A 34.6(4) . . ?
C3A Mo1 Sb1A 152.1(5) . . ?
C3A Mo1 Mo2 125.8(4) . . ?
C3A Mo1 As1A 96.8(5) . . ?
C3A Mo1 C5A 56.5(5) . . ?
C3A Mo1 C4A 33.1(4) . . ?
C6A Mo1 Sb1A 149.2(3) . . ?
C6A Mo1 Mo2 108.5(3) . . ?
C6A Mo1 As1A 137.7(3) . . ?
C6A Mo1 C5A 35.4(3) . . ?
C6A Mo1 C3A 58.2(5) . . ?
C6A Mo1 C4A 58.4(4) . . ?
C4A Mo1 Sb1A 138.3(2) . . ?
C4A Mo1 Mo2 93.2(2) . . ?
C4A Mo1 As1A 81.8(3) . . ?
C6B Mo1 Mo2 138.0(5) . . ?
C6B Mo1 C3B 61.3(6) . . ?
C6B Mo1 C5B 37.4(7) . . ?
C6B Mo1 C4B 61.1(7) . . ?
C6B Mo1 C7B 38.0(6) . . ?
C6B Mo1 As1B 145.2(7) . . ?
C6B Mo1 Sb1B 105.4(6) . . ?
C3B Mo1 Mo2 160.3(3) . . ?
C3B Mo1 As1B 110.4(4) . . ?
C3B Mo1 Sb1B 138.2(4) . . ?
C5B Mo1 Mo2 135.1(3) . . ?
C5B Mo1 C3B 60.5(5) . . ?
C5B Mo1 C4B 35.4(5) . . ?
C5B Mo1 C7B 62.4(6) . . ?
C5B Mo1 As1B 107.9(5) . . ?
C5B Mo1 Sb1B 84.8(4) . . ?
C4B Mo1 Mo2 145.6(4) . . ?
C4B Mo1 C3B 36.8(5) . . ?
C4B Mo1 As1B 91.6(5) . . ?
C4B Mo1 Sb1B 101.4(5) . . ?
C7B Mo1 Mo2 152.7(5) . . ?
C7B Mo1 C3B 36.4(5) . . ?
C7B Mo1 C4B 61.7(7) . . ?
C7B Mo1 As1B 146.8(6) . . ?
C7B Mo1 Sb1B 143.2(5) . . ?
C1B Mo1 Mo2 68.5(3) . . ?
C1B Mo1 C6B 86.2(7) . . ?
C1B Mo1 C3B 116.8(4) . . ?
C1B Mo1 C5B 120.8(5) . . ?
C1B Mo1 C4B 144.6(6) . . ?
C1B Mo1 C7B 84.4(6) . . ?
C1B Mo1 C2B 82.9(5) . . ?
C1B Mo1 As1B 123.8(5) . . ?
C1B Mo1 Sb1B 100.2(3) . . ?
C2B Mo1 Mo2 84.7(4) . . ?
C2B Mo1 C6B 126.2(6) . . ?
C2B Mo1 C3B 77.6(5) . . ?
C2B Mo1 C5B 137.5(5) . . ?
C2B Mo1 C4B 104.7(6) . . ?
C2B Mo1 C7B 88.5(5) . . ?
C2B Mo1 As1B 79.1(4) . . ?
C2B Mo1 Sb1B 128.3(4) . . ?
C2A Mo1 Sb1A 83.0(3) . . ?
C2A Mo1 Mo2 130.9(4) . . ?
C2A Mo1 As1A 82.7(4) . . ?
C2A Mo1 C7A 84.6(5) . . ?
C2A Mo1 C5A 136.4(4) . . ?
C2A Mo1 C3A 79.9(5) . . ?
C2A Mo1 C6A 120.2(5) . . ?
C2A Mo1 C4A 107.1(4) . . ?
As1B Mo1 Mo2 57.1(3) . . ?
Sb1B Mo1 Mo2 50.96(18) . . ?
Sb1B Mo1 As1B 56.2(3) . . ?
Mo4 As2A Mo3 69.63(14) . . ?
Mo4 As2A Ag2A 104.28(16) . . ?
Mo4 As2A Sb2A 61.89(15) . . ?
Mo3 As2A Ag2A 112.30(18) . . ?
Mo3 As2A Sb2A 59.43(14) . . ?
Sb2A As2A Ag2A 59.73(15) . . ?
Sb3A As3A Mo6 65.83(9) . . ?
Sb3A As3A Ag2A 65.28(12) . . ?
Sb3A As3A Mo5 62.21(10) . . ?
Mo6 As3A Ag2A 120.15(14) . . ?
Mo6 As3A Mo5 70.46(11) . . ?
Mo5 As3A Ag2A 112.45(17) . . ?
Sb4A As4A Mo8 64.20(10) . . ?
Sb4A As4A Mo7 66.13(10) . . ?
Sb4A As4A Ag1 68.51(10) . . ?
Mo7 As4A Mo8 72.75(13) . . ?
Mo7 As4A Ag1 124.82(18) . . ?
Ag1 As4A Mo8 112.76(15) . . ?
Sb1A As1A Mo2 59.90(8) . . ?
Ag1 As1A Sb1A 63.77(9) . . ?
Ag1 As1A Mo2 116.06(12) . . ?
Ag1 As1A Mo1 108.03(12) . . ?
Mo1 As1A Sb1A 62.50(9) . . ?
Mo1 As1A Mo2 69.74(7) . . ?
F47 Al2 O20 109.38(15) . . ?
F47 Al2 O21 108.14(15) . . ?
F47 Al2 O22 110.32(15) . . ?
O21 Al2 O20 109.05(16) . . ?
O21 Al2 O22 110.04(16) . . ?
O22 Al2 O20 109.87(16) . . ?
F1 Al1 O18 110.04(15) . . ?
F1 Al1 O17 109.27(15) . . ?
F1 Al1 O19 110.10(15) . . ?
O18 Al1 O17 109.05(15) . . ?
O18 Al1 O19 110.01(16) . . ?
O19 Al1 O17 108.34(16) . . ?
C93 O20 Al2 135.8(3) . . ?
C69 O18 Al1 138.0(3) . . ?
C57 O17 Al1 137.6(3) . . ?
C105 O21 Al2 137.1(3) . . ?
C117 O22 Al2 139.9(3) . . ?
C81 O19 Al1 138.0(3) . . ?
O8 C23 Mo4 172.4(4) . . ?
O7 C22 Mo4 172.1(5) . . ?
O16 C51 Mo8 175.7(5) . . ?
O15 C50 Mo8 174.0(4) . . ?
C64 C63 C57 118.2(4) . . ?
C68 C63 C57 127.6(4) . . ?
C68 C63 C64 113.9(4) . . ?
O5 C15 Mo3 175.3(5) . . ?
C124 C123 C117 128.4(4) . . ?
C124 C123 C128 113.2(4) . . ?
C128 C123 C117 118.2(4) . . ?
F79 C118 C117 111.3(4) . . ?
F79 C118 C119 106.1(4) . . ?
F78 C118 F79 106.2(4) . . ?
F78 C118 C117 109.9(3) . . ?
F78 C118 C119 107.4(4) . . ?
C119 C118 C117 115.4(4) . . ?
O13 C43 Mo7 176.5(5) . . ?
O11 C36 Mo6 175.2(4) . . ?
O10 C30 Mo5 173.2(5) . . ?
O17 C57 C63 111.2(3) . . ?
O17 C57 C58 106.6(3) . . ?
O17 C57 C62 108.4(3) . . ?
C63 C57 C58 115.3(3) . . ?
C63 C57 C62 109.3(3) . . ?
C62 C57 C58 105.8(3) . . ?
F12 C64 C63 122.2(4) . . ?
F12 C64 C65 114.5(4) . . ?
C65 C64 C63 123.3(4) . . ?
O3 C8 Mo2 175.0(5) . . ?
F13 C65 C64 120.1(4) . . ?
F13 C65 C66 119.7(4) . . ?
C66 C65 C64 120.1(4) . . ?
F2 C58 C57 113.5(4) . . ?
F2 C58 C59 103.6(4) . . ?
F3 C58 F2 108.3(4) . . ?
F3 C58 C57 110.1(4) . . ?
F3 C58 C59 108.6(4) . . ?
C59 C58 C57 112.4(4) . . ?
F87 C122 F86 108.0(4) . . ?
F87 C122 C117 109.6(4) . . ?
F87 C122 C121 108.9(4) . . ?
F86 C122 C117 113.7(4) . . ?
F86 C122 C121 103.8(4) . . ?
C121 C122 C117 112.5(4) . . ?
C116 C111 C105 117.6(4) . . ?
C112 C111 C105 127.7(4) . . ?
C112 C111 C116 114.5(4) . . ?
Mo3 C17 H17 122.3 . . ?
C18 C17 Mo3 72.8(3) . . ?
C18 C17 H17 125.7 . . ?
C21 C17 Mo3 70.8(3) . . ?
C21 C17 H17 125.7 . . ?
C21 C17 C18 108.6(5) . . ?
Mo8 C56 H56 123.1 . . ?
C52 C56 Mo8 70.5(3) . . ?
C52 C56 H56 126.1 . . ?
C52 C56 C55 107.8(5) . . ?
C55 C56 Mo8 71.9(3) . . ?
C55 C56 H56 126.1 . . ?
O4 C9 Mo2 177.1(5) . . ?
F91 C127 C128 119.5(4) . . ?
F91 C127 C126 119.9(4) . . ?
C126 C127 C128 120.6(4) . . ?
Mo7 C48 H48 122.8 . . ?
C49 C48 Mo7 70.5(3) . . ?
C49 C48 H48 126.2 . . ?
C49 C48 C47 107.7(5) . . ?
C47 C48 Mo7 72.2(3) . . ?
C47 C48 H48 126.2 . . ?
F11 C62 C57 110.9(3) . . ?
F11 C62 C61 105.7(3) . . ?
F10 C62 F11 106.9(3) . . ?
F10 C62 C57 110.2(3) . . ?
F10 C62 C61 107.9(3) . . ?
C61 C62 C57 114.9(3) . . ?
O18 C69 C70 106.6(3) . . ?
O18 C69 C75 111.5(3) . . ?
O18 C69 C74 108.0(4) . . ?
C70 C69 C75 114.8(4) . . ?
C70 C69 C74 106.1(3) . . ?
C75 C69 C74 109.5(4) . . ?
Mo4 C25 H25 119.7 . . ?
C26 C25 Mo4 74.6(3) . . ?
C26 C25 H25 125.9 . . ?
C26 C25 C24 108.2(5) . . ?
C24 C25 Mo4 71.6(3) . . ?
C24 C25 H25 125.9 . . ?
O22 C117 C123 111.5(3) . . ?
O22 C117 C118 109.1(3) . . ?
O22 C117 C122 106.0(3) . . ?
C123 C117 C118 109.3(3) . . ?
C123 C117 C122 115.0(4) . . ?
C118 C117 C122 105.7(4) . . ?
F42 C88 C87 122.2(4) . . ?
F42 C88 C89 115.4(5) . . ?
C89 C88 C87 122.4(5) . . ?
Mo8 C53 H53 119.4 . . ?
C54 C53 Mo8 72.6(3) . . ?
C54 C53 H53 126.6 . . ?
C54 C53 C52 106.8(5) . . ?
C52 C53 Mo8 73.4(3) . . ?
C52 C53 H53 126.6 . . ?
Mo4 C26 H26 122.2 . . ?
C25 C26 Mo4 69.8(3) . . ?
C25 C26 H26 126.0 . . ?
C27 C26 Mo4 73.7(3) . . ?
C27 C26 C25 108.1(5) . . ?
C27 C26 H26 126.0 . . ?
F49 C94 F48 107.3(4) . . ?
F49 C94 C95 104.9(4) . . ?
F49 C94 C93 112.4(4) . . ?
F48 C94 C95 107.1(4) . . ?
F48 C94 C93 109.9(4) . . ?
C95 C94 C93 114.8(4) . . ?
O12 C37 Mo6 173.5(5) . . ?
F16 C68 C63 122.4(4) . . ?
F16 C68 C67 113.7(4) . . ?
C67 C68 C63 123.8(4) . . ?
F81 C119 F80 107.8(4) . . ?
F81 C119 C118 110.3(4) . . ?
F81 C119 C120 108.4(4) . . ?
F80 C119 C118 108.5(4) . . ?
F80 C119 C120 108.1(4) . . ?
C118 C119 C120 113.6(4) . . ?
F18 C70 C69 112.8(4) . . ?
F18 C70 C71 103.6(3) . . ?
F17 C70 F18 108.3(4) . . ?
F17 C70 C69 110.3(3) . . ?
F17 C70 C71 108.3(4) . . ?
C69 C70 C71 113.2(4) . . ?
F32 C82 F33 107.7(4) . . ?
F32 C82 C81 109.8(4) . . ?
F32 C82 C83 108.7(4) . . ?
F33 C82 C81 114.0(4) . . ?
F33 C82 C83 103.4(4) . . ?
C81 C82 C83 112.8(4) . . ?
Mo3 C18 H18 123.1 . . ?
C17 C18 Mo3 72.1(3) . . ?
C17 C18 H18 126.1 . . ?
C19 C18 Mo3 70.4(3) . . ?
C19 C18 C17 107.8(5) . . ?
C19 C18 H18 126.1 . . ?
F89 C125 C124 119.8(4) . . ?
F89 C125 C126 119.5(4) . . ?
C126 C125 C124 120.7(4) . . ?
Mo3 C20 H20 120.4 . . ?
C21 C20 Mo3 72.6(3) . . ?
C21 C20 H20 126.2 . . ?
C19 C20 Mo3 72.7(3) . . ?
C19 C20 H20 126.2 . . ?
C19 C20 C21 107.6(5) . . ?
F88 C124 C123 122.2(4) . . ?
F88 C124 C125 114.1(4) . . ?
C125 C124 C123 123.7(4) . . ?
F92 C128 C123 121.3(4) . . ?
F92 C128 C127 115.2(4) . . ?
C127 C128 C123 123.5(4) . . ?
F90 C126 C127 121.2(4) . . ?
F90 C126 C125 120.6(4) . . ?
C127 C126 C125 118.2(4) . . ?
O21 C105 C111 111.4(3) . . ?
O21 C105 C106 108.1(4) . . ?
O21 C105 C110 107.1(4) . . ?
C111 C105 C106 109.1(4) . . ?
C110 C105 C111 115.4(4) . . ?
C110 C105 C106 105.4(3) . . ?
F50 C95 F51 108.2(4) . . ?
F50 C95 C94 109.6(4) . . ?
F50 C95 C96 109.3(4) . . ?
F51 C95 C94 108.2(4) . . ?
F51 C95 C96 108.0(4) . . ?
C96 C95 C94 113.3(4) . . ?
F77 C116 C111 122.8(4) . . ?
F77 C116 C115 114.1(4) . . ?
C115 C116 C111 123.0(5) . . ?
C76 C75 C69 117.6(4) . . ?
C80 C75 C69 127.4(4) . . ?
C80 C75 C76 114.8(4) . . ?
F57 C98 F56 108.4(4) . . ?
F57 C98 C93 109.5(4) . . ?
F57 C98 C97 107.4(4) . . ?
F56 C98 C93 113.6(4) . . ?
F56 C98 C97 103.9(4) . . ?
C93 C98 C97 113.7(4) . . ?
F4 C59 F5 106.8(4) . . ?
F4 C59 C58 112.6(4) . . ?
F4 C59 C60 108.5(4) . . ?
F5 C59 C58 107.6(4) . . ?
F5 C59 C60 108.6(4) . . ?
C60 C59 C58 112.5(4) . . ?
O9 C29 Mo5 174.2(7) . . ?
F20 C71 F19 107.0(4) . . ?
F20 C71 C70 111.7(3) . . ?
F20 C71 C72 109.3(4) . . ?
F19 C71 C70 107.9(4) . . ?
F19 C71 C72 108.6(4) . . ?
C72 C71 C70 112.1(4) . . ?
O20 C93 C94 108.6(4) . . ?
O20 C93 C98 107.7(3) . . ?
O20 C93 C99 112.2(4) . . ?
C98 C93 C94 105.5(4) . . ?
C98 C93 C99 114.6(4) . . ?
C99 C93 C94 107.9(3) . . ?
Mo5 C31 H31 120.0 . . ?
C32 C31 Mo5 73.7(4) . . ?
C32 C31 H31 126.4 . . ?
C35 C31 Mo5 71.8(4) . . ?
C35 C31 H31 126.4 . . ?
C35 C31 C32 107.2(6) . . ?
Mo8 C54 H54 120.2 . . ?
C53 C54 Mo8 71.1(3) . . ?
C53 C54 H54 125.6 . . ?
C55 C54 Mo8 74.8(3) . . ?
C55 C54 C53 108.8(5) . . ?
C55 C54 H54 125.6 . . ?
Mo4 C24 H24 119.4 . . ?
C25 C24 Mo4 71.9(3) . . ?
C25 C24 H24 126.8 . . ?
C28 C24 Mo4 73.9(3) . . ?
C28 C24 C25 106.4(5) . . ?
C28 C24 H24 126.8 . . ?
Mo4 C28 H28 121.6 . . ?
C24 C28 Mo4 70.1(3) . . ?
C24 C28 H28 125.4 . . ?
C27 C28 Mo4 74.5(3) . . ?
C27 C28 C24 109.2(5) . . ?
C27 C28 H28 125.4 . . ?
Mo7 C49 H49 120.6 . . ?
C48 C49 Mo7 74.2(3) . . ?
C48 C49 H49 125.9 . . ?
C45 C49 Mo7 71.0(3) . . ?
C45 C49 C48 108.2(5) . . ?
C45 C49 H49 125.9 . . ?
O6 C16 Mo3 176.2(5) . . ?
F27 C76 C75 121.8(4) . . ?
F27 C76 C77 116.0(5) . . ?
C77 C76 C75 122.1(5) . . ?
Mo4 C27 H27 123.3 . . ?
C26 C27 Mo4 71.5(3) . . ?
C26 C27 H27 125.9 . . ?
C28 C27 Mo4 71.0(3) . . ?
C28 C27 C26 108.1(5) . . ?
C28 C27 H27 125.9 . . ?
F64 C106 F63 106.4(4) . . ?
F64 C106 C105 112.1(4) . . ?
F64 C106 C107 106.5(4) . . ?
F63 C106 C105 109.7(4) . . ?
F63 C106 C107 107.2(4) . . ?
C107 C106 C105 114.5(4) . . ?
F25 C74 C69 109.2(4) . . ?
F25 C74 C73 106.9(4) . . ?
F26 C74 F25 107.2(4) . . ?
F26 C74 C69 111.8(4) . . ?
F26 C74 C73 106.7(4) . . ?
C73 C74 C69 114.7(4) . . ?
F73 C112 C111 122.8(4) . . ?
F73 C112 C113 114.3(5) . . ?
C111 C112 C113 122.8(5) . . ?
C100 C99 C93 128.0(4) . . ?
C100 C99 C104 113.7(4) . . ?
C104 C99 C93 117.8(4) . . ?
C88 C87 C81 117.5(4) . . ?
C92 C87 C88 114.9(4) . . ?
C92 C87 C81 127.6(4) . . ?
Mo3 C21 H21 120.5 . . ?
C17 C21 Mo3 74.1(3) . . ?
C17 C21 C20 107.8(5) . . ?
C17 C21 H21 126.1 . . ?
C20 C21 Mo3 71.2(3) . . ?
C20 C21 H21 126.1 . . ?
Mo8 C52 H52 121.0 . . ?
C56 C52 Mo8 74.6(3) . . ?
C56 C52 C53 108.4(5) . . ?
C56 C52 H52 125.8 . . ?
C53 C52 Mo8 70.4(3) . . ?
C53 C52 H52 125.8 . . ?
Mo8 C55 H55 122.5 . . ?
C56 C55 Mo8 73.0(3) . . ?
C56 C55 H55 125.9 . . ?
C54 C55 Mo8 70.3(3) . . ?
C54 C55 C56 108.1(5) . . ?
C54 C55 H55 125.9 . . ?
F74 C113 C112 119.4(5) . . ?
F74 C113 C114 119.5(5) . . ?
C114 C113 C112 121.1(5) . . ?
F9 C61 C62 108.1(3) . . ?
F9 C61 C60 108.4(4) . . ?
F8 C61 F9 107.7(3) . . ?
F8 C61 C62 109.7(3) . . ?
F8 C61 C60 108.5(4) . . ?
C60 C61 C62 114.2(4) . . ?
Mo7 C46 H46 120.2 . . ?
C45 C46 Mo7 71.2(3) . . ?
C45 C46 H46 126.0 . . ?
C47 C46 Mo7 74.5(3) . . ?
C47 C46 H46 126.0 . . ?
C47 C46 C45 108.0(5) . . ?
F75 C114 C113 121.0(5) . . ?
F75 C114 C115 120.8(5) . . ?
C113 C114 C115 118.1(4) . . ?
F14 C66 C65 120.3(5) . . ?
F14 C66 C67 120.6(4) . . ?
C67 C66 C65 119.1(4) . . ?
F30 C79 C80 119.8(5) . . ?
F30 C79 C78 120.5(5) . . ?
C78 C79 C80 119.7(5) . . ?
F59 C101 C100 119.3(5) . . ?
F59 C101 C102 120.7(5) . . ?
C102 C101 C100 119.9(5) . . ?
F31 C80 C75 122.9(4) . . ?
F31 C80 C79 113.7(5) . . ?
C79 C80 C75 123.3(5) . . ?
F21 C72 C71 109.0(4) . . ?
F21 C72 C73 108.6(4) . . ?
F22 C72 F21 107.0(4) . . ?
F22 C72 C71 109.9(4) . . ?
F22 C72 C73 108.9(4) . . ?
C73 C72 C71 113.3(4) . . ?
F40 C86 F41 107.0(4) . . ?
F40 C86 C81 111.0(4) . . ?
F40 C86 C85 106.4(4) . . ?
F41 C86 C81 109.5(4) . . ?
F41 C86 C85 107.3(4) . . ?
C85 C86 C81 115.3(4) . . ?
F46 C92 C87 122.4(4) . . ?
F46 C92 C91 114.6(5) . . ?
C87 C92 C91 122.9(5) . . ?
F58 C100 C99 122.7(4) . . ?
F58 C100 C101 113.7(5) . . ?
C101 C100 C99 123.6(5) . . ?
Mo7 C45 H45 120.0 . . ?
C49 C45 Mo7 73.2(3) . . ?
C49 C45 C46 107.8(5) . . ?
C49 C45 H45 126.1 . . ?
C46 C45 Mo7 72.5(3) . . ?
C46 C45 H45 126.1 . . ?
F29 C78 C79 120.4(6) . . ?
F29 C78 C77 120.2(6) . . ?
C77 C78 C79 119.4(5) . . ?
Mo3 C19 H19 120.2 . . ?
C18 C19 Mo3 74.3(3) . . ?
C18 C19 C20 108.1(5) . . ?
C18 C19 H19 125.9 . . ?
C20 C19 Mo3 71.3(3) . . ?
C20 C19 H19 125.9 . . ?
Mo7 C47 H47 122.8 . . ?
C48 C47 Mo7 72.6(3) . . ?
C48 C47 H47 125.8 . . ?
C46 C47 Mo7 70.4(3) . . ?
C46 C47 C48 108.3(5) . . ?
C46 C47 H47 125.8 . . ?
F6 C60 F7 108.0(4) . . ?
F6 C60 C59 108.9(4) . . ?
F6 C60 C61 109.7(4) . . ?
F7 C60 C59 109.1(4) . . ?
F7 C60 C61 109.0(4) . . ?
C61 C60 C59 112.0(4) . . ?
Mo5 C32 H32 122.1 . . ?
C31 C32 Mo5 70.8(4) . . ?
C31 C32 H32 125.5 . . ?
C33 C32 Mo5 73.3(4) . . ?
C33 C32 C31 109.0(6) . . ?
C33 C32 H32 125.5 . . ?
O19 C81 C82 105.9(3) . . ?
O19 C81 C87 112.2(4) . . ?
O19 C81 C86 108.7(4) . . ?
C82 C81 C86 105.7(4) . . ?
C87 C81 C82 115.6(4) . . ?
C87 C81 C86 108.4(3) . . ?
F69 C109 F70 107.5(4) . . ?
F69 C109 C108 108.0(4) . . ?
F69 C109 C110 112.1(4) . . ?
F70 C109 C108 108.3(4) . . ?
F70 C109 C110 108.3(4) . . ?
C108 C109 C110 112.5(4) . . ?
O14 C44 Mo7 173.9(6) . . ?
F43 C89 C88 119.0(6) . . ?
F43 C89 C90 120.7(5) . . ?
C90 C89 C88 120.3(6) . . ?
F85 C121 F84 106.8(4) . . ?
F85 C121 C122 112.4(4) . . ?
F85 C121 C120 110.3(4) . . ?
F84 C121 C122 106.4(4) . . ?
F84 C121 C120 108.1(4) . . ?
C120 C121 C122 112.5(4) . . ?
F15 C67 C68 119.8(5) . . ?
F15 C67 C66 120.3(5) . . ?
C66 C67 C68 119.8(4) . . ?
F23 C73 F24 108.0(4) . . ?
F23 C73 C74 110.0(4) . . ?
F23 C73 C72 108.7(4) . . ?
F24 C73 C74 108.1(4) . . ?
F24 C73 C72 108.4(4) . . ?
C72 C73 C74 113.6(4) . . ?
F28 C77 C76 118.5(6) . . ?
F28 C77 C78 120.9(5) . . ?
C78 C77 C76 120.6(5) . . ?
F67 C108 C109 108.5(5) . . ?
F67 C108 C107 108.9(4) . . ?
F68 C108 F67 108.1(4) . . ?
F68 C108 C109 109.7(4) . . ?
F68 C108 C107 109.4(5) . . ?
C107 C108 C109 112.1(4) . . ?
F72 C110 F71 107.8(4) . . ?
F72 C110 C105 109.9(3) . . ?
F72 C110 C109 107.3(4) . . ?
F71 C110 C105 114.0(4) . . ?
F71 C110 C109 104.4(4) . . ?
C109 C110 C105 113.1(4) . . ?
Mo5 C35 H35 120.0 . . ?
C31 C35 Mo5 72.6(3) . . ?
C31 C35 H35 126.1 . . ?
C31 C35 C34 107.9(6) . . ?
C34 C35 Mo5 73.2(4) . . ?
C34 C35 H35 126.1 . . ?
F62 C104 C99 121.6(4) . . ?
F62 C104 C103 114.9(4) . . ?
C103 C104 C99 123.3(5) . . ?
F35 C83 F34 107.5(4) . . ?
F35 C83 C82 112.8(4) . . ?
F35 C83 C84 109.4(5) . . ?
F34 C83 C82 107.2(4) . . ?
F34 C83 C84 108.4(4) . . ?
C84 C83 C82 111.3(4) . . ?
F61 C103 C104 119.8(5) . . ?
F61 C103 C102 119.5(4) . . ?
C102 C103 C104 120.6(5) . . ?
F60 C102 C101 120.2(5) . . ?
F60 C102 C103 121.0(5) . . ?
C103 C102 C101 118.8(5) . . ?
F82 C120 C119 108.3(4) . . ?
F82 C120 C121 109.5(5) . . ?
F83 C120 F82 108.1(4) . . ?
F83 C120 C119 109.3(5) . . ?
F83 C120 C121 109.1(5) . . ?
C121 C120 C119 112.5(4) . . ?
Mo6 C41 H41 122.0 . . ?
C42 C41 Mo6 70.5(3) . . ?
C42 C41 H41 125.6 . . ?
C40 C41 Mo6 73.6(3) . . ?
C40 C41 H41 125.6 . . ?
C40 C41 C42 108.8(6) . . ?
F39 C85 F38 107.6(4) . . ?
F39 C85 C86 109.0(4) . . ?
F39 C85 C84 108.3(4) . . ?
F38 C85 C86 108.7(4) . . ?
F38 C85 C84 108.5(4) . . ?
C84 C85 C86 114.5(5) . . ?
F54 C97 F55 108.3(4) . . ?
F54 C97 C98 111.9(4) . . ?
F54 C97 C96 109.4(5) . . ?
F55 C97 C98 107.3(4) . . ?
F55 C97 C96 108.2(4) . . ?
C96 C97 C98 111.6(4) . . ?
F52 C96 F53 108.1(4) . . ?
F52 C96 C95 109.8(5) . . ?
F52 C96 C97 109.6(5) . . ?
F53 C96 C95 109.0(5) . . ?
F53 C96 C97 108.5(5) . . ?
C95 C96 C97 111.9(4) . . ?
F45 C91 C92 119.2(6) . . ?
F45 C91 C90 121.1(5) . . ?
C90 C91 C92 119.7(6) . . ?
Mo2 C14 H14 120.9 . . ?
C13 C14 Mo2 74.5(4) . . ?
C13 C14 H14 126.3 . . ?
C13 C14 C10 107.5(6) . . ?
C10 C14 Mo2 70.2(3) . . ?
C10 C14 H14 126.3 . . ?
F66 C107 F65 107.6(4) . . ?
F66 C107 C106 109.6(4) . . ?
F66 C107 C108 109.6(4) . . ?
F65 C107 C106 107.8(4) . . ?
F65 C107 C108 108.4(4) . . ?
C108 C107 C106 113.6(4) . . ?
Mo6 C39 H39 119.5 . . ?
C38 C39 Mo6 71.3(3) . . ?
C38 C39 H39 125.9 . . ?
C38 C39 C40 108.2(6) . . ?
C40 C39 Mo6 75.0(3) . . ?
C40 C39 H39 125.9 . . ?
F76 C115 C116 119.7(5) . . ?
F76 C115 C114 119.9(4) . . ?
C114 C115 C116 120.4(5) . . ?
Mo5 C33 H33 122.3 . . ?
C32 C33 Mo5 71.8(3) . . ?
C32 C33 H33 126.6 . . ?
C34 C33 Mo5 71.1(4) . . ?
C34 C33 C32 106.9(6) . . ?
C34 C33 H33 126.6 . . ?
Mo6 C38 H38 120.0 . . ?
C39 C38 Mo6 72.8(3) . . ?
C39 C38 H38 125.9 . . ?
C42 C38 Mo6 73.1(3) . . ?
C42 C38 C39 108.2(5) . . ?
C42 C38 H38 125.9 . . ?
Cl1 C129 Cl2 110.8(4) . . ?
Cl1 C129 H12A 109.5 . . ?
Cl1 C129 H12B 109.5 . . ?
Cl2 C129 H12A 109.5 . . ?
Cl2 C129 H12B 109.5 . . ?
H12A C129 H12B 108.1 . . ?
F36 C84 F37 107.5(4) . . ?
F36 C84 C83 109.2(4) . . ?
F36 C84 C85 108.8(5) . . ?
F37 C84 C83 109.3(5) . . ?
F37 C84 C85 108.7(4) . . ?
C85 C84 C83 113.3(4) . . ?
F44 C90 C89 119.9(6) . . ?
F44 C90 C91 120.4(6) . . ?
C89 C90 C91 119.7(5) . . ?
Mo2 C13 H13 123.6 . . ?
C14 C13 Mo2 70.9(3) . . ?
C14 C13 H13 125.5 . . ?
C14 C13 C12 108.9(7) . . ?
C12 C13 Mo2 71.5(3) . . ?
C12 C13 H13 125.5 . . ?
Mo6 C42 H42 120.3 . . ?
C41 C42 Mo6 74.0(3) . . ?
C41 C42 H42 126.3 . . ?
C38 C42 Mo6 71.3(3) . . ?
C38 C42 C41 107.5(6) . . ?
C38 C42 H42 126.3 . . ?
Mo5 C34 H34 121.1 . . ?
C35 C34 Mo5 71.0(3) . . ?
C35 C34 H34 125.5 . . ?
C33 C34 Mo5 74.1(3) . . ?
C33 C34 C35 109.0(7) . . ?
C33 C34 H34 125.5 . . ?
Mo6 C40 H40 123.7 . . ?
C41 C40 Mo6 72.0(3) . . ?
C41 C40 C39 107.3(5) . . ?
C41 C40 H40 126.3 . . ?
C39 C40 Mo6 69.6(3) . . ?
C39 C40 H40 126.3 . . ?
Mo2 C12 H12 121.7 . . ?
C13 C12 Mo2 73.5(3) . . ?
C13 C12 H12 125.9 . . ?
C11 C12 Mo2 70.5(3) . . ?
C11 C12 C13 108.1(6) . . ?
C11 C12 H12 125.9 . . ?
Mo2 C11 H11 120.2 . . ?
C12 C11 Mo2 74.4(4) . . ?
C12 C11 H11 126.4 . . ?
C12 C11 C10 107.3(6) . . ?
C10 C11 Mo2 70.9(3) . . ?
C10 C11 H11 126.4 . . ?
Mo2 C10 H10 119.3 . . ?
C14 C10 Mo2 74.1(4) . . ?
C14 C10 C11 108.2(6) . . ?
C14 C10 H10 125.9 . . ?
C11 C10 Mo2 72.6(4) . . ?
C11 C10 H10 125.9 . . ?
Mo4 Sb2B Mo3 70.31(15) . . ?
Mo4 Sb2B Ag2B 114.7(2) . . ?
As2B Sb2B Mo4 65.3(4) . . ?
As2B Sb2B Mo3 60.0(3) . . ?
As2B Sb2B Ag2B 70.6(4) . . ?
Ag2B Sb2B Mo3 122.2(3) . . ?
Mo4 As2B Ag1 133.8(4) . . ?
Mo4 As2B Ag2B 105.0(4) . . ?
Mo3 As2B Mo4 71.8(3) . . ?
Mo3 As2B Ag1 154.3(5) . . ?
Mo3 As2B Ag2B 119.0(4) . . ?
Sb2B As2B Mo4 62.3(3) . . ?
Sb2B As2B Mo3 67.4(3) . . ?
Sb2B As2B Ag1 122.2(5) . . ?
Sb2B As2B Ag2B 59.4(3) . . ?
Ag2B As2B Ag1 62.9(3) . . ?
Mo6 As3B Ag2B 112.3(3) . . ?
Mo5 As3B Mo6 72.2(2) . . ?
Mo5 As3B Ag2B 110.3(4) . . ?
Sb3B As3B Mo6 62.0(2) . . ?
Sb3B As3B Mo5 63.3(2) . . ?
Sb3B As3B Ag2B 61.4(3) . . ?
Mo6 Sb3B Ag2B 115.5(2) . . ?
Mo5 Sb3B Mo6 70.88(17) . . ?
Mo5 Sb3B Ag2B 110.5(3) . . ?
As3B Sb3B Mo6 62.2(2) . . ?
As3B Sb3B Mo5 59.7(3) . . ?
As3B Sb3B Ag2B 65.3(3) . . ?
Mo1 C7A H7A 117.1 . . ?
C3A C7A Mo1 76.4(8) . . ?
C3A C7A H7A 126.6 . . ?
C3A C7A C6A 106.9(12) . . ?
C6A C7A Mo1 72.1(7) . . ?
C6A C7A H7A 126.6 . . ?
O1A C1A Mo1 173.8(12) . . ?
Mo1 C5A H5A 122.2 . . ?
C6A C5A Mo1 68.8(6) . . ?
C6A C5A H5A 126.0 . . ?
C6A C5A C4A 107.9(9) . . ?
C4A C5A Mo1 74.6(5) . . ?
C4A C5A H5A 126.0 . . ?
Mo1 C3A H3A 122.3 . . ?
C7A C3A Mo1 69.0(8) . . ?
C7A C3A H3A 124.2 . . ?
C4A C3A Mo1 75.9(8) . . ?
C4A C3A C7A 111.5(13) . . ?
C4A C3A H3A 124.2 . . ?
Mo1 C6A H6A 118.4 . . ?
C7A C6A Mo1 71.2(7) . . ?
C7A C6A H6A 126.7 . . ?
C5A C6A Mo1 75.8(6) . . ?
C5A C6A C7A 106.7(11) . . ?
C5A C6A H6A 126.7 . . ?
Mo1 C4A H4A 123.3 . . ?
C5A C4A Mo1 70.8(5) . . ?
C5A C4A H4A 126.5 . . ?
C3A C4A Mo1 71.0(8) . . ?
C3A C4A C5A 106.9(11) . . ?
C3A C4A H4A 126.5 . . ?
Mo1 C6B H6B 120.7 . . ?
C5B C6B Mo1 71.6(9) . . ?
C5B C6B H6B 126.1 . . ?
C5B C6B C7B 107.7(15) . . ?
C7B C6B Mo1 73.3(9) . . ?
C7B C6B H6B 126.1 . . ?
Mo1 C3B H3B 124.3 . . ?
C4B C3B Mo1 71.1(7) . . ?
C4B C3B H3B 125.8 . . ?
C7B C3B Mo1 70.5(8) . . ?
C7B C3B H3B 125.8 . . ?
C7B C3B C4B 108.5(13) . . ?
Mo1 C5B H5B 120.4 . . ?
C6B C5B Mo1 71.0(10) . . ?
C6B C5B H5B 124.9 . . ?
C4B C5B Mo1 75.3(7) . . ?
C4B C5B C6B 110.1(14) . . ?
C4B C5B H5B 124.9 . . ?
Mo1 C4B H4B 124.1 . . ?
C3B C4B Mo1 72.1(7) . . ?
C3B C4B H4B 126.1 . . ?
C5B C4B Mo1 69.3(8) . . ?
C5B C4B C3B 107.8(13) . . ?
C5B C4B H4B 126.1 . . ?
Mo1 C7B H7B 122.8 . . ?
C6B C7B Mo1 68.7(9) . . ?
C6B C7B H7B 127.1 . . ?
C3B C7B Mo1 73.1(8) . . ?
C3B C7B C6B 105.9(14) . . ?
C3B C7B H7B 127.1 . . ?
O1B C1B Mo1 170.2(12) . . ?
O2B C2B Mo1 173.5(10) . . ?
O2A C2A Mo1 174.3(11) . . ?
Mo2 As1B Ag2B 131.2(6) . . ?
Ag1 As1B Mo2 114.9(5) . . ?
Ag1 As1B Mo1 107.3(5) . . ?
Ag1 As1B Ag2B 66.4(4) . . ?
Mo1 As1B Mo2 68.0(3) . . ?
Mo1 As1B Ag2B 160.8(7) . . ?
Sb1B As1B Mo2 55.3(3) . . ?
Sb1B As1B Ag1 68.2(4) . . ?
Sb1B As1B Mo1 57.3(4) . . ?
Sb1B As1B Ag2B 129.2(7) . . ?
Mo2 Sb1B Ag1 117.8(3) . . ?
Mo2 Sb1B Mo1 76.9(2) . . ?
Mo2 Sb1B As1B 69.1(4) . . ?
Mo1 Sb1B Ag1 106.5(2) . . ?
As1B Sb1B Ag1 57.8(4) . . ?
As1B Sb1B Mo1 66.5(4) . . ?
Sb2B Ag2B Ag1 112.4(3) . . ?
Sb2B Ag2B As2B 50.0(3) . . ?
Sb2B Ag2B As3B 123.2(3) . . ?
Sb2B Ag2B Sb3B 108.3(3) . . ?
Sb2B Ag2B As1B 128.8(4) . . ?
As2B Ag2B Ag1 62.5(2) . . ?
As2B Ag2B As1B 91.4(4) . . ?
As3B Ag2B Ag1 89.5(2) . . ?
As3B Ag2B As2B 123.9(4) . . ?
As3B Ag2B As1B 105.5(4) . . ?
Sb3B Ag2B Ag1 135.9(2) . . ?
Sb3B Ag2B As2B 155.3(3) . . ?
Sb3B Ag2B As3B 53.3(2) . . ?
Sb3B Ag2B As1B 113.2(4) . . ?
As1B Ag2B Ag1 48.9(3) . . ?
Mo8 As4B Mo7 76.0(3) . . ?
Mo8 As4B Ag1 106.3(5) . . ?
Mo8 As4B Sb4B 65.9(6) . . ?
Mo7 As4B Ag1 109.7(5) . . ?
Sb4B As4B Mo7 59.7(6) . . ?
Sb4B As4B Ag1 59.1(6) . . ?
Mo8 Sb4B Ag1 106.6(6) . . ?
Mo7 Sb4B Mo8 72.6(5) . . ?
Mo7 Sb4B Ag1 119.8(7) . . ?
As4B Sb4B Mo8 55.6(4) . . ?
As4B Sb4B Mo7 61.7(5) . . ?
As4B Sb4B Ag1 69.4(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mo4 C25 C26 C27 -64.3(3) . . . . ?
Mo4 C25 C24 C28 66.4(3) . . . . ?
Mo4 C26 C27 C28 -61.9(3) . . . . ?
Mo4 C24 C28 C27 64.7(3) . . . . ?
Mo4 C28 C27 C26 62.2(3) . . . . ?
Mo3 C17 C18 C19 -61.7(3) . . . . ?
Mo3 C17 C21 C20 63.6(3) . . . . ?
Mo3 C18 C19 C20 -63.8(3) . . . . ?
Mo3 C20 C21 C17 -65.5(3) . . . . ?
Mo3 C20 C19 C18 65.7(3) . . . . ?
Mo8 C56 C52 C53 -62.7(3) . . . . ?
Mo8 C56 C55 C54 61.9(3) . . . . ?
Mo8 C53 C54 C55 -65.8(3) . . . . ?
Mo8 C53 C52 C56 65.4(3) . . . . ?
Mo8 C54 C55 C56 -63.6(3) . . . . ?
Mo6 C41 C42 C38 -63.9(4) . . . . ?
Mo6 C41 C40 C39 61.0(4) . . . . ?
Mo6 C39 C38 C42 65.0(4) . . . . ?
Mo6 C39 C40 C41 -62.5(4) . . . . ?
Mo6 C38 C42 C41 65.7(4) . . . . ?
Mo7 C48 C49 C45 -63.3(4) . . . . ?
Mo7 C48 C47 C46 61.7(4) . . . . ?
Mo7 C49 C45 C46 -64.8(4) . . . . ?
Mo7 C46 C45 C49 65.2(4) . . . . ?
Mo7 C46 C47 C48 -63.2(3) . . . . ?
Mo2 C14 C13 C12 61.8(5) . . . . ?
Mo2 C14 C10 C11 -65.1(4) . . . . ?
Mo2 C13 C12 C11 62.5(4) . . . . ?
Mo2 C12 C11 C10 63.7(4) . . . . ?
Mo2 C11 C10 C14 66.1(4) . . . . ?
Mo5 C31 C32 C33 -63.7(4) . . . . ?
Mo5 C31 C35 C34 65.2(5) . . . . ?
Mo5 C32 C33 C34 -62.8(5) . . . . ?
Mo5 C35 C34 C33 64.8(5) . . . . ?
Mo5 C33 C34 C35 -62.9(5) . . . . ?
Mo1 C7A C3A C4A -64.4(11) . . . . ?
Mo1 C7A C6A C5A 68.1(7) . . . . ?
Mo1 C5A C6A C7A -64.9(8) . . . . ?
Mo1 C5A C4A C3A 62.2(9) . . . . ?
Mo1 C3A C4A C5A -62.1(7) . . . . ?
Mo1 C6B C5B C4B 65.6(10) . . . . ?
Mo1 C6B C7B C3B -64.2(10) . . . . ?
Mo1 C3B C4B C5B -60.5(9) . . . . ?
Mo1 C3B C7B C6B 61.3(10) . . . . ?
Mo1 C5B C4B C3B 62.2(9) . . . . ?
Al2 O20 C93 C94 -154.2(3) . . . . ?
Al2 O20 C93 C98 92.0(4) . . . . ?
Al2 O20 C93 C99 -35.1(6) . . . . ?
Al2 O21 C105 C111 -40.3(6) . . . . ?
Al2 O21 C105 C106 -160.1(3) . . . . ?
Al2 O21 C105 C110 86.8(5) . . . . ?
Al2 O22 C117 C123 -33.2(6) . . . . ?
Al2 O22 C117 C118 -154.0(3) . . . . ?
Al2 O22 C117 C122 92.6(5) . . . . ?
Al1 O18 C69 C70 -88.0(5) . . . . ?
Al1 O18 C69 C75 38.0(6) . . . . ?
Al1 O18 C69 C74 158.4(3) . . . . ?
Al1 O17 C57 C63 39.9(6) . . . . ?
Al1 O17 C57 C58 -86.6(5) . . . . ?
Al1 O17 C57 C62 160.0(3) . . . . ?
Al1 O19 C81 C82 -87.6(5) . . . . ?
Al1 O19 C81 C87 39.4(6) . . . . ?
Al1 O19 C81 C86 159.2(3) . . . . ?
F47 Al2 O20 C93 36.4(4) . . . . ?
F47 Al2 O21 C105 42.0(5) . . . . ?
F47 Al2 O22 C117 39.4(5) . . . . ?
F18 C70 C71 F20 -171.5(4) . . . . ?
F18 C70 C71 F19 -54.2(4) . . . . ?
F18 C70 C71 C72 65.4(5) . . . . ?
F17 C70 C71 F20 -56.7(5) . . . . ?
F17 C70 C71 F19 60.6(4) . . . . ?
F17 C70 C71 C72 -179.8(3) . . . . ?
F11 C62 C61 F9 -66.3(4) . . . . ?
F11 C62 C61 F8 50.9(5) . . . . ?
F11 C62 C61 C60 172.9(4) . . . . ?
F10 C62 C61 F9 47.8(4) . . . . ?
F10 C62 C61 F8 165.0(3) . . . . ?
F10 C62 C61 C60 -72.9(5) . . . . ?
F12 C64 C65 F13 -0.4(6) . . . . ?
F12 C64 C65 C66 -178.0(4) . . . . ?
F9 C61 C60 F6 -44.8(5) . . . . ?
F9 C61 C60 F7 73.3(5) . . . . ?
F9 C61 C60 C59 -165.9(4) . . . . ?
F1 Al1 O18 C69 -48.7(4) . . . . ?
F1 Al1 O17 C57 -42.9(4) . . . . ?
F1 Al1 O19 C81 -45.7(4) . . . . ?
F4 C59 C60 F6 162.6(4) . . . . ?
F4 C59 C60 F7 45.0(5) . . . . ?
F4 C59 C60 C61 -75.8(5) . . . . ?
F2 C58 C59 F4 -172.7(4) . . . . ?
F2 C58 C59 F5 -55.3(5) . . . . ?
F2 C58 C59 C60 64.3(5) . . . . ?
F20 C71 C72 F21 163.0(3) . . . . ?
F20 C71 C72 F22 46.0(5) . . . . ?
F20 C71 C72 C73 -76.0(5) . . . . ?
F79 C118 C117 O22 62.2(4) . . . . ?
F79 C118 C117 C123 -59.9(4) . . . . ?
F79 C118 C117 C122 175.8(3) . . . . ?
F79 C118 C119 F81 -52.1(5) . . . . ?
F79 C118 C119 F80 65.8(5) . . . . ?
F79 C118 C119 C120 -174.0(4) . . . . ?
F87 C122 C117 O22 -63.8(4) . . . . ?
F87 C122 C117 C123 59.9(5) . . . . ?
F87 C122 C117 C118 -179.5(3) . . . . ?
F87 C122 C121 F85 55.0(5) . . . . ?
F87 C122 C121 F84 -61.5(5) . . . . ?
F87 C122 C121 C120 -179.8(4) . . . . ?
F40 C86 C81 O19 -61.7(5) . . . . ?
F40 C86 C81 C82 -175.0(4) . . . . ?
F40 C86 C81 C87 60.5(5) . . . . ?
F40 C86 C85 F39 50.0(5) . . . . ?
F40 C86 C85 F38 -67.0(5) . . . . ?
F40 C86 C85 C84 171.4(4) . . . . ?
F57 C98 C93 O20 -62.2(5) . . . . ?
F57 C98 C93 C94 -178.0(4) . . . . ?
F57 C98 C93 C99 63.5(5) . . . . ?
F57 C98 C97 F54 56.7(5) . . . . ?
F57 C98 C97 F55 -62.0(5) . . . . ?
F57 C98 C97 C96 179.7(4) . . . . ?
F3 C58 C59 F4 -57.7(5) . . . . ?
F3 C58 C59 F5 59.7(5) . . . . ?
F3 C58 C59 C60 179.3(4) . . . . ?
F62 C104 C103 F61 -1.4(6) . . . . ?
F62 C104 C103 C102 175.7(4) . . . . ?
F8 C61 C60 F6 -161.5(4) . . . . ?
F8 C61 C60 F7 -43.4(5) . . . . ?
F8 C61 C60 C59 77.4(5) . . . . ?
F91 C127 C128 F92 2.8(6) . . . . ?
F91 C127 C128 C123 -175.6(4) . . . . ?
F91 C127 C126 F90 -1.7(7) . . . . ?
F91 C127 C126 C125 177.0(4) . . . . ?
F32 C82 C81 O19 65.8(5) . . . . ?
F32 C82 C81 C87 -59.1(5) . . . . ?
F32 C82 C81 C86 -178.9(4) . . . . ?
F32 C82 C83 F35 -57.9(5) . . . . ?
F32 C82 C83 F34 60.2(5) . . . . ?
F32 C82 C83 C84 178.6(4) . . . . ?
F77 C116 C115 F76 -0.9(7) . . . . ?
F77 C116 C115 C114 178.6(4) . . . . ?
F69 C109 C108 F67 -164.4(4) . . . . ?
F69 C109 C108 F68 -46.5(6) . . . . ?
F69 C109 C108 C107 75.3(5) . . . . ?
F69 C109 C110 F72 57.0(5) . . . . ?
F69 C109 C110 F71 171.2(4) . . . . ?
F69 C109 C110 C105 -64.4(5) . . . . ?
F78 C118 C117 O22 179.6(3) . . . . ?
F78 C118 C117 C123 57.5(5) . . . . ?
F78 C118 C117 C122 -66.8(4) . . . . ?
F78 C118 C119 F81 -165.3(4) . . . . ?
F78 C118 C119 F80 -47.5(5) . . . . ?
F78 C118 C119 C120 72.8(5) . . . . ?
F86 C122 C117 O22 175.2(4) . . . . ?
F86 C122 C117 C123 -61.2(5) . . . . ?
F86 C122 C117 C118 59.5(5) . . . . ?
F86 C122 C121 F85 169.9(4) . . . . ?
F86 C122 C121 F84 53.4(5) . . . . ?
F86 C122 C121 C120 -64.9(5) . . . . ?
F64 C106 C107 F66 -53.9(5) . . . . ?
F64 C106 C107 F65 62.9(5) . . . . ?
F64 C106 C107 C108 -176.9(4) . . . . ?
F42 C88 C87 C92 179.1(4) . . . . ?
F42 C88 C87 C81 1.1(6) . . . . ?
F42 C88 C89 F43 -4.3(7) . . . . ?
F42 C88 C89 C90 177.0(4) . . . . ?
F33 C82 C81 O19 -173.2(4) . . . . ?
F33 C82 C81 C87 61.9(5) . . . . ?
F33 C82 C81 C86 -57.9(5) . . . . ?
F33 C82 C83 F35 -172.2(4) . . . . ?
F33 C82 C83 F34 -54.1(5) . . . . ?
F33 C82 C83 C84 64.3(5) . . . . ?
F13 C65 C66 F14 2.5(8) . . . . ?
F13 C65 C66 C67 -178.2(5) . . . . ?
F41 C86 C81 O19 -179.6(3) . . . . ?
F41 C86 C81 C82 67.1(5) . . . . ?
F41 C86 C81 C87 -57.4(5) . . . . ?
F41 C86 C85 F39 164.2(4) . . . . ?
F41 C86 C85 F38 47.2(5) . . . . ?
F41 C86 C85 C84 -74.4(5) . . . . ?
F63 C106 C107 F66 -167.4(4) . . . . ?
F63 C106 C107 F65 -50.6(5) . . . . ?
F63 C106 C107 C108 69.5(5) . . . . ?
F25 C74 C73 F23 167.0(4) . . . . ?
F25 C74 C73 F24 49.3(5) . . . . ?
F25 C74 C73 C72 -70.9(5) . . . . ?
F49 C94 C95 F50 -53.5(5) . . . . ?
F49 C94 C95 F51 64.3(5) . . . . ?
F49 C94 C95 C96 -175.9(4) . . . . ?
F49 C94 C93 O20 59.0(5) . . . . ?
F49 C94 C93 C98 174.2(4) . . . . ?
F49 C94 C93 C99 -62.8(5) . . . . ?
F39 C85 C84 F36 -43.2(5) . . . . ?
F39 C85 C84 F37 -160.0(4) . . . . ?
F39 C85 C84 C83 78.4(5) . . . . ?
F89 C125 C124 F88 0.9(6) . . . . ?
F89 C125 C124 C123 -179.8(4) . . . . ?
F89 C125 C126 F90 -0.4(7) . . . . ?
F89 C125 C126 C127 -179.1(4) . . . . ?
F74 C113 C114 F75 0.5(7) . . . . ?
F74 C113 C114 C115 -178.2(4) . . . . ?
F48 C94 C95 F50 -167.3(4) . . . . ?
F48 C94 C95 F51 -49.5(5) . . . . ?
F48 C94 C95 C96 70.2(5) . . . . ?
F48 C94 C93 O20 178.5(3) . . . . ?
F48 C94 C93 C98 -66.3(5) . . . . ?
F48 C94 C93 C99 56.7(5) . . . . ?
F50 C95 C96 F52 163.3(4) . . . . ?
F50 C95 C96 F53 45.1(6) . . . . ?
F50 C95 C96 C97 -74.8(5) . . . . ?
F56 C98 C93 O20 176.6(4) . . . . ?
F56 C98 C93 C94 60.8(5) . . . . ?
F56 C98 C93 C99 -57.8(5) . . . . ?
F56 C98 C97 F54 171.5(4) . . . . ?
F56 C98 C97 F55 52.8(5) . . . . ?
F56 C98 C97 C96 -65.6(5) . . . . ?
F27 C76 C77 F28 0.3(7) . . . . ?
F27 C76 C77 C78 -177.9(5) . . . . ?
F21 C72 C73 F23 -161.4(4) . . . . ?
F21 C72 C73 F24 -44.2(5) . . . . ?
F21 C72 C73 C74 75.9(5) . . . . ?
F22 C72 C73 F23 -45.2(5) . . . . ?
F22 C72 C73 F24 71.9(5) . . . . ?
F22 C72 C73 C74 -168.0(4) . . . . ?
F35 C83 C84 F36 44.5(5) . . . . ?
F35 C83 C84 F37 161.8(4) . . . . ?
F35 C83 C84 C85 -76.9(5) . . . . ?
F5 C59 C60 F6 46.9(5) . . . . ?
F5 C59 C60 F7 -70.7(5) . . . . ?
F5 C59 C60 C61 168.4(4) . . . . ?
F73 C112 C113 F74 1.9(6) . . . . ?
F73 C112 C113 C114 -177.7(4) . . . . ?
F81 C119 C120 F82 161.1(4) . . . . ?
F81 C119 C120 F83 43.5(5) . . . . ?
F81 C119 C120 C121 -77.7(5) . . . . ?
F59 C101 C100 F58 -0.1(7) . . . . ?
F59 C101 C100 C99 179.0(4) . . . . ?
F59 C101 C102 F60 1.4(8) . . . . ?
F59 C101 C102 C103 -177.9(5) . . . . ?
F46 C92 C91 F45 -2.6(7) . . . . ?
F46 C92 C91 C90 175.5(5) . . . . ?
F26 C74 C73 F23 52.6(5) . . . . ?
F26 C74 C73 F24 -65.1(5) . . . . ?
F26 C74 C73 C72 174.6(4) . . . . ?
F61 C103 C102 F60 -2.0(7) . . . . ?
F61 C103 C102 C101 177.2(4) . . . . ?
F51 C95 C96 F52 45.7(6) . . . . ?
F51 C95 C96 F53 -72.5(6) . . . . ?
F51 C95 C96 C97 167.6(4) . . . . ?
F16 C68 C67 F15 -0.8(7) . . . . ?
F16 C68 C67 C66 178.6(5) . . . . ?
O20 Al2 O21 C105 160.8(4) . . . . ?
O20 Al2 O22 C117 -81.3(4) . . . . ?
O20 C93 C99 C100 125.2(5) . . . . ?
O20 C93 C99 C104 -46.2(5) . . . . ?
F67 C108 C107 F66 163.2(4) . . . . ?
F67 C108 C107 F65 46.1(5) . . . . ?
F67 C108 C107 C106 -73.7(5) . . . . ?
F85 C121 C120 F82 -162.5(4) . . . . ?
F85 C121 C120 F83 -44.4(6) . . . . ?
F85 C121 C120 C119 76.9(5) . . . . ?
F34 C83 C84 F36 -72.4(5) . . . . ?
F34 C83 C84 F37 44.9(5) . . . . ?
F34 C83 C84 C85 166.2(4) . . . . ?
O18 Al1 O17 C57 -163.2(4) . . . . ?
O18 Al1 O19 C81 75.8(4) . . . . ?
O18 C69 C70 F18 -174.1(3) . . . . ?
O18 C69 C70 F17 64.7(4) . . . . ?
O18 C69 C70 C71 -56.8(5) . . . . ?
O18 C69 C75 C76 45.4(5) . . . . ?
O18 C69 C75 C80 -128.3(5) . . . . ?
O18 C69 C74 F25 179.1(3) . . . . ?
O18 C69 C74 F26 -62.4(5) . . . . ?
O18 C69 C74 C73 59.1(5) . . . . ?
F80 C119 C120 F82 44.5(5) . . . . ?
F80 C119 C120 F83 -73.1(5) . . . . ?
F80 C119 C120 C121 165.7(4) . . . . ?
O17 Al1 O18 C69 71.1(4) . . . . ?
O17 Al1 O19 C81 -165.1(4) . . . . ?
O17 C57 C58 F2 -173.9(3) . . . . ?
O17 C57 C58 F3 64.5(4) . . . . ?
O17 C57 C58 C59 -56.7(5) . . . . ?
O17 C57 C62 F11 -60.5(4) . . . . ?
O17 C57 C62 F10 -178.6(3) . . . . ?
O17 C57 C62 C61 59.3(5) . . . . ?
F54 C97 C96 F52 -164.3(4) . . . . ?
F54 C97 C96 F53 -46.5(6) . . . . ?
F54 C97 C96 C95 73.7(5) . . . . ?
O21 Al2 O20 C93 -81.7(4) . . . . ?
O21 Al2 O22 C117 158.6(4) . . . . ?
O21 C105 C106 F64 63.2(5) . . . . ?
O21 C105 C106 F63 -178.8(3) . . . . ?
O21 C105 C106 C107 -58.3(5) . . . . ?
O21 C105 C110 F72 -63.4(5) . . . . ?
O21 C105 C110 F71 175.5(3) . . . . ?
O21 C105 C110 C109 56.6(5) . . . . ?
O22 Al2 O20 C93 157.6(4) . . . . ?
O22 Al2 O21 C105 -78.6(4) . . . . ?
F19 C71 C72 F21 46.6(5) . . . . ?
F19 C71 C72 F22 -70.3(5) . . . . ?
F19 C71 C72 C73 167.6(4) . . . . ?
F84 C121 C120 F82 -46.1(5) . . . . ?
F84 C121 C120 F83 72.0(5) . . . . ?
F84 C121 C120 C119 -166.6(4) . . . . ?
O19 Al1 O18 C69 -170.2(4) . . . . ?
O19 Al1 O17 C57 77.1(4) . . . . ?
F38 C85 C84 F36 73.3(5) . . . . ?
F38 C85 C84 F37 -43.4(6) . . . . ?
F38 C85 C84 C83 -165.0(4) . . . . ?
F30 C79 C80 F31 -1.5(7) . . . . ?
F30 C79 C80 C75 -179.7(4) . . . . ?
F30 C79 C78 F29 -0.5(8) . . . . ?
F30 C79 C78 C77 179.0(5) . . . . ?
F14 C66 C67 F15 -1.7(9) . . . . ?
F14 C66 C67 C68 179.0(5) . . . . ?
F70 C109 C108 F67 -48.2(5) . . . . ?
F70 C109 C108 F68 69.7(6) . . . . ?
F70 C109 C108 C107 -168.5(4) . . . . ?
F70 C109 C110 F72 -61.5(5) . . . . ?
F70 C109 C110 F71 52.8(5) . . . . ?
F70 C109 C110 C105 177.2(4) . . . . ?
F68 C108 C107 F66 45.3(5) . . . . ?
F68 C108 C107 F65 -71.8(5) . . . . ?
F68 C108 C107 C106 168.3(4) . . . . ?
F55 C97 C96 F52 -46.4(6) . . . . ?
F55 C97 C96 F53 71.3(6) . . . . ?
F55 C97 C96 C95 -168.5(4) . . . . ?
F45 C91 C90 F44 -2.9(8) . . . . ?
F45 C91 C90 C89 176.7(5) . . . . ?
F75 C114 C115 F76 -1.1(7) . . . . ?
F75 C114 C115 C116 179.4(4) . . . . ?
F43 C89 C90 F44 5.4(8) . . . . ?
F43 C89 C90 C91 -174.2(5) . . . . ?
F29 C78 C77 F28 1.5(8) . . . . ?
F29 C78 C77 C76 179.7(5) . . . . ?
C63 C57 C58 F2 62.2(5) . . . . ?
C63 C57 C58 F3 -59.4(5) . . . . ?
C63 C57 C58 C59 179.4(4) . . . . ?
C63 C57 C62 F11 60.9(4) . . . . ?
C63 C57 C62 F10 -57.3(4) . . . . ?
C63 C57 C62 C61 -179.4(3) . . . . ?
C63 C64 C65 F13 178.7(4) . . . . ?
C63 C64 C65 C66 1.1(8) . . . . ?
C63 C68 C67 F15 -178.5(5) . . . . ?
C63 C68 C67 C66 0.8(8) . . . . ?
C118 C119 C120 F82 -76.0(5) . . . . ?
C118 C119 C120 F83 166.4(4) . . . . ?
C118 C119 C120 C121 45.2(6) . . . . ?
C57 C63 C64 F12 4.4(6) . . . . ?
C57 C63 C64 C65 -174.6(4) . . . . ?
C57 C63 C68 F16 -4.6(8) . . . . ?
C57 C63 C68 C67 173.0(5) . . . . ?
C57 C58 C59 F4 64.3(5) . . . . ?
C57 C58 C59 F5 -178.3(4) . . . . ?
C57 C58 C59 C60 -58.7(5) . . . . ?
C57 C62 C61 F9 171.2(3) . . . . ?
C57 C62 C61 F8 -71.6(5) . . . . ?
C57 C62 C61 C60 50.4(5) . . . . ?
C64 C63 C57 O17 44.4(5) . . . . ?
C64 C63 C57 C58 165.9(4) . . . . ?
C64 C63 C57 C62 -75.2(5) . . . . ?
C64 C63 C68 F16 -177.9(4) . . . . ?
C64 C63 C68 C67 -0.3(7) . . . . ?
C64 C65 C66 F14 -179.9(5) . . . . ?
C64 C65 C66 C67 -0.6(8) . . . . ?
C65 C66 C67 F15 179.0(5) . . . . ?
C65 C66 C67 C68 -0.3(8) . . . . ?
C58 C57 C62 F11 -174.5(3) . . . . ?
C58 C57 C62 F10 67.3(4) . . . . ?
C58 C57 C62 C61 -54.8(4) . . . . ?
C58 C59 C60 F6 -72.1(5) . . . . ?
C58 C59 C60 F7 170.3(4) . . . . ?
C58 C59 C60 C61 49.5(5) . . . . ?
C122 C121 C120 F82 71.1(5) . . . . ?
C122 C121 C120 F83 -170.8(4) . . . . ?
C122 C121 C120 C119 -49.5(6) . . . . ?
C111 C105 C106 F64 -58.1(5) . . . . ?
C111 C105 C106 F63 59.9(5) . . . . ?
C111 C105 C106 C107 -179.6(4) . . . . ?
C111 C105 C110 F72 61.3(5) . . . . ?
C111 C105 C110 F71 -59.8(5) . . . . ?
C111 C105 C110 C109 -178.8(4) . . . . ?
C111 C116 C115 F76 -178.8(4) . . . . ?
C111 C116 C115 C114 0.7(7) . . . . ?
C111 C112 C113 F74 -180.0(4) . . . . ?
C111 C112 C113 C114 0.4(7) . . . . ?
C17 C18 C19 Mo3 62.8(3) . . . . ?
C17 C18 C19 C20 -1.0(5) . . . . ?
C48 C49 C45 Mo7 65.4(3) . . . . ?
C48 C49 C45 C46 0.6(6) . . . . ?
C62 C57 C58 F2 -58.7(4) . . . . ?
C62 C57 C58 F3 179.8(3) . . . . ?
C62 C57 C58 C59 58.6(5) . . . . ?
C62 C61 C60 F6 75.8(5) . . . . ?
C62 C61 C60 F7 -166.1(4) . . . . ?
C62 C61 C60 C59 -45.3(5) . . . . ?
C69 C70 C71 F20 65.9(5) . . . . ?
C69 C70 C71 F19 -176.8(3) . . . . ?
C69 C70 C71 C72 -57.2(5) . . . . ?
C69 C75 C76 F27 2.8(7) . . . . ?
C69 C75 C76 C77 -175.4(4) . . . . ?
C69 C75 C80 F31 -3.2(7) . . . . ?
C69 C75 C80 C79 174.7(4) . . . . ?
C69 C74 C73 F23 -71.8(5) . . . . ?
C69 C74 C73 F24 170.6(4) . . . . ?
C69 C74 C73 C72 50.3(5) . . . . ?
C25 C26 C27 Mo4 61.8(3) . . . . ?
C25 C26 C27 C28 -0.1(5) . . . . ?
C25 C24 C28 Mo4 -65.0(3) . . . . ?
C25 C24 C28 C27 -0.3(5) . . . . ?
C117 C123 C124 F88 4.1(7) . . . . ?
C117 C123 C124 C125 -175.2(4) . . . . ?
C117 C123 C128 F92 -4.9(6) . . . . ?
C117 C123 C128 C127 173.5(4) . . . . ?
C117 C118 C119 F81 71.7(5) . . . . ?
C117 C118 C119 F80 -170.4(4) . . . . ?
C117 C118 C119 C120 -50.2(5) . . . . ?
C117 C122 C121 F85 -66.7(6) . . . . ?
C117 C122 C121 F84 176.8(4) . . . . ?
C117 C122 C121 C120 58.5(5) . . . . ?
C88 C87 C92 F46 -174.8(4) . . . . ?
C88 C87 C92 C91 3.1(7) . . . . ?
C88 C87 C81 O19 43.5(6) . . . . ?
C88 C87 C81 C82 165.1(4) . . . . ?
C88 C87 C81 C86 -76.5(5) . . . . ?
C88 C89 C90 F44 -176.0(5) . . . . ?
C88 C89 C90 C91 4.4(8) . . . . ?
C53 C54 C55 Mo8 63.5(3) . . . . ?
C53 C54 C55 C56 -0.1(5) . . . . ?
C26 C25 C24 Mo4 -66.2(3) . . . . ?
C26 C25 C24 C28 0.2(5) . . . . ?
C94 C95 C96 F52 -74.1(5) . . . . ?
C94 C95 C96 F53 167.7(4) . . . . ?
C94 C95 C96 C97 47.8(6) . . . . ?
C94 C93 C99 C100 -115.2(5) . . . . ?
C94 C93 C99 C104 73.4(5) . . . . ?
C68 C63 C57 O17 -128.7(5) . . . . ?
C68 C63 C57 C58 -7.2(7) . . . . ?
C68 C63 C57 C62 111.7(5) . . . . ?
C68 C63 C64 F12 178.4(4) . . . . ?
C68 C63 C64 C65 -0.6(7) . . . . ?
C119 C118 C117 O22 -58.8(5) . . . . ?
C119 C118 C117 C123 179.1(4) . . . . ?
C119 C118 C117 C122 54.8(5) . . . . ?
C70 C69 C75 C76 166.8(4) . . . . ?
C70 C69 C75 C80 -6.9(6) . . . . ?
C70 C69 C74 F25 65.1(4) . . . . ?
C70 C69 C74 F26 -176.4(4) . . . . ?
C70 C69 C74 C73 -54.8(5) . . . . ?
C70 C71 C72 F21 -72.5(5) . . . . ?
C70 C71 C72 F22 170.5(4) . . . . ?
C70 C71 C72 C73 48.5(5) . . . . ?
C82 C83 C84 F36 169.9(4) . . . . ?
C82 C83 C84 F37 -72.8(5) . . . . ?
C82 C83 C84 C85 48.5(6) . . . . ?
C18 C17 C21 Mo3 -63.4(3) . . . . ?
C18 C17 C21 C20 0.2(5) . . . . ?
C124 C123 C117 O22 130.3(5) . . . . ?
C124 C123 C117 C118 -109.1(5) . . . . ?
C124 C123 C117 C122 9.6(7) . . . . ?
C124 C123 C128 F92 179.9(4) . . . . ?
C124 C123 C128 C127 -1.8(7) . . . . ?
C124 C125 C126 F90 178.0(4) . . . . ?
C124 C125 C126 C127 -0.7(7) . . . . ?
C128 C123 C117 O22 -44.1(5) . . . . ?
C128 C123 C117 C118 76.6(5) . . . . ?
C128 C123 C117 C122 -164.8(4) . . . . ?
C128 C123 C124 F88 178.7(4) . . . . ?
C128 C123 C124 C125 -0.6(7) . . . . ?
C128 C127 C126 F90 179.8(4) . . . . ?
C128 C127 C126 C125 -1.5(7) . . . . ?
C126 C127 C128 F92 -178.7(4) . . . . ?
C126 C127 C128 C123 2.9(7) . . . . ?
C126 C125 C124 F88 -177.5(4) . . . . ?
C126 C125 C124 C123 1.8(7) . . . . ?
C105 C111 C116 F77 -2.1(6) . . . . ?
C105 C111 C116 C115 175.6(4) . . . . ?
C105 C111 C112 F73 2.5(7) . . . . ?
C105 C111 C112 C113 -175.5(4) . . . . ?
C105 C106 C107 F66 70.6(5) . . . . ?
C105 C106 C107 F65 -172.5(4) . . . . ?
C105 C106 C107 C108 -52.4(6) . . . . ?
C95 C94 C93 O20 -60.7(5) . . . . ?
C95 C94 C93 C98 54.5(5) . . . . ?
C95 C94 C93 C99 177.4(4) . . . . ?
C116 C111 C105 O21 -45.8(5) . . . . ?
C116 C111 C105 C106 73.4(5) . . . . ?
C116 C111 C105 C110 -168.2(4) . . . . ?
C116 C111 C112 F73 176.4(4) . . . . ?
C116 C111 C112 C113 -1.6(6) . . . . ?
C75 C69 C70 F18 61.9(5) . . . . ?
C75 C69 C70 F17 -59.4(5) . . . . ?
C75 C69 C70 C71 179.2(4) . . . . ?
C75 C69 C74 F25 -59.3(5) . . . . ?
C75 C69 C74 F26 59.2(5) . . . . ?
C75 C69 C74 C73 -179.2(4) . . . . ?
C75 C76 C77 F28 178.7(5) . . . . ?
C75 C76 C77 C78 0.4(8) . . . . ?
C98 C93 C99 C100 2.0(7) . . . . ?
C98 C93 C99 C104 -169.5(4) . . . . ?
C98 C97 C96 F52 71.4(5) . . . . ?
C98 C97 C96 F53 -170.9(4) . . . . ?
C98 C97 C96 C95 -50.6(6) . . . . ?
C71 C72 C73 F23 77.4(5) . . . . ?
C71 C72 C73 F24 -165.5(4) . . . . ?
C71 C72 C73 C74 -45.4(5) . . . . ?
C93 C94 C95 F50 70.3(5) . . . . ?
C93 C94 C95 F51 -171.8(4) . . . . ?
C93 C94 C95 C96 -52.1(6) . . . . ?
C93 C98 C97 F54 -64.5(5) . . . . ?
C93 C98 C97 F55 176.8(4) . . . . ?
C93 C98 C97 C96 58.4(6) . . . . ?
C93 C99 C100 F58 5.2(7) . . . . ?
C93 C99 C100 C101 -173.8(4) . . . . ?
C93 C99 C104 F62 -1.9(6) . . . . ?
C93 C99 C104 C103 174.3(4) . . . . ?
C31 C32 C33 Mo5 62.2(4) . . . . ?
C31 C32 C33 C34 -0.7(7) . . . . ?
C31 C35 C34 Mo5 -64.8(5) . . . . ?
C31 C35 C34 C33 0.0(8) . . . . ?
C54 C53 C52 Mo8 -65.4(3) . . . . ?
C54 C53 C52 C56 0.0(6) . . . . ?
C24 C25 C26 Mo4 64.2(3) . . . . ?
C24 C25 C26 C27 -0.1(5) . . . . ?
C24 C28 C27 Mo4 -62.0(3) . . . . ?
C24 C28 C27 C26 0.2(5) . . . . ?
C49 C48 C47 Mo7 -61.9(3) . . . . ?
C49 C48 C47 C46 -0.2(6) . . . . ?
C76 C75 C80 F31 -177.0(4) . . . . ?
C76 C75 C80 C79 0.9(7) . . . . ?
C106 C105 C110 F72 -178.3(4) . . . . ?
C106 C105 C110 F71 60.6(5) . . . . ?
C106 C105 C110 C109 -58.4(5) . . . . ?
C74 C69 C70 F18 -59.2(5) . . . . ?
C74 C69 C70 F17 179.5(3) . . . . ?
C74 C69 C70 C71 58.1(5) . . . . ?
C74 C69 C75 C76 -74.1(5) . . . . ?
C74 C69 C75 C80 112.3(5) . . . . ?
C112 C111 C105 O21 127.9(5) . . . . ?
C112 C111 C105 C106 -112.9(5) . . . . ?
C112 C111 C105 C110 5.5(6) . . . . ?
C112 C111 C116 F77 -176.7(4) . . . . ?
C112 C111 C116 C115 1.1(7) . . . . ?
C112 C113 C114 F75 -180.0(4) . . . . ?
C112 C113 C114 C115 1.4(7) . . . . ?
C99 C104 C103 F61 -177.9(4) . . . . ?
C99 C104 C103 C102 -0.8(7) . . . . ?
C87 C88 C89 F43 174.9(4) . . . . ?
C87 C88 C89 C90 -3.7(8) . . . . ?
C87 C92 C91 F45 179.4(5) . . . . ?
C87 C92 C91 C90 -2.5(8) . . . . ?
C21 C17 C18 Mo3 62.2(3) . . . . ?
C21 C17 C18 C19 0.5(5) . . . . ?
C21 C20 C19 Mo3 -64.6(3) . . . . ?
C21 C20 C19 C18 1.1(6) . . . . ?
C52 C56 C55 Mo8 -61.8(3) . . . . ?
C52 C56 C55 C54 0.1(5) . . . . ?
C52 C53 C54 Mo8 65.9(3) . . . . ?
C52 C53 C54 C55 0.1(6) . . . . ?
C55 C56 C52 Mo8 62.6(3) . . . . ?
C55 C56 C52 C53 -0.1(5) . . . . ?
C113 C114 C115 F76 177.6(4) . . . . ?
C113 C114 C115 C116 -1.9(7) . . . . ?
C79 C78 C77 F28 -177.9(5) . . . . ?
C79 C78 C77 C76 0.3(8) . . . . ?
C80 C75 C76 F27 177.3(4) . . . . ?
C80 C75 C76 C77 -1.0(7) . . . . ?
C80 C79 C78 F29 -179.8(5) . . . . ?
C80 C79 C78 C77 -0.3(8) . . . . ?
C86 C85 C84 F36 -165.1(4) . . . . ?
C86 C85 C84 F37 78.2(5) . . . . ?
C86 C85 C84 C83 -43.4(6) . . . . ?
C92 C87 C81 O19 -134.2(5) . . . . ?
C92 C87 C81 C82 -12.6(7) . . . . ?
C92 C87 C81 C86 105.8(5) . . . . ?
C92 C91 C90 F44 179.0(5) . . . . ?
C92 C91 C90 C89 -1.4(8) . . . . ?
C100 C99 C104 F62 -174.5(4) . . . . ?
C100 C99 C104 C103 1.7(7) . . . . ?
C100 C101 C102 F60 178.7(5) . . . . ?
C100 C101 C102 C103 -0.6(7) . . . . ?
C45 C46 C47 Mo7 63.7(4) . . . . ?
C45 C46 C47 C48 0.6(6) . . . . ?
C78 C79 C80 F31 177.8(4) . . . . ?
C78 C79 C80 C75 -0.3(8) . . . . ?
C19 C20 C21 Mo3 64.7(3) . . . . ?
C19 C20 C21 C17 -0.8(5) . . . . ?
C47 C48 C49 Mo7 63.1(3) . . . . ?
C47 C48 C49 C45 -0.3(6) . . . . ?
C47 C46 C45 Mo7 -65.9(4) . . . . ?
C47 C46 C45 C49 -0.7(6) . . . . ?
C32 C31 C35 Mo5 -65.7(4) . . . . ?
C32 C31 C35 C34 -0.4(8) . . . . ?
C32 C33 C34 Mo5 63.3(4) . . . . ?
C32 C33 C34 C35 0.4(8) . . . . ?
C81 C82 C83 F35 64.2(6) . . . . ?
C81 C82 C83 F34 -177.7(4) . . . . ?
C81 C82 C83 C84 -59.3(5) . . . . ?
C81 C87 C92 F46 3.0(7) . . . . ?
C81 C87 C92 C91 -179.1(5) . . . . ?
C81 C86 C85 F39 -73.6(5) . . . . ?
C81 C86 C85 F38 169.4(4) . . . . ?
C81 C86 C85 C84 47.9(6) . . . . ?
C109 C108 C107 F66 -76.7(5) . . . . ?
C109 C108 C107 F65 166.2(4) . . . . ?
C109 C108 C107 C106 46.4(6) . . . . ?
C89 C88 C87 C92 -0.1(7) . . . . ?
C89 C88 C87 C81 -178.0(4) . . . . ?
C121 C122 C117 O22 57.5(5) . . . . ?
C121 C122 C117 C123 -178.8(4) . . . . ?
C121 C122 C117 C118 -58.2(5) . . . . ?
C108 C109 C110 F72 178.8(4) . . . . ?
C108 C109 C110 F71 -66.9(5) . . . . ?
C108 C109 C110 C105 57.5(5) . . . . ?
C110 C105 C106 F64 177.4(4) . . . . ?
C110 C105 C106 F63 -64.6(5) . . . . ?
C110 C105 C106 C107 56.0(5) . . . . ?
C110 C109 C108 F67 71.4(5) . . . . ?
C110 C109 C108 F68 -170.7(4) . . . . ?
C110 C109 C108 C107 -48.9(6) . . . . ?
C35 C31 C32 Mo5 64.4(5) . . . . ?
C35 C31 C32 C33 0.7(7) . . . . ?
C104 C99 C100 F58 176.9(4) . . . . ?
C104 C99 C100 C101 -2.1(7) . . . . ?
C104 C103 C102 F60 -179.1(4) . . . . ?
C104 C103 C102 C101 0.2(7) . . . . ?
C83 C82 C81 O19 -55.6(5) . . . . ?
C83 C82 C81 C87 179.5(4) . . . . ?
C83 C82 C81 C86 59.6(5) . . . . ?
C102 C101 C100 F58 -177.5(4) . . . . ?
C102 C101 C100 C99 1.6(8) . . . . ?
C85 C86 C81 O19 59.4(5) . . . . ?
C85 C86 C81 C82 -54.0(5) . . . . ?
C85 C86 C81 C87 -178.4(4) . . . . ?
C97 C98 C93 O20 58.0(5) . . . . ?
C97 C98 C93 C94 -57.8(5) . . . . ?
C97 C98 C93 C99 -176.4(4) . . . . ?
C14 C13 C12 Mo2 -61.4(5) . . . . ?
C14 C13 C12 C11 1.1(7) . . . . ?
C39 C38 C42 Mo6 -64.8(4) . . . . ?
C39 C38 C42 C41 0.9(6) . . . . ?
C38 C39 C40 Mo6 64.1(4) . . . . ?
C38 C39 C40 C41 1.6(6) . . . . ?
C13 C14 C10 Mo2 65.7(5) . . . . ?
C13 C14 C10 C11 0.6(7) . . . . ?
C13 C12 C11 Mo2 -64.4(5) . . . . ?
C13 C12 C11 C10 -0.7(7) . . . . ?
C42 C41 C40 Mo6 -62.1(4) . . . . ?
C42 C41 C40 C39 -1.1(6) . . . . ?
C40 C41 C42 Mo6 64.0(4) . . . . ?
C40 C41 C42 C38 0.2(6) . . . . ?
C40 C39 C38 Mo6 -66.6(4) . . . . ?
C40 C39 C38 C42 -1.6(6) . . . . ?
C12 C11 C10 Mo2 -66.1(4) . . . . ?
C12 C11 C10 C14 0.0(7) . . . . ?
C10 C14 C13 Mo2 -62.8(4) . . . . ?
C10 C14 C13 C12 -1.0(7) . . . . ?
C7A C3A C4A Mo1 60.3(9) . . . . ?
C7A C3A C4A C5A -1.8(14) . . . . ?
C3A C7A C6A Mo1 -69.1(9) . . . . ?
C3A C7A C6A C5A -1.0(12) . . . . ?
C6A C7A C3A Mo1 66.2(8) . . . . ?
C6A C7A C3A C4A 1.7(14) . . . . ?
C6A C5A C4A Mo1 -61.1(7) . . . . ?
C6A C5A C4A C3A 1.1(12) . . . . ?
C4A C5A C6A Mo1 64.9(7) . . . . ?
C4A C5A C6A C7A -0.1(12) . . . . ?
C6B C5B C4B Mo1 -62.9(12) . . . . ?
C6B C5B C4B C3B -0.7(17) . . . . ?
C5B C6B C7B Mo1 63.8(12) . . . . ?
C5B C6B C7B C3B -0.4(17) . . . . ?
C4B C3B C7B Mo1 -61.2(9) . . . . ?
C4B C3B C7B C6B 0.0(15) . . . . ?
C7B C6B C5B Mo1 -64.9(11) . . . . ?
C7B C6B C5B C4B 0.7(18) . . . . ?
C7B C3B C4B Mo1 60.8(10) . . . . ?
C7B C3B C4B C5B 0.4(15) . . . . ?

_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 1.904
_oxdiff_exptl_absorpt_empirical_full_min 0.602
####################################################################### 
# 
# 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_132_mp_testabs
_database_code_depnum_ccdc_archive 'CCDC 2330298'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2024-03-28 deposited with the CCDC.	2024-04-04 downloaded from the CCDC.
;
_audit_creation_date             2024-03-28
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C33.12 H27.68 As2 Cu2 Mo4 N2.56 O8 Sb2, 2(Al C36 F46 O3), 0.44(C2 H3 N1), C H2 Cl2, 1.8[CH2Cl2]'
_chemical_formula_sum            
'C108.80 H34.60 Al2 As2 Cl5.60 Cu2 F92 Mo4 N3 O14 Sb2'
_chemical_formula_weight         4512.25
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 '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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   23.6343(3)
_cell_length_b                   19.0078(2)
_cell_length_c                   31.4538(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.5123(11)
_cell_angle_gamma                90
_cell_volume                     13974.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    41121
_cell_measurement_temperature    123.01(10)
_cell_measurement_theta_max      74.0650
_cell_measurement_theta_min      3.6290
_shelx_estimated_absorpt_T_max   0.555
_shelx_estimated_absorpt_T_min   0.061
_exptl_absorpt_coefficient_mu    9.523
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.013
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (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            orange
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             8654
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-10 0 -13 0.1568
1 -12 -1 0.3414
11 0 13 0.1409
-1 12 1 0.3090
8 0 -19 0.0677
-9 0 18 0.0850
-13 -2 13 0.0903
13 0 -13 0.0285
-13 0 13 0.0420
-12 1 15 0.0493
13 -2 -12 0.0664
15 1 -5 0.0610
10 -8 -9 0.2296
-5 0 -18 0.1392
9 9 -9 0.2168
3 -1 19 0.1424
11 0 -16 0.0335
13 1 -13 0.0361

_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            77578
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.554
_diffrn_reflns_theta_min         3.435
_diffrn_ambient_temperature      123.01(10)
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -23.00   0.50    5.00    --  -45.40 -37.00 -30.00  186
  2  ω     17.00 121.00   0.50    5.00    --   45.40  19.00 -90.00  208
  3  ω     36.00  72.00   0.50   20.00    --  104.50 -45.00 -90.00   72
  4  ω    103.00 176.00   0.50   20.00    --  104.50  77.00 -60.00  146
  5  ω     35.00  93.00   0.50   20.00    --  104.50 -61.00-180.00  116
  6  ω     97.00 176.00   0.50   20.00    --  104.50 125.00  60.00  158
  7  ω     35.00  93.00   0.50   20.00    --  104.50 -61.00  60.00  116
  8  ω     97.00 176.00   0.50   20.00    --  104.50 125.00  30.00  158
  9  ω    103.00 176.00   0.50   20.00    --  104.50  77.00-180.00  146
 10  ω     -5.00  30.00   0.50    5.00    --  -45.40  19.00 150.00   70
 11  ω   -115.00 -21.00   0.50    5.00    --  -45.40 -57.00  90.00  188
 12  ω    -30.00  48.00   0.50    5.00    --   45.40 -19.00 -90.00  156
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25179
_reflns_number_total             27430
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (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         1.668
_refine_diff_density_min         -1.940
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2399
_refine_ls_number_reflns         27430
_refine_ls_number_restraints     665
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0716
_refine_ls_restrained_S_all      1.103
_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)+(0.0799P)²+96.7712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.1875
_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
 Sb2-As7
 2.7 with sigma of 0.02
 Sb2C-As2C
 2.7 with sigma of 0.02
 As2B-Mo3B
 2.65 with sigma of 0.02
 C25A-C26A \\sim C26B-C25B \\sim C27A-C26A \\sim C26B-C27B \\sim C28B-C27B
\\sim C28A-C27A \\sim C24A-
 C28A \\sim C28B-C24B \\sim C24B-C25B \\sim C24A-C25A
 with sigma of 0.02
 Sb2A-As2A \\sim Sb2B-As2B
 with sigma of 0.01
 Mo4B-C22B \\sim Mo4A-C22A
 with sigma of 0.02
 O7B-C22B \\sim O7A-C22A
 with sigma of 0.02
 Sb1B-As1B \\sim Sb1A-As1A
 with sigma of 0.01
 As2B-Cu11 \\sim As2C-Cu11
 with sigma of 0.02
 Sb2B-Cu1 \\sim Sb2C-Cu1
 with sigma of 0.02
 Sb2B-Cu10 \\sim Sb2C-Cu10
 with sigma of 0.02
 C20B-Mo3B \\sim C20B-Mo3C
 with sigma of 0.02
 C19B-Mo3B \\sim C19B-Mo3C
 with sigma of 0.02
 C18B-Mo3B \\sim C18B-Mo3C
 with sigma of 0.02
 C17B-Mo3B \\sim C17B-Mo3C
 with sigma of 0.02
 C21B-Mo3B \\sim C21B-Mo3C
 with sigma of 0.02
 Mo3B-C16B \\sim Mo3C-C16B
 with sigma of 0.02
 C22B-Mo4B \\sim C22B-Mo4C
 with sigma of 0.02
 Mo4B-C25B \\sim Mo4C-C25B
 with sigma of 0.02
 Mo4B-C26B \\sim Mo4C-C26B
 with sigma of 0.02
 Mo4B-C27B \\sim Mo4C-C27B
 with sigma of 0.02
 Mo4B-C28B \\sim Mo4C-C28B
 with sigma of 0.02
 Mo4B-C24B \\sim Mo4C-C24B
 with sigma of 0.02
 As2B-Sb2B \\sim As2C-Sb2C
 with sigma of 0.04
 As2B-Cu2 \\sim As2C-Cu2
 with sigma of 0.04
 As2B-Cu1 \\sim As2C-Cu1
 with sigma of 0.04
 As2B-Mo3B \\sim As2C-Mo3C
 with sigma of 0.04
 As2B-C22B \\sim As2C-C22B
 with sigma of 0.04
 As2B-Mo4B \\sim As2C-Mo4C
 with sigma of 0.04
 As2B-C25B \\sim As2C-C25B
 with sigma of 0.04
 As2B-C26B \\sim As2C-C26B
 with sigma of 0.04
 As2B-C27B \\sim As2C-C27B
 with sigma of 0.04
 As2B-C28B \\sim As2C-C28B
 with sigma of 0.04
 As2B-C24B \\sim As2C-C24B
 with sigma of 0.04
 As2B-Cu10 \\sim As2C-Cu10
 with sigma of 0.04
 Sb2B-Cu2 \\sim Sb2C-Cu2
 with sigma of 0.04
 Sb2B-C20B \\sim Sb2C-C20B
 with sigma of 0.04
 Sb2B-C19B \\sim Sb2C-C19B
 with sigma of 0.04
 Sb2B-C18B \\sim Sb2C-C18B
 with sigma of 0.04
 Sb2B-C17B \\sim Sb2C-C17B
 with sigma of 0.04
 Sb2B-C21B \\sim Sb2C-C21B
 with sigma of 0.04
 Sb2B-Mo3B \\sim Sb2C-Mo3C
 with sigma of 0.04
 Sb2B-C16B \\sim Sb2C-C16B
 with sigma of 0.04
 Sb2B-C22B \\sim Sb2C-C22B
 with sigma of 0.04
 Sb2B-Mo4B \\sim Sb2C-Mo4C
 with sigma of 0.04
 Sb2B-C25B \\sim Sb2C-C25B
 with sigma of 0.04
 Sb2B-C26B \\sim Sb2C-C26B
 with sigma of 0.04
 Sb2B-C27B \\sim Sb2C-C27B
 with sigma of 0.04
 Sb2B-C28B \\sim Sb2C-C28B
 with sigma of 0.04
 Sb2B-C24B \\sim Sb2C-C24B
 with sigma of 0.04
 Sb2B-Cu11 \\sim Sb2C-Cu11
 with sigma of 0.04
 Cu2-Mo3B \\sim Cu2-Mo3C
 with sigma of 0.04
 Cu2-Mo4B \\sim Cu2-Mo4C
 with sigma of 0.04
 Cu1-Mo3B \\sim Cu1-Mo3C
 with sigma of 0.04
 Cu1-Mo4B \\sim Cu1-Mo4C
 with sigma of 0.04
 C20B-Mo4B \\sim C20B-Mo4C
 with sigma of 0.04
 C19B-Mo4B \\sim C19B-Mo4C
 with sigma of 0.04
 C18B-Mo4B \\sim C18B-Mo4C
 with sigma of 0.04
 C17B-Mo4B \\sim C17B-Mo4C
 with sigma of 0.04
 C21B-Mo4B \\sim C21B-Mo4C
 with sigma of 0.04
 Mo3B-C22B \\sim Mo3C-C22B
 with sigma of 0.04
 Mo3B-Mo4B \\sim Mo3C-Mo4C
 with sigma of 0.04
 Mo3B-C25B \\sim Mo3C-C25B
 with sigma of 0.04
 Mo3B-C26B \\sim Mo3C-C26B
 with sigma of 0.04
 Mo3B-C27B \\sim Mo3C-C27B
 with sigma of 0.04
 Mo3B-C28B \\sim Mo3C-C28B
 with sigma of 0.04
 Mo3B-C24B \\sim Mo3C-C24B
 with sigma of 0.04
 Mo3B-Cu10 \\sim Mo3C-Cu10
 with sigma of 0.04
 C16B-Mo4B \\sim C16B-Mo4C
 with sigma of 0.04
 Mo4B-Cu10 \\sim Mo4C-Cu10
 with sigma of 0.04
 Mo4B-Cu11 \\sim Mo4C-Cu11
 with sigma of 0.04
 Cu11-Cu10 \\sim Cu2-Cu1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C28B \\sim C28A \\sim C24B \\sim C24A \\sim C25A \\sim C25B \\sim C26A \\sim
C26B \\sim C27B \\sim C27A: within 1.9A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.9A
As2B \\sim Sb2A: within 2.9A with sigma of 0.001 and sigma for terminal atoms
of 0.01 within 2.9A
O7B \\sim O7A \\sim C22A \\sim C22B: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.9A
C22A \\sim C22B \\sim O7B \\sim O7A: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.9A
C17B \\sim C17A \\sim C18B \\sim C18A \\sim C19B \\sim C19A \\sim C20B \\sim
C20A \\sim C21B \\sim C21A: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
Mo3A \\sim Mo3B: within 1.9A with sigma of 0.01 and sigma for terminal atoms of
0.01 within 1.9A
Sb1A \\sim As1B \\sim Sb1B \\sim As1A: within 2.9A with sigma of 0.001 and
sigma for terminal atoms of 0.01 within 2.9A
C16B \\sim C16A \\sim O6A \\sim O6B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
Mo3C \\sim Mo4B \\sim Mo4A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
Mo3A \\sim Mo3B \\sim Mo4C: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
As2C \\sim As2A \\sim Sb2B \\sim Sb2C \\sim Sb2A \\sim As2B: within 3A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 3A
Cu1 \\sim Cu10 \\sim Cu11 \\sim Cu2: within 3A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 3A
As7 \\sim As1B \\sim Sb1A \\sim Sb2 \\sim Sb1B \\sim As1A: within 3A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 3A
Mo2 \\sim Mo4: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Mo3 \\sim Mo1: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(Mo3B) \\sim Ueq, Uanis(Mo3A) \\sim Ueq, Uanis(Mo4B) \\sim Ueq,
Uanis(Mo4A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.01
Uanis(C20A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Mo3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: Mo1(0.92) Mo2(0.92) Mo4A(0.59) As2B(0.33) Mo3A(0.59) As1A(0.46)
 Sb2B(0.33) Sb1A(0.46) Cu2(0.92) Cu1(0.92) O7A(0.52) C26A(0.52) H26A(0.52)
 C27A(0.52) H27A(0.52) C22A(0.52) C28A(0.52) H28A(0.52) O6A(0.58) N2A(0.56)
 C25A(0.52) H25A(0.52) C24A(0.52) H24A(0.52) C17A(0.58) H17A(0.58) C18A(0.58)
 H18A(0.58) C21A(0.58) H21A(0.58) C16A(0.58) C32A(0.56) H32A(0.56) H32B(0.56)
 H32C(0.56) As2A(0.59) Sb2A(0.59) Sb1B(0.46) As1B(0.46) C20A(0.58) H20A(0.58)
 C19A(0.58) H19A(0.58) C31A(0.56) C31B(0.44) N2B(0.44) C20B(0.42) H20B(0.42)
 C19B(0.42) H19B(0.42) C18B(0.42) H18B(0.42) C17B(0.42) H17B(0.42) C21B(0.42)
 H21B(0.42) Mo3B(0.33) C16B(0.42) O6B(0.42) Cl2A(0.58) Cl1A(0.58) Cl1B(0.42)
 Cl2B(0.42) C107(0.58) H10A(0.58) H10B(0.58) C108(0.42) H10C(0.42) H10D(0.42)
 C32B(0.44) H32D(0.44) H32E(0.44) H32F(0.44) C22B(0.48) O7B(0.48) Mo4B(0.33)
 C25B(0.48) H25B(0.48) C26B(0.48) H26B(0.48) C27B(0.48) H27B(0.48) C28B(0.48)
 H28B(0.48) C24B(0.48) H24B(0.48) Cu10(0.08) Cu11(0.08) Mo3C(0.08) Mo4C(0.08)
 As2C(0.08) Sb2C(0.08) Sb2(0.08) Mo3(0.08) Mo4(0.08) As7(0.08)
5.a Secondary CH2 refined with riding coordinates:
 C107(H10A,H10B), C108(H10C,H10D)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C10(H10), C7(H7), C11(H11), C6(H6), C14(H14), C26A(H26A), C4(H4),
 C27A(H27A), C12(H12), C13(H13), C5(H5), C28A(H28A), C25A(H25A), C24A(H24A),
 C17A(H17A), C18A(H18A), C21A(H21A), C20A(H20A), C19A(H19A), C20B(H20B),
 C19B(H19B), C18B(H18B), C17B(H17B), C21B(H21B), C25B(H25B), C26B(H26B),
 C27B(H27B), C28B(H28B), C24B(H24B)
5.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C34(H34A,H34B,H34C), C32A(H32A,H32B,H32C), C32B(H32D,
 H32E,H32F)
;
_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 0.37234(5) -0.01874(7) 0.66570(3) 0.0299(2) Uani 0.92 1 d . U P A .
Mo2 Mo 0.39726(4) 0.10972(6) 0.61104(3) 0.03376(19) Uani 0.92 1 d . U P A .
Mo4A Mo 0.29986(8) 0.06971(12) 0.41896(8) 0.0331(4) Uani 0.59 1 d D U P A 1
As2B As 0.2896(3) -0.0730(4) 0.4599(3) 0.0418(7) Uani 0.33 1 d D U P A 2
Mo3A Mo 0.20049(7) -0.03829(9) 0.41020(5) 0.0316(4) Uani 0.59 1 d . U P A 1
As1A As 0.3977(2) -0.0268(3) 0.57676(19) 0.0347(5) Uani 0.46 1 d D U P A 1
Sb2B Sb 0.2366(3) 0.0360(3) 0.4803(2) 0.0797(16) Uani 0.33 1 d D U P A 2
Sb1A Sb 0.30575(7) 0.03366(12) 0.60318(7) 0.0372(4) Uani 0.46 1 d D U P A 1
Cu2 Cu 0.28742(5) -0.04358(5) 0.53804(3) 0.0375(3) Uani 0.92 1 d D U P A 1
Cu1 Cu 0.21535(6) 0.05592(6) 0.55216(4) 0.0443(3) Uani 0.92 1 d D U P A 1
Al1 Al 0.13526(7) 0.47686(8) 0.36294(5) 0.0189(3) Uani 1 1 d . . . . .
Al2 Al 0.08786(7) 0.00352(9) 0.79061(6) 0.0276(4) Uani 1 1 d . . . . .
F32 F 0.03152(14) 0.37913(17) 0.25382(10) 0.0268(7) Uani 1 1 d . . . . .
F25 F 0.06552(14) 0.64802(17) 0.25077(10) 0.0271(7) Uani 1 1 d . . . . .
F26 F 0.06599(14) 0.53601(15) 0.26767(10) 0.0230(6) Uani 1 1 d . . . . .
F1 F 0.08078(13) 0.47812(16) 0.39136(10) 0.0234(6) Uani 1 1 d . . . . .
F40 F 0.14858(14) 0.23472(16) 0.31336(11) 0.0270(7) Uani 1 1 d . . . . .
F37 F 0.17717(16) 0.25421(17) 0.23469(11) 0.0319(7) Uani 1 1 d . . . . .
F35 F 0.09845(16) 0.33057(19) 0.19525(11) 0.0331(8) Uani 1 1 d . . . . .
F33 F 0.06084(14) 0.27108(16) 0.25910(10) 0.0271(7) Uani 1 1 d . . . . .
F16 F 0.13488(15) 0.36905(17) 0.44277(10) 0.0281(7) Uani 1 1 d . . . . .
F23 F 0.18330(14) 0.53451(17) 0.26838(11) 0.0277(7) Uani 1 1 d . . . . .
F34 F 0.12631(16) 0.42500(16) 0.23137(11) 0.0294(7) Uani 1 1 d . . . . .
F31 F 0.11550(14) 0.61821(18) 0.41460(10) 0.0270(7) Uani 1 1 d . . . . .
F17 F 0.10938(15) 0.73668(16) 0.31015(12) 0.0309(7) Uani 1 1 d . . . . .
F27 F -0.01751(14) 0.62159(19) 0.28470(10) 0.0293(7) Uani 1 1 d . . . . .
F41 F 0.18123(14) 0.30873(17) 0.36450(10) 0.0272(7) Uani 1 1 d . . . . .
F39 F 0.22480(14) 0.39041(18) 0.30468(12) 0.0313(7) Uani 1 1 d . . . . .
F18 F 0.16027(15) 0.69964(18) 0.36922(11) 0.0309(7) Uani 1 1 d . . . . .
F24 F 0.13539(15) 0.57959(19) 0.21053(11) 0.0320(7) Uani 1 1 d . . . . .
F77 F 0.04557(15) -0.1420(2) 0.82768(11) 0.0339(8) Uani 1 1 d . . . . .
F47 F 0.02872(14) 0.00439(18) 0.81386(11) 0.0319(8) Uani 1 1 d . . . . .
F3 F 0.23767(16) 0.34433(18) 0.45527(12) 0.0353(8) Uani 1 1 d . . . . .
F36 F 0.21718(16) 0.35461(19) 0.22448(12) 0.0363(8) Uani 1 1 d . . . . .
F22 F 0.16216(17) 0.70798(19) 0.23400(12) 0.0371(8) Uani 1 1 d . . . . .
F46 F 0.00529(14) 0.43632(18) 0.31986(11) 0.0283(7) Uani 1 1 d . . . . .
F21 F 0.23880(15) 0.64343(19) 0.24655(11) 0.0323(8) Uani 1 1 d . . . . .
F63 F 0.09125(17) -0.22446(19) 0.78220(13) 0.0388(8) Uani 1 1 d . . . . .
F11 F 0.23191(15) 0.58735(18) 0.41617(11) 0.0325(7) Uani 1 1 d . . . . .
F42 F 0.09674(18) 0.22356(18) 0.37419(12) 0.0383(9) Uani 1 1 d . . . . .
F74 F -0.15260(16) -0.0965(2) 0.72209(13) 0.0423(9) Uani 1 1 d . . . . .
F73 F -0.05958(15) -0.1042(2) 0.68771(11) 0.0357(8) Uani 1 1 d . . . . .
F19 F 0.23742(14) 0.64216(19) 0.32894(11) 0.0320(7) Uani 1 1 d . . . . .
F12 F 0.20575(16) 0.59365(18) 0.49422(11) 0.0342(8) Uani 1 1 d . . . . .
F5 F 0.29280(16) 0.3610(2) 0.38989(12) 0.0397(9) Uani 1 1 d . . . . .
O10 O 0.14351(15) 0.56020(19) 0.34135(12) 0.0204(7) Uani 1 1 d . . . . .
F30 F 0.03043(16) 0.6308(2) 0.45800(11) 0.0429(10) Uani 1 1 d . . . . .
F20 F 0.21883(17) 0.74887(19) 0.30688(13) 0.0401(9) Uani 1 1 d . . . . .
F38 F 0.24789(15) 0.28053(19) 0.30331(12) 0.0348(8) Uani 1 1 d . . . . .
F15 F 0.05206(16) 0.3813(2) 0.48736(12) 0.0386(8) Uani 1 1 d . . . . .
F29 F -0.07973(16) 0.6358(2) 0.41743(12) 0.0422(9) Uani 1 1 d . . . . .
F55 F 0.22936(16) -0.0426(2) 0.79053(12) 0.0377(8) Uani 1 1 d . . . . .
F56 F 0.16978(16) -0.1282(2) 0.83951(12) 0.0373(8) Uani 1 1 d . . . . .
F76 F -0.04938(18) -0.1375(3) 0.85970(13) 0.0486(10) Uani 1 1 d . . . . .
O11 O 0.11970(16) 0.41824(18) 0.32031(12) 0.0203(7) Uani 1 1 d . . . . .
F92 F -0.03029(16) 0.0511(2) 0.73458(13) 0.0416(9) Uani 1 1 d . . . . .
F10 F 0.29390(16) 0.5518(2) 0.47097(12) 0.0388(9) Uani 1 1 d . . . . .
F2 F 0.28967(17) 0.4205(2) 0.49493(11) 0.0398(9) Uani 1 1 d . . . . .
F72 F 0.02979(16) -0.1401(2) 0.66257(12) 0.0422(9) Uani 1 1 d . . . . .
F9 F 0.28660(16) 0.5085(2) 0.36220(12) 0.0404(9) Uani 1 1 d . . . . .
F64 F 0.05018(16) -0.24230(19) 0.71661(14) 0.0400(9) Uani 1 1 d . . . . .
F62 F 0.08475(17) 0.0862(2) 0.88148(14) 0.0471(10) Uani 1 1 d . . . . .
F65 F 0.18564(16) -0.1750(2) 0.75751(13) 0.0386(8) Uani 1 1 d . . . . .
F28 F -0.10040(14) 0.6285(2) 0.33012(12) 0.0364(8) Uani 1 1 d . . . . .
F14 F 0.04249(18) 0.4989(2) 0.53696(12) 0.0451(10) Uani 1 1 d . . . . .
O9 O 0.19798(16) 0.4515(2) 0.39594(12) 0.0230(8) Uani 1 1 d . . . . .
F70 F 0.15600(17) -0.0502(2) 0.70264(13) 0.0454(10) Uani 1 1 d . . . . .
F53 F 0.32859(18) -0.0356(3) 0.88419(15) 0.0572(13) Uani 1 1 d . . . . .
F13 F 0.11916(19) 0.6042(2) 0.53595(12) 0.0449(10) Uani 1 1 d . . . . .
O13 O 0.09544(17) -0.0771(2) 0.76519(13) 0.0263(8) Uani 1 1 d . . . . .
F44 F -0.07102(19) 0.2987(2) 0.41974(15) 0.0521(11) Uani 1 1 d . . . . .
F66 F 0.15803(18) -0.2732(2) 0.72540(16) 0.0510(11) Uani 1 1 d . . . . .
F45 F -0.07366(16) 0.4152(2) 0.36841(14) 0.0464(10) Uani 1 1 d . . . . .
F57 F 0.23488(18) -0.1087(3) 0.89492(13) 0.0515(11) Uani 1 1 d . . . . .
F71 F 0.03820(17) -0.0326(2) 0.68699(12) 0.0405(9) Uani 1 1 d . . . . .
F49 F 0.23821(19) 0.0137(3) 0.93099(14) 0.0587(13) Uani 1 1 d . . . . .
F75 F -0.15099(17) -0.1139(3) 0.80825(15) 0.0495(11) Uani 1 1 d . . . . .
F43 F 0.0164(2) 0.2063(2) 0.42136(14) 0.0536(12) Uani 1 1 d . . . . .
F54 F 0.28058(17) -0.1240(2) 0.82633(15) 0.0479(10) Uani 1 1 d . . . . .
F52 F 0.32766(18) 0.0120(3) 0.82153(16) 0.0532(11) Uani 1 1 d . . . . .
F7 F 0.38318(17) 0.4742(3) 0.45501(16) 0.0563(12) Uani 1 1 d . . . . .
O14 O 0.08412(19) 0.0705(2) 0.75186(16) 0.0353(10) Uani 1 1 d . . . . .
F4 F 0.35051(18) 0.3441(2) 0.44972(15) 0.0521(11) Uani 1 1 d . . . . .
O12 O 0.14786(19) 0.0148(2) 0.82979(15) 0.0347(10) Uani 1 1 d . . . . .
F58 F 0.1470(2) -0.1467(3) 0.91865(14) 0.0535(11) Uani 1 1 d . . . . .
F85 F 0.19329(18) 0.1006(2) 0.74981(18) 0.0547(12) Uani 1 1 d . . . . .
F6 F 0.38209(19) 0.4415(3) 0.38845(17) 0.0600(13) Uani 1 1 d . . . . .
F48 F 0.19070(18) 0.1012(3) 0.89955(17) 0.0583(13) Uani 1 1 d . . . . .
F50 F 0.24608(18) 0.0974(2) 0.83303(17) 0.0530(11) Uani 1 1 d . . . . .
F87 F 0.13592(19) 0.1703(2) 0.8089(2) 0.0632(14) Uani 1 1 d . . . . .
F91 F -0.12306(18) 0.0651(3) 0.76948(17) 0.0591(13) Uani 1 1 d . . . . .
F8 F 0.34291(18) 0.5773(2) 0.40397(16) 0.0523(11) Uani 1 1 d . . . . .
F67 F 0.20538(18) -0.1637(3) 0.67918(16) 0.0593(13) Uani 1 1 d . . . . .
F68 F 0.1238(2) -0.2125(3) 0.65283(15) 0.0626(14) Uani 1 1 d . . . . .
F88 F 0.0444(2) 0.2578(3) 0.8086(2) 0.0759(17) Uani 1 1 d . . . . .
F51 F 0.30454(17) 0.0938(3) 0.89282(17) 0.0615(14) Uani 1 1 d . . . . .
F78 F 0.0115(2) 0.1188(3) 0.67883(17) 0.0612(13) Uani 1 1 d . . . . .
F80 F 0.1143(2) 0.0784(3) 0.66775(18) 0.0629(13) Uani 1 1 d . . . . .
F69 F 0.1162(2) -0.0775(3) 0.63849(14) 0.0653(15) Uani 1 1 d . . . . .
F79 F 0.0379(2) 0.2263(3) 0.6947(2) 0.0749(18) Uani 1 1 d . . . . .
F90 F -0.1353(2) 0.1740(3) 0.8238(2) 0.0725(16) Uani 1 1 d . . . . .
F61 F 0.00134(19) 0.0703(3) 0.92612(19) 0.0671(15) Uani 1 1 d . . . . .
F89 F -0.0493(3) 0.2694(3) 0.8414(2) 0.0786(17) Uani 1 1 d . . . . .
F84 F 0.2178(2) 0.2096(3) 0.7607(3) 0.090(2) Uani 1 1 d . . . . .
F86 F 0.1145(2) 0.2535(2) 0.7609(2) 0.0783(19) Uani 1 1 d . . . . .
F83 F 0.2043(2) 0.1534(3) 0.6748(3) 0.090(2) Uani 1 1 d . . . . .
F59 F 0.0623(2) -0.1603(3) 0.96214(16) 0.0680(14) Uani 1 1 d . . . . .
F60 F -0.0131(2) -0.0530(4) 0.9669(2) 0.0804(17) Uani 1 1 d . . . . .
F81 F 0.0916(3) 0.1767(4) 0.6344(2) 0.096(2) Uani 1 1 d . . . . .
C52 C 0.0960(2) 0.5964(3) 0.27425(17) 0.0223(11) Uani 1 1 d . . . . .
O3 O 0.3168(2) 0.1996(3) 0.6614(2) 0.0596(15) Uani 1 1 d . . . . .
O2 O 0.3276(3) -0.1712(3) 0.64249(19) 0.0621(17) Uani 1 1 d . . . . .
C58 C 0.0637(2) 0.6225(3) 0.39156(18) 0.0248(11) Uani 1 1 d . . . . .
O1 O 0.4964(3) -0.0741(3) 0.6630(2) 0.0646(16) Uani 1 1 d . . . . .
O4 O 0.3287(3) 0.1790(3) 0.52929(19) 0.071(2) Uani 1 1 d . . . . .
C61 C 0.1210(3) 0.3550(3) 0.23471(18) 0.0254(11) Uani 1 1 d . . . . .
C46 C 0.1360(3) 0.4270(3) 0.46753(18) 0.0263(11) Uani 1 1 d . . . . .
C62 C 0.1811(2) 0.3222(3) 0.2471(2) 0.0271(12) Uani 1 1 d . . . . .
C60 C 0.0784(2) 0.3385(3) 0.26626(17) 0.0214(10) Uani 1 1 d . . . . .
C66 C 0.0553(3) 0.2728(3) 0.37034(19) 0.0278(12) Uani 1 1 d . . . . .
C53 C 0.0556(2) 0.6216(3) 0.34654(17) 0.0212(10) Uani 1 1 d . . . . .
C50 C 0.1883(3) 0.6564(3) 0.25927(18) 0.0263(11) Uani 1 1 d . . . . .
C90 C -0.0537(3) -0.1134(3) 0.73096(19) 0.0290(12) Uani 1 1 d . . . . .
C51 C 0.1508(3) 0.5895(3) 0.25345(17) 0.0252(11) Uani 1 1 d . . . . .
F82 F 0.1599(2) 0.2501(3) 0.6880(3) 0.098(3) Uani 1 1 d . . . . .
N3 N 0.2541(3) -0.1351(3) 0.5528(2) 0.059(2) Uani 1 1 d . . . . .
C42 C 0.1710(3) 0.5372(3) 0.49209(18) 0.0276(12) Uani 1 1 d . . . . .
C63 C 0.2037(2) 0.3257(3) 0.2955(2) 0.0268(12) Uani 1 1 d . . . . .
C64 C 0.1580(2) 0.3043(3) 0.32317(18) 0.0251(11) Uani 1 1 d . . . . .
C59 C 0.1025(2) 0.3490(3) 0.31467(16) 0.0198(10) Uani 1 1 d . . . . .
C35 C 0.2238(2) 0.4682(3) 0.43665(18) 0.0239(11) Uani 1 1 d . . . . .
C54 C -0.0021(2) 0.6234(3) 0.32759(17) 0.0212(10) Uani 1 1 d . . . . .
C77 C 0.1233(3) -0.0280(4) 0.8981(2) 0.0431(18) Uani 1 1 d . . . . .
C48 C 0.1430(2) 0.6831(3) 0.32705(18) 0.0248(11) Uani 1 1 d . . . . .
C65 C 0.0561(2) 0.3305(3) 0.34235(17) 0.0240(11) Uani 1 1 d . . . . .
C49 C 0.1977(3) 0.6826(3) 0.30637(19) 0.0277(12) Uani 1 1 d . . . . .
C41 C 0.1789(2) 0.4784(3) 0.46696(17) 0.0246(11) Uani 1 1 d . . . . .
C45 C 0.0917(3) 0.4330(3) 0.49011(19) 0.0324(13) Uani 1 1 d . . . . .
C91 C -0.1035(3) -0.1096(3) 0.7482(2) 0.0314(13) Uani 1 1 d . . . . .
C83 C 0.0594(3) -0.1224(3) 0.74000(18) 0.0263(12) Uani 1 1 d . . . . .
C40 C 0.2640(3) 0.5318(3) 0.4324(2) 0.0306(13) Uani 1 1 d . . . . .
C70 C 0.0101(2) 0.3774(3) 0.34373(17) 0.0243(11) Uani 1 1 d . . . . .
C89 C -0.0002(2) -0.1251(3) 0.75500(18) 0.0246(11) Uani 1 1 d . . . . .
C68 C -0.0305(3) 0.3096(4) 0.3953(2) 0.0387(15) Uani 1 1 d . . . . .
C47 C 0.1079(2) 0.6127(3) 0.32340(17) 0.0202(10) Uani 1 1 d . . . . .
C84 C 0.0862(3) -0.1979(3) 0.7424(2) 0.0300(12) Uani 1 1 d . . . . .
C94 C -0.0021(3) -0.1334(3) 0.79945(19) 0.0277(12) Uani 1 1 d . . . . .
C57 C 0.0190(3) 0.6279(3) 0.41488(19) 0.0303(13) Uani 1 1 d . . . . .
C1 C 0.4512(4) -0.0536(4) 0.6626(2) 0.0438(17) Uani 1 1 d . . . . .
C8 C 0.3451(3) 0.1644(4) 0.6428(3) 0.0480(18) Uani 1 1 d . . . . .
C67 C 0.0141(3) 0.2632(3) 0.3952(2) 0.0371(15) Uani 1 1 d . . . . .
C85 C 0.1454(3) -0.2044(3) 0.7276(2) 0.0363(14) Uani 1 1 d . . . . .
C43 C 0.1258(3) 0.5442(3) 0.51455(19) 0.0336(14) Uani 1 1 d . . . . .
C56 C -0.0364(3) 0.6306(3) 0.39477(19) 0.0287(12) Uani 1 1 d . . . . .
C69 C -0.0316(3) 0.3678(3) 0.3689(2) 0.0317(13) Uani 1 1 d . . . . .
C36 C 0.2659(3) 0.4060(3) 0.45368(19) 0.0298(12) Uani 1 1 d . . . . .
C55 C -0.0465(2) 0.6275(3) 0.3505(2) 0.0281(12) Uani 1 1 d . . . . .
C74 C 0.2951(3) -0.0074(4) 0.8504(2) 0.0434(17) Uani 1 1 d . . . . .
N1 N 0.1998(4) 0.1579(4) 0.5536(2) 0.062(2) Uani 1 1 d . . . . .
C44 C 0.0860(3) 0.4920(4) 0.51476(19) 0.0340(14) Uani 1 1 d . . . . .
C2 C 0.3437(3) -0.1152(4) 0.6489(2) 0.0449(17) Uani 1 1 d . . . . .
C37 C 0.3147(3) 0.3915(4) 0.4279(2) 0.0378(15) Uani 1 1 d . . . . .
C71 C 0.1701(3) -0.0135(4) 0.8690(2) 0.0394(16) Uani 1 1 d . . . . .
C76 C 0.2053(3) -0.0793(4) 0.8587(2) 0.0382(15) Uani 1 1 d . . . . .
C92 C -0.1028(3) -0.1182(4) 0.7915(2) 0.0363(14) Uani 1 1 d . . . . .
C106 C -0.0325(3) 0.1067(4) 0.7604(3) 0.0422(16) Uani 1 1 d . . . . .
C9 C 0.3521(4) 0.1506(4) 0.5586(3) 0.055(2) Uani 1 1 d . . . . .
C93 C -0.0518(3) -0.1305(4) 0.8168(2) 0.0349(14) Uani 1 1 d . . . . .
C3 C 0.3733(3) -0.0570(4) 0.7348(2) 0.0429(17) Uani 1 1 d . . . . .
H3 H 0.383878 -0.104256 0.742015 0.052 Uiso 1 1 calc R U . A .
C29 C 0.1933(4) 0.2177(5) 0.5514(3) 0.0527(19) Uani 1 1 d . . . . .
C82 C 0.0822(3) 0.0248(4) 0.9016(2) 0.0423(17) Uani 1 1 d . . . . .
C95 C 0.0682(3) 0.1395(3) 0.7482(3) 0.0456(18) Uani 1 1 d . . . . .
C10 C 0.4688(3) 0.1708(4) 0.6530(2) 0.0440(17) Uani 1 1 d . . . . .
H10 H 0.461788 0.190719 0.679479 0.053 Uiso 1 1 calc R U . A 3
C78 C 0.1135(3) -0.0898(4) 0.9199(2) 0.0450(17) Uani 1 1 d . . . . .
C88 C 0.0605(3) -0.0977(4) 0.69318(19) 0.0345(14) Uani 1 1 d . . . . .
O5 O 0.1034(4) 0.0779(5) 0.4270(3) 0.089(2) Uani 1 1 d . . . . .
O8 O 0.4104(4) 0.0718(5) 0.4801(3) 0.096(3) Uani 1 1 d . . . . .
C7 C 0.4105(3) 0.0017(4) 0.73703(19) 0.0373(15) Uani 1 1 d . . . . .
H7 H 0.450748 0.000425 0.745808 0.045 Uiso 1 1 calc R U . A .
C102 C 0.0039(3) 0.2085(4) 0.7966(3) 0.053(2) Uani 1 1 d . . . . .
C72 C 0.2153(3) 0.0393(4) 0.8916(2) 0.0422(17) Uani 1 1 d . . . . .
C87 C 0.1209(3) -0.0971(4) 0.6798(2) 0.0432(16) Uani 1 1 d . . . . .
C105 C -0.0813(3) 0.1131(4) 0.7780(3) 0.0477(19) Uani 1 1 d . . . . .
C79 C 0.0686(4) -0.0997(5) 0.9428(3) 0.053(2) Uani 1 1 d . . . . .
C75 C 0.2515(3) -0.0636(4) 0.8305(2) 0.0382(15) Uani 1 1 d . . . . .
C73 C 0.2646(3) 0.0570(4) 0.8667(2) 0.0433(17) Uani 1 1 d . . . . .
C101 C 0.0133(3) 0.1540(4) 0.7686(3) 0.0437(17) Uani 1 1 d . . . . .
C100 C 0.1226(3) 0.1833(3) 0.7673(4) 0.054(2) Uani 1 1 d . . . . .
C11 C 0.4582(4) 0.2035(4) 0.6124(3) 0.057(2) Uani 1 1 d . . . . .
H11 H 0.443858 0.249788 0.606733 0.068 Uiso 1 1 calc R U . A 3
C33 C 0.2391(4) -0.1899(4) 0.5600(3) 0.066(3) Uani 1 1 d . . . . .
O7A O 0.3640(8) -0.0219(9) 0.3589(6) 0.073(5) Uani 0.52 1 d D U P A 1
C86 C 0.1494(3) -0.1704(5) 0.6851(2) 0.0472(19) Uani 1 1 d . . . . .
C6 C 0.3785(3) 0.0615(4) 0.7242(2) 0.0441(17) Uani 1 1 d . . . . .
H6 H 0.392843 0.108009 0.723070 0.053 Uiso 1 1 calc R U . A .
C103 C -0.0447(4) 0.2146(4) 0.8146(3) 0.058(2) Uani 1 1 d . . . . .
C81 C 0.0378(3) 0.0172(5) 0.9247(3) 0.052(2) Uani 1 1 d . . . . .
C99 C 0.1743(4) 0.1671(4) 0.7436(4) 0.066(3) Uani 1 1 d . . . . .
C14 C 0.4915(3) 0.1034(4) 0.6476(3) 0.0452(17) Uani 1 1 d . . . . .
H14 H 0.503507 0.070912 0.670103 0.054 Uiso 1 1 calc R U . A .
C38 C 0.3489(3) 0.4563(4) 0.4182(2) 0.0432(17) Uani 1 1 d . . . . .
C39 C 0.3099(3) 0.5192(4) 0.4030(2) 0.0379(15) Uani 1 1 d . . . . .
C26A C 0.2376(9) 0.1708(14) 0.4175(8) 0.050(3) Uani 0.52 1 d D U P A 1
H26A H 0.211445 0.179086 0.437158 0.059 Uiso 0.52 1 calc R U P A 1
C4 C 0.3172(3) -0.0322(5) 0.7199(2) 0.0471(18) Uani 1 1 d . . . . .
H4 H 0.283477 -0.060096 0.715313 0.057 Uiso 1 1 calc R U . A .
C27A C 0.2215(11) 0.1362(14) 0.3776(8) 0.048(3) Uani 0.52 1 d D U P A 1
H27A H 0.186474 0.114350 0.366041 0.057 Uiso 0.52 1 calc R U P A 1
C80 C 0.0302(3) -0.0454(5) 0.9457(3) 0.054(2) Uani 1 1 d . . . . .
C12 C 0.4726(4) 0.1553(6) 0.5816(3) 0.072(3) Uani 1 1 d . . . . .
H12 H 0.469020 0.163158 0.551497 0.086 Uiso 1 1 calc R U . A .
C13 C 0.4936(4) 0.0920(5) 0.6038(3) 0.058(2) Uani 1 1 d . . . . .
H13 H 0.506449 0.050579 0.591240 0.070 Uiso 1 1 calc R U . A .
C5 C 0.3201(4) 0.0405(5) 0.7131(3) 0.057(2) Uani 1 1 d . . . . .
H5 H 0.288872 0.070425 0.702826 0.068 Uiso 1 1 calc R U . A .
C22A C 0.335(2) 0.007(2) 0.3807(15) 0.068(6) Uani 0.52 1 d D U P A 1
C104 C -0.0881(4) 0.1683(4) 0.8061(3) 0.052(2) Uani 1 1 d . . . . .
C28A C 0.2730(9) 0.1438(9) 0.3601(7) 0.048(3) Uani 0.52 1 d D U P A 1
H28A H 0.275922 0.130896 0.331375 0.058 Uiso 0.52 1 calc R U P A 1
C97 C 0.1047(4) 0.1469(5) 0.6734(3) 0.062(2) Uani 1 1 d . . . . .
C98 C 0.1620(4) 0.1808(5) 0.6957(4) 0.070(3) Uani 1 1 d . . . . .
O6A O 0.1531(6) -0.1413(6) 0.4748(4) 0.067(3) Uani 0.58 1 d . U P A 1
C96 C 0.0552(3) 0.1579(4) 0.6987(3) 0.055(2) Uani 1 1 d . . . . .
N2A N 0.1497(6) -0.0131(8) 0.5521(4) 0.050(3) Uani 0.56 1 d . . P A 1
C30 C 0.1843(4) 0.2922(5) 0.5478(4) 0.067(2) Uani 1 1 d . . . . .
H30A H 0.148759 0.301717 0.528405 0.100 Uiso 1 1 calc R U . . .
H30B H 0.216488 0.314023 0.536354 0.100 Uiso 1 1 calc R U . . .
H30C H 0.181649 0.311912 0.576260 0.100 Uiso 1 1 calc R U . . .
C25A C 0.2957(8) 0.1922(10) 0.4257(6) 0.053(3) Uani 0.52 1 d D U P A 1
H25A H 0.314605 0.215132 0.450695 0.064 Uiso 0.52 1 calc R U P A 1
C24A C 0.3196(9) 0.1718(8) 0.3883(5) 0.051(3) Uani 0.52 1 d D U P A 1
H24A H 0.358237 0.176131 0.383459 0.061 Uiso 0.52 1 calc R U P A 1
C17A C 0.1501(10) -0.0299(10) 0.3420(6) 0.061(3) Uani 0.58 1 d . U P A 1
H17A H 0.125943 0.009562 0.334959 0.073 Uiso 0.58 1 calc R U P A 1
C18A C 0.1354(9) -0.0989(10) 0.3605(6) 0.063(3) Uani 0.58 1 d . U P A 1
H18A H 0.098462 -0.113432 0.365414 0.075 Uiso 0.58 1 calc R U P A 1
C21A C 0.2104(9) -0.0375(9) 0.3373(5) 0.057(3) Uani 0.58 1 d . U P A 1
H21A H 0.232575 -0.003830 0.324701 0.068 Uiso 0.58 1 calc R U P A 1
C34 C 0.2223(6) -0.2605(5) 0.5713(5) 0.106(5) Uani 1 1 d . . . . .
H34A H 0.226989 -0.293104 0.547956 0.159 Uiso 1 1 calc R U . . .
H34B H 0.182225 -0.260173 0.575933 0.159 Uiso 1 1 calc R U . . .
H34C H 0.246564 -0.275702 0.597740 0.159 Uiso 1 1 calc R U . . .
C16A C 0.1731(9) -0.1005(9) 0.4519(5) 0.061(4) Uani 0.58 1 d . U P A 1
C32A C 0.0754(11) -0.1159(13) 0.5486(6) 0.096(8) Uani 0.56 1 d . . P A 1
H32A H 0.060299 -0.126503 0.518607 0.144 Uiso 0.56 1 calc R U P A 1
H32B H 0.043857 -0.102186 0.563931 0.144 Uiso 0.56 1 calc R U P A 1
H32C H 0.094429 -0.157652 0.562291 0.144 Uiso 0.56 1 calc R U P A 1
As2A As 0.24113(16) 0.03316(13) 0.47988(10) 0.0288(5) Uani 0.59 1 d D U P A 1
Sb2A Sb 0.30390(9) -0.06549(11) 0.45544(8) 0.0428(4) Uani 0.59 1 d D U P A 1
Sb1B Sb 0.38478(11) -0.02016(18) 0.58093(11) 0.0376(5) Uani 0.46 1 d D U P A 2
As1B As 0.28834(15) 0.0399(2) 0.60973(13) 0.0378(6) Uani 0.46 1 d D U P A 2
C20A C 0.2299(9) -0.1023(8) 0.3542(5) 0.057(3) Uani 0.58 1 d . U P A 1
H20A H 0.267857 -0.119289 0.355196 0.068 Uiso 0.58 1 calc R U P A 1
C19A C 0.1861(10) -0.1384(10) 0.3693(6) 0.062(3) Uani 0.58 1 d . U P A 1
H19A H 0.189730 -0.182694 0.383440 0.074 Uiso 0.58 1 calc R U P A 1
C31A C 0.1166(8) -0.0580(8) 0.5503(5) 0.057(4) Uani 0.56 1 d . . P A 1
C31B C 0.0954(11) 0.0095(11) 0.5654(6) 0.056(5) Uani 0.44 1 d . . P B 2
N2B N 0.1409(8) 0.0240(9) 0.5634(6) 0.050(4) Uani 0.44 1 d . . P B 2
C20B C 0.2082(14) -0.1195(14) 0.3666(9) 0.060(4) Uani 0.42 1 d . U P A 2
H20B H 0.244971 -0.140883 0.370303 0.072 Uiso 0.42 1 calc R U P A 2
C19B C 0.1574(12) -0.1416(12) 0.3839(8) 0.061(4) Uani 0.42 1 d . U P A 2
H19B H 0.154148 -0.182345 0.400847 0.073 Uiso 0.42 1 calc R U P A 2
C18B C 0.1129(12) -0.0914(13) 0.3708(8) 0.060(4) Uani 0.42 1 d . U P A 2
H18B H 0.075922 -0.090337 0.379170 0.071 Uiso 0.42 1 calc R U P A 2
C17B C 0.1336(13) -0.0477(15) 0.3453(10) 0.062(4) Uani 0.42 1 d . U P A 2
H17B H 0.110975 -0.011991 0.330026 0.075 Uiso 0.42 1 calc R U P A 2
C21B C 0.1894(13) -0.0566(13) 0.3421(8) 0.059(3) Uani 0.42 1 d . U P A 2
H21B H 0.212060 -0.027456 0.326846 0.070 Uiso 0.42 1 calc R U P A 2
Mo3B Mo 0.18306(12) -0.03868(15) 0.41626(9) 0.0164(6) Uani 0.33 1 d D U P A 2
C16B C 0.1514(12) -0.0829(14) 0.4652(8) 0.062(4) Uani 0.42 1 d . U P A 2
O6B O 0.1292(8) -0.1053(9) 0.4917(5) 0.068(4) Uani 0.42 1 d . U P A 2
Cl2A Cl 0.0270(3) 0.2018(3) 0.5360(2) 0.112(2) Uani 0.58 1 d . . P C 1
Cl1A Cl -0.0037(3) 0.0560(5) 0.5584(3) 0.124(2) Uani 0.58 1 d . . P C 1
Cl1B Cl -0.0522(5) -0.1642(6) 0.4854(3) 0.122(3) Uani 0.42 1 d . . P D 2
Cl2B Cl 0.0310(4) -0.2070(4) 0.4319(2) 0.088(2) Uani 0.42 1 d . . P D 2
C107 C 0.0485(9) 0.1063(15) 0.5470(9) 0.108(9) Uani 0.58 1 d . . P C 1
H10A H 0.062972 0.086968 0.521460 0.129 Uiso 0.58 1 calc R U P C 1
H10B H 0.080294 0.104707 0.571362 0.129 Uiso 0.58 1 calc R U P C 1
C108 C 0.0177(15) -0.2085(16) 0.4850(9) 0.097(10) Uani 0.42 1 d . . P D 2
H10C H 0.048359 -0.183256 0.503898 0.116 Uiso 0.42 1 calc R U P D 2
H10D H 0.016186 -0.257560 0.495246 0.116 Uiso 0.42 1 calc R U P D 2
C32B C 0.0353(12) -0.0086(18) 0.5706(9) 0.096(9) Uani 0.44 1 d . . P B 2
H32D H 0.010151 -0.000951 0.543308 0.145 Uiso 0.44 1 calc R U P B 2
H32E H 0.022936 0.021286 0.592874 0.145 Uiso 0.44 1 calc R U P B 2
H32F H 0.033429 -0.058107 0.579009 0.145 Uiso 0.44 1 calc R U P B 2
C22B C 0.321(2) -0.002(2) 0.3835(18) 0.075(7) Uani 0.48 1 d D U P A 2
O7B O 0.3375(9) -0.0421(12) 0.3587(7) 0.081(6) Uani 0.48 1 d D U P A 2
Mo4B Mo 0.28476(14) 0.0640(2) 0.41920(14) 0.0207(7) Uani 0.33 1 d D U P A 2
C25B C 0.3092(10) 0.1822(11) 0.4176(6) 0.052(3) Uani 0.48 1 d D U P A 2
H25B H 0.337795 0.202753 0.438247 0.062 Uiso 0.48 1 calc R U P A 2
C26B C 0.2507(9) 0.1775(16) 0.4228(9) 0.051(3) Uani 0.48 1 d D U P A 2
H26B H 0.232123 0.190861 0.446375 0.061 Uiso 0.48 1 calc R U P A 2
C27B C 0.2278(12) 0.1471(15) 0.3826(9) 0.048(3) Uani 0.48 1 d D U P A 2
H27B H 0.187816 0.141543 0.373952 0.057 Uiso 0.48 1 calc R U P A 2
C28B C 0.2681(9) 0.1257(10) 0.3562(7) 0.048(3) Uani 0.48 1 d D U P A 2
H28B H 0.261920 0.099516 0.330226 0.057 Uiso 0.48 1 calc R U P A 2
C24B C 0.3203(10) 0.1530(9) 0.3783(6) 0.049(3) Uani 0.48 1 d D U P A 2
H24B H 0.356340 0.151935 0.368366 0.059 Uiso 0.48 1 calc R U P A 2
Cu10 Cu 0.2465(8) -0.0274(9) 0.5541(6) 0.073(3) Uani 0.08 1 d D U P A 3
Cu11 Cu 0.3397(9) -0.0674(11) 0.5299(7) 0.085(4) Uani 0.08 1 d D U P A 3
Mo3C Mo 0.2686(6) 0.0629(8) 0.4252(4) 0.054(3) Uani 0.08 1 d D U P A 3
Mo4C Mo 0.1649(4) -0.0409(5) 0.4244(3) 0.0277(19) Uani 0.08 1 d D U P A 3
As2C As 0.2023(7) 0.0459(9) 0.4947(5) 0.081(3) Uani 0.08 1 d D U P A 3
Sb2C Sb 0.2775(5) -0.0551(6) 0.4633(4) 0.062(2) Uani 0.08 1 d D U P A 3
Sb2 Sb 0.3637(4) -0.0070(4) 0.5875(3) 0.0415(16) Uani 0.08 1 d D U P A 3
Mo3 Mo 0.3590(7) -0.0161(10) 0.6733(5) 0.047(3) Uani 0.08 1 d . U P A 3
Mo4 Mo 0.3795(8) 0.1174(8) 0.6209(5) 0.074(4) Uani 0.08 1 d . U P A 3
As7 As 0.2646(6) 0.0468(8) 0.6240(5) 0.064(3) Uani 0.08 1 d D U P A 3
C16 C 0.3669(5) 0.0685(6) 0.4583(3) 0.066(3) Uani 1 1 d . . . . .
C15 C 0.1375(4) 0.0378(5) 0.4232(3) 0.059(2) Uani 1 1 d . . . . .


_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 As1A 2.951(6) . ?
Mo1 Sb1A 2.534(2) . ?
Mo1 C1 1.995(9) . ?
Mo1 C2 1.998(8) . ?
Mo1 C3 2.290(6) . ?
Mo1 C7 2.324(6) . ?
Mo1 C6 2.378(7) . ?
Mo1 C4 2.308(7) . ?
Mo1 C5 2.356(8) . ?
Mo1 Sb1B 2.726(3) . ?
Mo1 As1B 2.692(4) . ?
Mo1 Sb2 2.449(9) . ?
Mo2 As1A 2.811(6) . ?
Mo2 Sb1A 2.583(2) . ?
Mo2 C8 1.990(10) . ?
Mo2 C9 1.986(8) . ?
Mo2 C10 2.300(7) . ?
Mo2 C11 2.287(7) . ?
Mo2 C14 2.354(7) . ?
Mo2 C12 2.294(9) . ?
Mo2 C13 2.347(9) . ?
Mo2 Sb1B 2.645(4) . ?
Mo2 Sb2 2.435(8) . ?
Mo2 Mo4 0.58(2) . ?
Mo4A Mo3A 3.101(3) . ?
Mo4A C26A 2.42(3) . ?
Mo4A C27A 2.45(3) . ?
Mo4A C22A 1.968(14) . ?
Mo4A C28A 2.34(2) . ?
Mo4A C25A 2.34(2) . ?
Mo4A C24A 2.247(18) . ?
Mo4A As2A 2.621(4) . ?
Mo4A Sb2A 2.810(3) . ?
Mo4A C16 1.861(10) . ?
As2B Sb2B 2.552(7) . ?
As2B Mo3B 2.762(9) . ?
As2B Mo4B 2.897(8) . ?
Mo3A C17A 2.299(19) . ?
Mo3A C18A 2.329(17) . ?
Mo3A C21A 2.340(18) . ?
Mo3A C16A 1.947(18) . ?
Mo3A As2A 2.636(3) . ?
Mo3A Sb2A 2.690(3) . ?
Mo3A C20A 2.330(16) . ?
Mo3A C19A 2.293(17) . ?
Mo3A C15 2.157(11) . ?
As1A Sb1A 2.697(4) . ?
As1A Cu2 2.728(5) . ?
Sb2B Mo3B 2.630(7) . ?
Sb2B Mo4B 2.433(8) . ?
Sb1A Cu2 2.506(2) . ?
Sb1A Cu1 2.511(2) . ?
Cu2 Cu1 2.6267(18) . ?
Cu2 N3 1.993(7) . ?
Cu2 As2A 2.465(3) . ?
Cu2 Sb2A 2.716(3) . ?
Cu1 N1 1.975(8) . ?
Cu1 N2A 2.033(13) . ?
Cu1 As2A 2.477(3) . ?
Al1 F1 1.673(3) . ?
Al1 O10 1.746(4) . ?
Al1 O11 1.740(4) . ?
Al1 O9 1.747(4) . ?
Al2 F47 1.671(4) . ?
Al2 O13 1.751(4) . ?
Al2 O14 1.756(5) . ?
Al2 O12 1.749(4) . ?
F32 C60 1.361(6) . ?
F25 C52 1.368(6) . ?
F26 C52 1.349(6) . ?
F40 C64 1.368(6) . ?
F37 C62 1.349(6) . ?
F35 C61 1.358(6) . ?
F33 C60 1.356(6) . ?
F16 C46 1.346(6) . ?
F23 C51 1.340(7) . ?
F34 C61 1.342(6) . ?
F31 C58 1.329(7) . ?
F17 C48 1.350(7) . ?
F27 C54 1.345(6) . ?
F41 C64 1.337(6) . ?
F39 C63 1.342(6) . ?
F18 C48 1.365(7) . ?
F24 C51 1.359(6) . ?
F77 C94 1.338(7) . ?
F3 C36 1.353(7) . ?
F36 C62 1.338(7) . ?
F22 C50 1.352(7) . ?
F46 C70 1.343(7) . ?
F21 C50 1.336(7) . ?
F63 C84 1.339(7) . ?
F11 C40 1.355(7) . ?
F42 C66 1.346(7) . ?
F74 C91 1.342(7) . ?
F73 C90 1.358(7) . ?
F19 C49 1.334(7) . ?
F12 C42 1.347(7) . ?
F5 C37 1.360(7) . ?
O10 C47 1.373(6) . ?
F30 C57 1.344(7) . ?
F20 C49 1.355(6) . ?
F38 C63 1.346(6) . ?
F15 C45 1.351(8) . ?
F29 C56 1.334(7) . ?
F55 C75 1.348(8) . ?
F56 C76 1.334(8) . ?
F76 C93 1.350(8) . ?
O11 C59 1.381(6) . ?
F92 C106 1.338(9) . ?
F10 C40 1.365(7) . ?
F2 C36 1.364(7) . ?
F72 C88 1.377(7) . ?
F9 C39 1.336(8) . ?
F64 C84 1.375(7) . ?
F62 C82 1.333(9) . ?
F65 C85 1.355(7) . ?
F28 C55 1.339(7) . ?
F14 C44 1.331(7) . ?
O9 C35 1.372(7) . ?
F70 C87 1.351(8) . ?
F53 C74 1.340(9) . ?
F13 C43 1.345(7) . ?
O13 C83 1.376(6) . ?
F44 C68 1.329(7) . ?
F66 C85 1.346(8) . ?
F45 C69 1.341(7) . ?
F57 C76 1.366(7) . ?
F71 C88 1.349(8) . ?
F49 C72 1.366(9) . ?
F75 C92 1.324(8) . ?
F43 C67 1.353(8) . ?
F54 C75 1.355(8) . ?
F52 C74 1.327(9) . ?
F7 C38 1.355(8) . ?
O14 C95 1.364(8) . ?
F4 C37 1.351(8) . ?
O12 C71 1.375(8) . ?
F58 C78 1.344(9) . ?
F85 C99 1.346(9) . ?
F6 C38 1.338(9) . ?
F48 C72 1.352(8) . ?
F50 C73 1.329(9) . ?
F87 C100 1.324(11) . ?
F91 C105 1.341(9) . ?
F8 C39 1.349(8) . ?
F67 C86 1.368(8) . ?
F68 C86 1.362(8) . ?
F88 C102 1.351(9) . ?
F51 C73 1.351(7) . ?
F78 C96 1.349(10) . ?
F80 C97 1.339(11) . ?
F69 C87 1.339(8) . ?
F79 C96 1.363(9) . ?
F90 C104 1.325(10) . ?
F61 C81 1.332(10) . ?
F89 C103 1.354(11) . ?
F84 C99 1.354(10) . ?
F86 C100 1.360(8) . ?
F83 C98 1.377(12) . ?
F59 C79 1.322(11) . ?
F60 C80 1.311(10) . ?
F81 C97 1.345(10) . ?
C52 C51 1.541(8) . ?
C52 C47 1.561(7) . ?
O3 C8 1.163(10) . ?
O2 C2 1.138(9) . ?
C58 C53 1.401(8) . ?
C58 C57 1.377(8) . ?
O1 C1 1.134(10) . ?
O4 C9 1.137(9) . ?
C61 C62 1.548(8) . ?
C61 C60 1.545(8) . ?
C46 C41 1.411(8) . ?
C46 C45 1.355(9) . ?
C62 C63 1.538(8) . ?
C60 C59 1.557(7) . ?
C66 C65 1.409(8) . ?
C66 C67 1.350(9) . ?
C53 C54 1.405(8) . ?
C53 C47 1.534(7) . ?
C50 C51 1.545(8) . ?
C50 C49 1.547(8) . ?
C90 C91 1.370(9) . ?
C90 C89 1.391(8) . ?
F82 C98 1.338(10) . ?
N3 C33 1.134(10) . ?
N3 Cu10 2.056(19) . ?
C42 C41 1.398(8) . ?
C42 C43 1.371(9) . ?
C63 C64 1.540(8) . ?
C64 C59 1.554(7) . ?
C59 C65 1.538(8) . ?
C35 C41 1.539(8) . ?
C35 C40 1.557(8) . ?
C35 C36 1.586(8) . ?
C54 C55 1.359(8) . ?
C77 C71 1.561(11) . ?
C77 C82 1.412(10) . ?
C77 C78 1.396(12) . ?
C48 C49 1.531(8) . ?
C48 C47 1.570(7) . ?
C65 C70 1.412(8) . ?
C45 C44 1.382(9) . ?
C91 C92 1.370(10) . ?
C83 C89 1.551(8) . ?
C83 C84 1.566(8) . ?
C83 C88 1.549(8) . ?
C40 C39 1.542(9) . ?
C70 C69 1.365(8) . ?
C89 C94 1.415(8) . ?
C68 C67 1.376(11) . ?
C68 C69 1.380(10) . ?
C84 C85 1.543(9) . ?
C94 C93 1.365(9) . ?
C57 C56 1.369(9) . ?
C1 Mo3 2.364(17) . ?
C8 Mo4 1.45(2) . ?
C85 C86 1.503(11) . ?
C43 C44 1.369(10) . ?
C56 C55 1.379(9) . ?
C36 C37 1.531(9) . ?
C74 C75 1.549(10) . ?
C74 C73 1.546(10) . ?
N1 C29 1.147(11) . ?
C2 Mo3 2.05(2) . ?
C37 C38 1.528(11) . ?
C71 C76 1.564(9) . ?
C71 C72 1.558(9) . ?
C76 C75 1.534(11) . ?
C92 C93 1.363(10) . ?
C106 C105 1.357(11) . ?
C106 C101 1.402(10) . ?
C9 Mo4 2.070(18) . ?
C3 H3 0.9500 . ?
C3 C7 1.416(10) . ?
C3 C4 1.420(11) . ?
C29 C30 1.435(12) . ?
C82 C81 1.370(11) . ?
C95 C101 1.556(11) . ?
C95 C100 1.573(10) . ?
C95 C96 1.581(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.411(12) . ?
C10 C14 1.408(11) . ?
C10 Mo4 2.424(17) . ?
C78 C79 1.379(12) . ?
C88 C87 1.547(10) . ?
O5 C15 1.128(12) . ?
O8 C16 1.149(13) . ?
C7 H7 0.9500 . ?
C7 C6 1.393(10) . ?
C102 C101 1.398(11) . ?
C102 C103 1.357(12) . ?
C72 C73 1.535(11) . ?
C87 C86 1.546(12) . ?
C105 C104 1.396(12) . ?
C79 C80 1.387(13) . ?
C100 C99 1.553(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.411(14) . ?
C11 Mo4 2.52(2) . ?
C33 C34 1.458(12) . ?
O7A C22A 1.171(17) . ?
C6 H6 0.9500 . ?
C6 C5 1.429(13) . ?
C103 C104 1.349(13) . ?
C81 C80 1.385(14) . ?
C99 C98 1.514(16) . ?
C14 H14 0.9500 . ?
C14 C13 1.404(12) . ?
C38 C39 1.541(11) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.417(13) . ?
C26A C25A 1.418(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.402(12) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.414(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.443(15) . ?
C13 H13 0.9500 . ?
C5 H5 0.9500 . ?
C28A H28A 0.9500 . ?
C28A C24A 1.412(14) . ?
C97 C98 1.568(14) . ?
C97 C96 1.524(13) . ?
O6A C16A 1.20(2) . ?
N2A C31A 1.15(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C25A H25A 0.9500 . ?
C25A C24A 1.435(14) . ?
C24A H24A 0.9500 . ?
C17A H17A 0.9500 . ?
C17A C18A 1.50(3) . ?
C17A C21A 1.46(3) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.41(3) . ?
C21A H21A 0.9500 . ?
C21A C20A 1.39(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C32A C31A 1.46(2) . ?
As2A Sb2A 2.578(3) . ?
Sb1B As1B 2.816(3) . ?
C20A H20A 0.9500 . ?
C20A C19A 1.38(3) . ?
C19A H19A 0.9500 . ?
C31B N2B 1.12(3) . ?
C31B C32B 1.49(4) . ?
C20B H20B 0.9500 . ?
C20B C19B 1.45(4) . ?
C20B C21B 1.45(4) . ?
C20B Mo3B 2.33(3) . ?
C19B H19B 0.9500 . ?
C19B C18B 1.43(4) . ?
C19B Mo3B 2.248(19) . ?
C18B H18B 0.9500 . ?
C18B C17B 1.30(4) . ?
C18B Mo3B 2.26(2) . ?
C17B H17B 0.9500 . ?
C17B C21B 1.35(4) . ?
C17B Mo3B 2.37(3) . ?
C21B H21B 0.9500 . ?
C21B Mo3B 2.38(3) . ?
Mo3B C16B 1.99(3) . ?
Mo3B Mo4B 3.087(5) . ?
Mo3B C15 1.841(11) . ?
C16B O6B 1.13(3) . ?
Cl2A C107 1.90(3) . ?
Cl1A C107 1.64(3) . ?
Cl1B C108 1.86(4) . ?
Cl2B C108 1.74(3) . ?
C107 H10A 0.9900 . ?
C107 H10B 0.9900 . ?
C108 H10C 0.9900 . ?
C108 H10D 0.9900 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?
C22B O7B 1.190(18) . ?
C22B Mo4B 1.971(16) . ?
Mo4B C25B 2.32(2) . ?
Mo4B C26B 2.31(3) . ?
Mo4B C27B 2.27(3) . ?
Mo4B C28B 2.29(2) . ?
Mo4B C24B 2.35(2) . ?
Mo4B C16 2.141(11) . ?
C25B H25B 0.9500 . ?
C25B C26B 1.419(14) . ?
C25B C24B 1.414(13) . ?
C26B H26B 0.9500 . ?
C26B C27B 1.423(14) . ?
C27B H27B 0.9500 . ?
C27B C28B 1.412(14) . ?
C28B H28B 0.9500 . ?
C28B C24B 1.420(14) . ?
C24B H24B 0.9500 . ?
Cu10 Cu11 2.551(18) . ?
Cu10 As2C 2.44(2) . ?
Cu10 Sb2C 3.10(2) . ?
Cu10 Sb2 2.84(2) . ?
Cu10 As7 2.59(2) . ?
Cu11 Sb2C 2.39(2) . ?
Cu11 Sb2 2.15(2) . ?
Mo3C Mo4C 3.144(16) . ?
Mo3C As2C 2.89(2) . ?
Mo3C Sb2C 2.537(18) . ?
Mo3C C16 2.404(17) . ?
Mo4C As2C 2.795(17) . ?
Mo4C Sb2C 2.772(14) . ?
Mo4C C15 1.629(14) . ?
As2C Sb2C 2.887(15) . ?
Sb2 Mo3 2.723(18) . ?
Sb2 Mo4 2.593(17) . ?
Sb2 As7 2.943(15) . ?
Mo3 Mo4 3.10(3) . ?
Mo3 As7 2.79(2) . ?
Mo4 As7 3.04(2) . ?

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
Sb1A Mo1 As1A 58.31(10) . . ?
C1 Mo1 As1A 67.3(2) . . ?
C1 Mo1 Sb1A 124.7(2) . . ?
C1 Mo1 C2 88.0(3) . . ?
C1 Mo1 C3 93.6(3) . . ?
C1 Mo1 C7 82.6(3) . . ?
C1 Mo1 C6 107.5(3) . . ?
C1 Mo1 C4 129.3(3) . . ?
C1 Mo1 C5 140.4(3) . . ?
C1 Mo1 Sb1B 73.2(2) . . ?
C1 Mo1 As1B 135.2(2) . . ?
C1 Mo1 Sb2 85.4(3) . . ?
C2 Mo1 As1A 79.1(3) . . ?
C2 Mo1 Sb1A 90.5(2) . . ?
C2 Mo1 C3 85.1(3) . . ?
C2 Mo1 C7 118.4(3) . . ?
C2 Mo1 C6 140.6(3) . . ?
C2 Mo1 C4 83.5(3) . . ?
C2 Mo1 C5 114.6(4) . . ?
C2 Mo1 Sb1B 79.3(2) . . ?
C2 Mo1 As1B 91.1(2) . . ?
C2 Mo1 Sb2 81.0(3) . . ?
C3 Mo1 As1A 155.4(2) . . ?
C3 Mo1 Sb1A 141.2(2) . . ?
C3 Mo1 C7 35.7(3) . . ?
C3 Mo1 C6 58.5(3) . . ?
C3 Mo1 C4 36.0(3) . . ?
C3 Mo1 C5 58.9(3) . . ?
C3 Mo1 Sb1B 159.8(2) . . ?
C3 Mo1 As1B 130.9(2) . . ?
C3 Mo1 Sb2 166.1(3) . . ?
C7 Mo1 As1A 145.0(2) . . ?
C7 Mo1 Sb1A 142.35(19) . . ?
C7 Mo1 C6 34.4(2) . . ?
C7 Mo1 C5 58.3(3) . . ?
C7 Mo1 Sb1B 149.7(2) . . ?
C7 Mo1 As1B 134.9(2) . . ?
C7 Mo1 Sb2 156.6(3) . . ?
C6 Mo1 As1A 140.3(2) . . ?
C6 Mo1 Sb1A 107.96(19) . . ?
C6 Mo1 Sb1B 139.5(2) . . ?
C6 Mo1 As1B 101.3(2) . . ?
C6 Mo1 Sb2 134.9(3) . . ?
C4 Mo1 As1A 155.6(2) . . ?
C4 Mo1 Sb1A 105.2(2) . . ?
C4 Mo1 C7 59.1(3) . . ?
C4 Mo1 C6 58.4(3) . . ?
C4 Mo1 C5 35.0(3) . . ?
C4 Mo1 Sb1B 151.1(2) . . ?
C4 Mo1 As1B 95.0(2) . . ?
C4 Mo1 Sb2 141.3(3) . . ?
C5 Mo1 As1A 145.4(2) . . ?
C5 Mo1 Sb1A 88.8(2) . . ?
C5 Mo1 C6 35.1(3) . . ?
C5 Mo1 Sb1B 140.0(2) . . ?
C5 Mo1 As1B 79.1(2) . . ?
C5 Mo1 Sb2 128.2(3) . . ?
As1B Mo1 Sb1B 62.63(9) . . ?
Sb1A Mo2 As1A 59.82(11) . . ?
C8 Mo2 As1A 135.5(2) . . ?
C8 Mo2 Sb1A 76.6(2) . . ?
C8 Mo2 C10 84.6(3) . . ?
C8 Mo2 C11 91.0(3) . . ?
C8 Mo2 C14 113.1(3) . . ?
C8 Mo2 C12 125.5(4) . . ?
C8 Mo2 C13 143.7(3) . . ?
C8 Mo2 Sb1B 128.5(2) . . ?
C8 Mo2 Sb2 115.5(3) . . ?
C9 Mo2 As1A 94.3(3) . . ?
C9 Mo2 Sb1A 78.5(2) . . ?
C9 Mo2 C8 85.1(4) . . ?
C9 Mo2 C10 122.6(3) . . ?
C9 Mo2 C11 88.3(3) . . ?
C9 Mo2 C14 141.2(3) . . ?
C9 Mo2 C12 82.6(4) . . ?
C9 Mo2 C13 112.7(4) . . ?
C9 Mo2 Sb1B 92.9(2) . . ?
C9 Mo2 Sb2 89.6(3) . . ?
C10 Mo2 As1A 130.0(2) . . ?
C10 Mo2 Sb1A 150.6(2) . . ?
C10 Mo2 C14 35.2(3) . . ?
C10 Mo2 C13 59.1(3) . . ?
C10 Mo2 Sb1B 135.3(2) . . ?
C10 Mo2 Sb2 144.4(3) . . ?
C11 Mo2 As1A 133.5(3) . . ?
C11 Mo2 Sb1A 162.5(2) . . ?
C11 Mo2 C10 35.8(3) . . ?
C11 Mo2 C14 58.9(3) . . ?
C11 Mo2 C12 35.9(4) . . ?
C11 Mo2 C13 59.8(3) . . ?
C11 Mo2 Sb1B 140.4(3) . . ?
C11 Mo2 Sb2 153.0(3) . . ?
C14 Mo2 As1A 94.8(2) . . ?
C14 Mo2 Sb1A 137.5(2) . . ?
C14 Mo2 Sb1B 100.1(2) . . ?
C14 Mo2 Sb2 110.1(3) . . ?
C12 Mo2 As1A 98.4(3) . . ?
C12 Mo2 Sb1A 149.5(3) . . ?
C12 Mo2 C10 59.6(3) . . ?
C12 Mo2 C14 58.8(3) . . ?
C12 Mo2 C13 36.2(4) . . ?
C12 Mo2 Sb1B 105.1(3) . . ?
C12 Mo2 Sb2 117.3(4) . . ?
C13 Mo2 As1A 76.8(2) . . ?
C13 Mo2 Sb1A 136.2(2) . . ?
C13 Mo2 C14 34.8(3) . . ?
C13 Mo2 Sb1B 83.7(2) . . ?
C13 Mo2 Sb2 96.7(3) . . ?
Mo4 Mo2 C8 17.0(17) . . ?
Mo4 Mo2 C9 90.2(16) . . ?
Mo4 Mo2 C10 95.5(15) . . ?
Mo4 Mo2 C11 107.4(17) . . ?
Mo4 Mo2 C14 117.5(15) . . ?
Mo4 Mo2 C12 142.4(18) . . ?
Mo4 Mo2 C13 152.1(15) . . ?
Mo4 Mo2 Sb2 99.4(17) . . ?
C26A Mo4A Mo3A 94.2(5) . . ?
C26A Mo4A C27A 33.8(4) . . ?
C26A Mo4A As2A 80.7(6) . . ?
C26A Mo4A Sb2A 136.0(6) . . ?
C27A Mo4A Mo3A 78.0(6) . . ?
C27A Mo4A As2A 94.8(5) . . ?
C27A Mo4A Sb2A 131.7(6) . . ?
C22A Mo4A Mo3A 85.9(13) . . ?
C22A Mo4A C26A 141.6(17) . . ?
C22A Mo4A C27A 110.2(17) . . ?
C22A Mo4A C28A 88.5(16) . . ?
C22A Mo4A C25A 133.4(14) . . ?
C22A Mo4A C24A 97.4(14) . . ?
C22A Mo4A As2A 127.2(13) . . ?
C22A Mo4A Sb2A 72.6(14) . . ?
C28A Mo4A Mo3A 102.4(4) . . ?
C28A Mo4A C26A 54.0(8) . . ?
C28A Mo4A C27A 34.2(4) . . ?
C28A Mo4A C25A 57.5(6) . . ?
C28A Mo4A As2A 128.8(5) . . ?
C28A Mo4A Sb2A 149.7(4) . . ?
C25A Mo4A Mo3A 128.7(5) . . ?
C25A Mo4A C26A 34.6(4) . . ?
C25A Mo4A C27A 59.8(8) . . ?
C25A Mo4A As2A 99.4(4) . . ?
C25A Mo4A Sb2A 150.6(5) . . ?
C24A Mo4A Mo3A 137.4(5) . . ?
C24A Mo4A C26A 58.0(7) . . ?
C24A Mo4A C27A 61.0(8) . . ?
C24A Mo4A C28A 35.8(4) . . ?
C24A Mo4A C25A 36.4(4) . . ?
C24A Mo4A As2A 135.2(4) . . ?
C24A Mo4A Sb2A 165.6(5) . . ?
As2A Mo4A Mo3A 54.08(8) . . ?
As2A Mo4A Sb2A 56.55(7) . . ?
Sb2A Mo4A Mo3A 53.87(7) . . ?
C16 Mo4A Mo3A 127.6(4) . . ?
C16 Mo4A C26A 118.6(6) . . ?
C16 Mo4A C27A 149.5(7) . . ?
C16 Mo4A C22A 90.1(16) . . ?
C16 Mo4A C28A 129.7(6) . . ?
C16 Mo4A C25A 89.7(6) . . ?
C16 Mo4A C24A 94.9(6) . . ?
C16 Mo4A As2A 90.1(3) . . ?
C16 Mo4A Sb2A 75.1(4) . . ?
Sb2B As2B Mo3B 59.2(2) . . ?
Sb2B As2B Mo4B 52.6(2) . . ?
Mo3B As2B Mo4B 66.08(19) . . ?
C17A Mo3A Mo4A 108.5(5) . . ?
C17A Mo3A C18A 37.7(7) . . ?
C17A Mo3A C21A 36.7(8) . . ?
C17A Mo3A As2A 144.6(5) . . ?
C17A Mo3A Sb2A 144.2(7) . . ?
C17A Mo3A C20A 60.1(7) . . ?
C18A Mo3A Mo4A 143.5(5) . . ?
C18A Mo3A C21A 59.8(7) . . ?
C18A Mo3A As2A 159.4(6) . . ?
C18A Mo3A Sb2A 135.9(5) . . ?
C18A Mo3A C20A 58.4(7) . . ?
C21A Mo3A Mo4A 84.2(4) . . ?
C21A Mo3A As2A 137.3(4) . . ?
C21A Mo3A Sb2A 107.8(5) . . ?
C16A Mo3A Mo4A 131.7(5) . . ?
C16A Mo3A C17A 119.6(7) . . ?
C16A Mo3A C18A 84.2(7) . . ?
C16A Mo3A C21A 139.1(7) . . ?
C16A Mo3A As2A 82.5(5) . . ?
C16A Mo3A Sb2A 83.9(6) . . ?
C16A Mo3A C20A 111.0(7) . . ?
C16A Mo3A C19A 80.7(8) . . ?
C16A Mo3A C15 88.4(7) . . ?
As2A Mo3A Mo4A 53.63(9) . . ?
As2A Mo3A Sb2A 57.89(8) . . ?
Sb2A Mo3A Mo4A 57.54(6) . . ?
C20A Mo3A Mo4A 96.1(5) . . ?
C20A Mo3A C21A 34.7(6) . . ?
C20A Mo3A As2A 141.7(5) . . ?
C20A Mo3A Sb2A 87.2(4) . . ?
C19A Mo3A Mo4A 130.3(6) . . ?
C19A Mo3A C17A 61.4(7) . . ?
C19A Mo3A C18A 35.4(7) . . ?
C19A Mo3A C21A 58.9(7) . . ?
C19A Mo3A As2A 154.0(5) . . ?
C19A Mo3A Sb2A 100.6(5) . . ?
C19A Mo3A C20A 34.8(7) . . ?
C15 Mo3A Mo4A 94.3(3) . . ?
C15 Mo3A C17A 81.6(7) . . ?
C15 Mo3A C18A 93.0(6) . . ?
C15 Mo3A C21A 110.7(5) . . ?
C15 Mo3A As2A 71.0(3) . . ?
C15 Mo3A Sb2A 128.8(3) . . ?
C15 Mo3A C20A 141.7(5) . . ?
C15 Mo3A C19A 127.8(6) . . ?
Mo2 As1A Mo1 64.88(12) . . ?
Sb1A As1A Mo1 53.08(8) . . ?
Sb1A As1A Mo2 55.89(8) . . ?
Sb1A As1A Cu2 55.02(8) . . ?
Cu2 As1A Mo1 96.56(13) . . ?
Cu2 As1A Mo2 102.80(15) . . ?
As2B Sb2B Mo3B 64.4(2) . . ?
Mo4B Sb2B As2B 71.0(3) . . ?
Mo4B Sb2B Mo3B 75.0(2) . . ?
Mo1 Sb1A Mo2 74.37(7) . . ?
Mo1 Sb1A As1A 68.61(12) . . ?
Mo2 Sb1A As1A 64.29(12) . . ?
Cu2 Sb1A Mo1 114.63(9) . . ?
Cu2 Sb1A Mo2 116.57(7) . . ?
Cu2 Sb1A As1A 63.13(12) . . ?
Cu2 Sb1A Cu1 63.15(7) . . ?
Cu1 Sb1A Mo1 159.12(10) . . ?
Cu1 Sb1A Mo2 126.02(10) . . ?
Cu1 Sb1A As1A 121.56(10) . . ?
Sb1A Cu2 As1A 61.85(12) . . ?
Sb1A Cu2 Cu1 58.52(6) . . ?
Sb1A Cu2 Sb2A 147.17(8) . . ?
Cu1 Cu2 As1A 116.17(12) . . ?
Cu1 Cu2 Sb2A 117.43(6) . . ?
N3 Cu2 As1A 112.5(2) . . ?
N3 Cu2 Sb1A 110.4(2) . . ?
N3 Cu2 Cu1 107.5(3) . . ?
N3 Cu2 As2A 122.8(2) . . ?
N3 Cu2 Sb2A 101.9(2) . . ?
As2A Cu2 As1A 123.49(16) . . ?
As2A Cu2 Sb1A 105.32(9) . . ?
As2A Cu2 Cu1 58.12(8) . . ?
As2A Cu2 Sb2A 59.45(8) . . ?
Sb2A Cu2 As1A 100.49(13) . . ?
Sb1A Cu1 Cu2 58.33(6) . . ?
N1 Cu1 Sb1A 107.1(3) . . ?
N1 Cu1 Cu2 146.9(3) . . ?
N1 Cu1 N2A 119.3(6) . . ?
N1 Cu1 As2A 105.3(2) . . ?
N2A Cu1 Sb1A 117.9(4) . . ?
N2A Cu1 Cu2 92.8(5) . . ?
N2A Cu1 As2A 100.3(4) . . ?
As2A Cu1 Sb1A 104.80(11) . . ?
As2A Cu1 Cu2 57.68(8) . . ?
F1 Al1 O10 109.51(18) . . ?
F1 Al1 O11 109.23(18) . . ?
F1 Al1 O9 109.81(18) . . ?
O10 Al1 O9 110.37(19) . . ?
O11 Al1 O10 107.72(19) . . ?
O11 Al1 O9 110.16(19) . . ?
F47 Al2 O13 110.9(2) . . ?
F47 Al2 O14 109.7(2) . . ?
F47 Al2 O12 109.5(2) . . ?
O13 Al2 O14 108.4(2) . . ?
O12 Al2 O13 107.6(2) . . ?
O12 Al2 O14 110.7(2) . . ?
C47 O10 Al1 136.3(3) . . ?
C59 O11 Al1 137.2(3) . . ?
C35 O9 Al1 135.3(3) . . ?
C83 O13 Al2 135.5(4) . . ?
C95 O14 Al2 137.8(5) . . ?
C71 O12 Al2 138.3(5) . . ?
F25 C52 C51 103.9(4) . . ?
F25 C52 C47 113.2(4) . . ?
F26 C52 F25 107.7(4) . . ?
F26 C52 C51 108.7(4) . . ?
F26 C52 C47 109.5(4) . . ?
C51 C52 C47 113.5(4) . . ?
F31 C58 C53 121.9(5) . . ?
F31 C58 C57 115.6(5) . . ?
C57 C58 C53 122.5(5) . . ?
F35 C61 C62 108.3(4) . . ?
F35 C61 C60 108.2(5) . . ?
F34 C61 F35 107.2(4) . . ?
F34 C61 C62 109.0(5) . . ?
F34 C61 C60 109.2(4) . . ?
C60 C61 C62 114.6(5) . . ?
F16 C46 C41 120.8(5) . . ?
F16 C46 C45 114.9(5) . . ?
C45 C46 C41 124.2(6) . . ?
F37 C62 C61 107.0(5) . . ?
F37 C62 C63 109.0(5) . . ?
F36 C62 F37 108.0(5) . . ?
F36 C62 C61 108.3(5) . . ?
F36 C62 C63 110.5(5) . . ?
C63 C62 C61 113.8(5) . . ?
F32 C60 C61 106.3(4) . . ?
F32 C60 C59 111.9(4) . . ?
F33 C60 F32 105.8(4) . . ?
F33 C60 C61 107.3(4) . . ?
F33 C60 C59 110.0(4) . . ?
C61 C60 C59 115.1(4) . . ?
F42 C66 C65 121.4(5) . . ?
F42 C66 C67 115.6(5) . . ?
C67 C66 C65 123.0(6) . . ?
C58 C53 C54 114.1(5) . . ?
C58 C53 C47 118.8(5) . . ?
C54 C53 C47 126.9(5) . . ?
F22 C50 C51 108.8(5) . . ?
F22 C50 C49 108.5(5) . . ?
F21 C50 F22 108.0(4) . . ?
F21 C50 C51 109.5(5) . . ?
F21 C50 C49 109.8(5) . . ?
C51 C50 C49 112.1(4) . . ?
F73 C90 C91 115.0(5) . . ?
F73 C90 C89 121.0(5) . . ?
C91 C90 C89 123.9(6) . . ?
F23 C51 F24 107.2(4) . . ?
F23 C51 C52 113.0(4) . . ?
F23 C51 C50 108.2(5) . . ?
F24 C51 C52 108.3(5) . . ?
F24 C51 C50 107.3(4) . . ?
C52 C51 C50 112.6(5) . . ?
C33 N3 Cu2 174.1(10) . . ?
C33 N3 Cu10 151.6(11) . . ?
F12 C42 C41 122.2(5) . . ?
F12 C42 C43 114.4(5) . . ?
C43 C42 C41 123.3(6) . . ?
F39 C63 F38 107.0(5) . . ?
F39 C63 C62 108.5(5) . . ?
F39 C63 C64 112.9(5) . . ?
F38 C63 C62 107.5(4) . . ?
F38 C63 C64 108.5(5) . . ?
C62 C63 C64 112.2(5) . . ?
F40 C64 C63 103.5(4) . . ?
F40 C64 C59 112.6(4) . . ?
F41 C64 F40 108.1(4) . . ?
F41 C64 C63 108.2(5) . . ?
F41 C64 C59 110.3(4) . . ?
C63 C64 C59 113.8(5) . . ?
O11 C59 C60 107.8(4) . . ?
O11 C59 C64 105.9(4) . . ?
O11 C59 C65 111.5(4) . . ?
C64 C59 C60 105.9(4) . . ?
C65 C59 C60 109.7(4) . . ?
C65 C59 C64 115.6(4) . . ?
O9 C35 C41 110.8(4) . . ?
O9 C35 C40 107.0(5) . . ?
O9 C35 C36 108.2(4) . . ?
C41 C35 C40 116.2(5) . . ?
C41 C35 C36 109.9(5) . . ?
C40 C35 C36 104.3(5) . . ?
F27 C54 C53 121.8(5) . . ?
F27 C54 C55 114.7(5) . . ?
C55 C54 C53 123.5(5) . . ?
C82 C77 C71 118.3(7) . . ?
C78 C77 C71 128.4(6) . . ?
C78 C77 C82 113.1(7) . . ?
F17 C48 F18 106.5(4) . . ?
F17 C48 C49 108.8(5) . . ?
F17 C48 C47 109.9(4) . . ?
F18 C48 C49 105.3(4) . . ?
F18 C48 C47 110.2(4) . . ?
C49 C48 C47 115.7(4) . . ?
C66 C65 C59 127.4(5) . . ?
C66 C65 C70 113.1(5) . . ?
C70 C65 C59 119.3(5) . . ?
F19 C49 F20 107.4(5) . . ?
F19 C49 C50 108.3(5) . . ?
F19 C49 C48 110.5(5) . . ?
F20 C49 C50 108.1(5) . . ?
F20 C49 C48 108.8(5) . . ?
C48 C49 C50 113.5(5) . . ?
C46 C41 C35 118.9(5) . . ?
C42 C41 C46 113.0(5) . . ?
C42 C41 C35 127.8(5) . . ?
F15 C45 C46 119.2(6) . . ?
F15 C45 C44 120.2(6) . . ?
C46 C45 C44 120.6(6) . . ?
F74 C91 C90 118.9(6) . . ?
F74 C91 C92 120.9(6) . . ?
C90 C91 C92 120.2(6) . . ?
O13 C83 C89 111.0(5) . . ?
O13 C83 C84 109.5(5) . . ?
O13 C83 C88 105.2(5) . . ?
C89 C83 C84 109.5(5) . . ?
C88 C83 C89 116.3(5) . . ?
C88 C83 C84 105.0(5) . . ?
F11 C40 F10 107.7(5) . . ?
F11 C40 C35 108.8(5) . . ?
F11 C40 C39 107.5(5) . . ?
F10 C40 C35 112.4(5) . . ?
F10 C40 C39 104.9(5) . . ?
C39 C40 C35 115.1(5) . . ?
F46 C70 C65 120.8(5) . . ?
F46 C70 C69 115.3(5) . . ?
C69 C70 C65 123.9(6) . . ?
C90 C89 C83 128.5(5) . . ?
C90 C89 C94 113.3(5) . . ?
C94 C89 C83 117.9(5) . . ?
F44 C68 C67 121.2(7) . . ?
F44 C68 C69 121.5(7) . . ?
C67 C68 C69 117.3(6) . . ?
O10 C47 C52 105.7(4) . . ?
O10 C47 C53 111.9(4) . . ?
O10 C47 C48 107.7(4) . . ?
C52 C47 C48 104.9(4) . . ?
C53 C47 C52 117.0(4) . . ?
C53 C47 C48 109.0(4) . . ?
F63 C84 F64 106.4(5) . . ?
F63 C84 C83 111.8(5) . . ?
F63 C84 C85 106.9(5) . . ?
F64 C84 C83 108.9(5) . . ?
F64 C84 C85 106.4(5) . . ?
C85 C84 C83 115.9(5) . . ?
F77 C94 C89 121.5(5) . . ?
F77 C94 C93 115.4(5) . . ?
C93 C94 C89 123.0(6) . . ?
F30 C57 C58 119.0(5) . . ?
F30 C57 C56 120.0(5) . . ?
C56 C57 C58 121.0(6) . . ?
Mo1 C1 Mo3 5.6(4) . . ?
O1 C1 Mo1 176.4(7) . . ?
O1 C1 Mo3 170.9(8) . . ?
O3 C8 Mo2 176.1(7) . . ?
O3 C8 Mo4 176.8(11) . . ?
Mo4 C8 Mo2 6.7(8) . . ?
F43 C67 C68 118.3(6) . . ?
C66 C67 F43 119.5(6) . . ?
C66 C67 C68 122.3(6) . . ?
F65 C85 C84 109.5(5) . . ?
F65 C85 C86 108.0(5) . . ?
F66 C85 F65 107.4(5) . . ?
F66 C85 C84 108.2(5) . . ?
F66 C85 C86 109.1(6) . . ?
C86 C85 C84 114.4(6) . . ?
F13 C43 C42 119.8(6) . . ?
F13 C43 C44 118.7(6) . . ?
C44 C43 C42 121.4(6) . . ?
F29 C56 C57 120.9(5) . . ?
F29 C56 C55 120.8(5) . . ?
C57 C56 C55 118.3(5) . . ?
F45 C69 C70 120.0(6) . . ?
F45 C69 C68 119.5(6) . . ?
C70 C69 C68 120.5(6) . . ?
F3 C36 F2 106.0(5) . . ?
F3 C36 C35 111.7(5) . . ?
F3 C36 C37 106.2(5) . . ?
F2 C36 C35 108.7(5) . . ?
F2 C36 C37 107.6(5) . . ?
C37 C36 C35 116.1(5) . . ?
F28 C55 C54 120.0(5) . . ?
F28 C55 C56 119.5(5) . . ?
C54 C55 C56 120.5(5) . . ?
F53 C74 C75 109.0(7) . . ?
F53 C74 C73 107.6(5) . . ?
F52 C74 F53 108.6(6) . . ?
F52 C74 C75 109.5(6) . . ?
F52 C74 C73 110.6(7) . . ?
C73 C74 C75 111.5(5) . . ?
C29 N1 Cu1 174.1(8) . . ?
F14 C44 C45 121.4(6) . . ?
F14 C44 C43 121.0(6) . . ?
C43 C44 C45 117.5(6) . . ?
Mo1 C2 Mo3 12.0(5) . . ?
O2 C2 Mo1 175.0(6) . . ?
O2 C2 Mo3 164.5(9) . . ?
F5 C37 C36 108.8(5) . . ?
F5 C37 C38 108.1(6) . . ?
F4 C37 F5 106.9(5) . . ?
F4 C37 C36 108.4(6) . . ?
F4 C37 C38 109.3(5) . . ?
C38 C37 C36 115.0(6) . . ?
O12 C71 C77 112.6(5) . . ?
O12 C71 C76 105.7(5) . . ?
O12 C71 C72 107.7(6) . . ?
C77 C71 C76 115.1(6) . . ?
C72 C71 C77 110.1(5) . . ?
C72 C71 C76 105.1(5) . . ?
F56 C76 F57 107.6(6) . . ?
F56 C76 C71 109.4(5) . . ?
F56 C76 C75 109.2(5) . . ?
F57 C76 C71 112.1(5) . . ?
F57 C76 C75 104.0(5) . . ?
C75 C76 C71 114.2(6) . . ?
F75 C92 C91 120.2(6) . . ?
F75 C92 C93 121.3(6) . . ?
C93 C92 C91 118.6(6) . . ?
F92 C106 C105 115.5(7) . . ?
F92 C106 C101 121.4(7) . . ?
C105 C106 C101 123.2(8) . . ?
Mo2 C9 Mo4 16.2(5) . . ?
O4 C9 Mo2 174.4(7) . . ?
O4 C9 Mo4 163.3(11) . . ?
F76 C93 C94 119.0(6) . . ?
F76 C93 C92 120.1(6) . . ?
C92 C93 C94 120.9(6) . . ?
Mo1 C3 H3 119.4 . . ?
C7 C3 Mo1 73.4(4) . . ?
C7 C3 H3 126.3 . . ?
C7 C3 C4 107.3(7) . . ?
C4 C3 Mo1 72.7(4) . . ?
C4 C3 H3 126.3 . . ?
N1 C29 C30 178.8(11) . . ?
F62 C82 C77 120.4(7) . . ?
F62 C82 C81 115.8(7) . . ?
C81 C82 C77 123.8(8) . . ?
O14 C95 C101 111.9(6) . . ?
O14 C95 C100 106.1(5) . . ?
O14 C95 C96 107.9(7) . . ?
C101 C95 C100 115.6(7) . . ?
C101 C95 C96 108.3(6) . . ?
C100 C95 C96 106.7(7) . . ?
Mo2 C10 H10 119.7 . . ?
Mo2 C10 Mo4 13.7(5) . . ?
C11 C10 Mo2 71.6(4) . . ?
C11 C10 H10 125.9 . . ?
C11 C10 Mo4 77.3(6) . . ?
C14 C10 Mo2 74.5(4) . . ?
C14 C10 H10 125.9 . . ?
C14 C10 C11 108.1(7) . . ?
C14 C10 Mo4 83.9(6) . . ?
Mo4 C10 H10 106.2 . . ?
F58 C78 C77 121.3(7) . . ?
F58 C78 C79 114.0(8) . . ?
C79 C78 C77 124.6(7) . . ?
F72 C88 C83 114.0(5) . . ?
F72 C88 C87 103.1(5) . . ?
F71 C88 F72 106.4(5) . . ?
F71 C88 C83 110.7(5) . . ?
F71 C88 C87 108.0(5) . . ?
C87 C88 C83 114.1(5) . . ?
Mo1 C7 H7 120.4 . . ?
C3 C7 Mo1 70.8(4) . . ?
C3 C7 H7 125.6 . . ?
C6 C7 Mo1 74.9(4) . . ?
C6 C7 C3 108.7(7) . . ?
C6 C7 H7 125.6 . . ?
F88 C102 C101 121.2(7) . . ?
F88 C102 C103 115.5(8) . . ?
C103 C102 C101 123.2(8) . . ?
F49 C72 C71 109.8(7) . . ?
F49 C72 C73 108.2(5) . . ?
F48 C72 F49 105.4(5) . . ?
F48 C72 C71 111.1(5) . . ?
F48 C72 C73 106.4(7) . . ?
C73 C72 C71 115.4(6) . . ?
F70 C87 C88 112.3(6) . . ?
F70 C87 C86 108.2(6) . . ?
F69 C87 F70 106.8(6) . . ?
F69 C87 C88 108.6(6) . . ?
F69 C87 C86 109.1(6) . . ?
C86 C87 C88 111.7(6) . . ?
F91 C105 C106 120.2(8) . . ?
F91 C105 C104 119.2(7) . . ?
C106 C105 C104 120.6(7) . . ?
F59 C79 C78 120.5(8) . . ?
F59 C79 C80 119.9(8) . . ?
C78 C79 C80 119.6(9) . . ?
F55 C75 F54 107.1(5) . . ?
F55 C75 C74 108.4(6) . . ?
F55 C75 C76 112.6(5) . . ?
F54 C75 C74 107.9(5) . . ?
F54 C75 C76 107.7(6) . . ?
C76 C75 C74 112.8(6) . . ?
F50 C73 F51 107.7(6) . . ?
F50 C73 C74 107.9(6) . . ?
F50 C73 C72 110.4(5) . . ?
F51 C73 C74 107.1(5) . . ?
F51 C73 C72 108.6(6) . . ?
C72 C73 C74 114.9(7) . . ?
C106 C101 C95 118.6(7) . . ?
C102 C101 C106 113.7(7) . . ?
C102 C101 C95 127.7(7) . . ?
F87 C100 F86 109.6(8) . . ?
F87 C100 C95 109.9(7) . . ?
F87 C100 C99 110.4(7) . . ?
F86 C100 C95 112.0(6) . . ?
F86 C100 C99 103.1(7) . . ?
C99 C100 C95 111.6(7) . . ?
Mo2 C11 H11 120.8 . . ?
Mo2 C11 Mo4 12.6(4) . . ?
C10 C11 Mo2 72.6(4) . . ?
C10 C11 H11 126.0 . . ?
C10 C11 C12 107.9(8) . . ?
C10 C11 Mo4 69.7(5) . . ?
C12 C11 Mo2 72.3(5) . . ?
C12 C11 H11 126.0 . . ?
C12 C11 Mo4 84.7(6) . . ?
Mo4 C11 H11 111.9 . . ?
N3 C33 C34 176.7(11) . . ?
F67 C86 C85 110.6(7) . . ?
F67 C86 C87 108.5(6) . . ?
F68 C86 F67 106.6(5) . . ?
F68 C86 C85 109.3(6) . . ?
F68 C86 C87 108.1(7) . . ?
C85 C86 C87 113.5(5) . . ?
Mo1 C6 H6 123.3 . . ?
C7 C6 Mo1 70.7(4) . . ?
C7 C6 H6 126.1 . . ?
C7 C6 C5 107.9(7) . . ?
C5 C6 Mo1 71.6(4) . . ?
C5 C6 H6 126.1 . . ?
F89 C103 C102 118.4(8) . . ?
C104 C103 F89 119.8(8) . . ?
C104 C103 C102 121.8(9) . . ?
F61 C81 C82 119.2(9) . . ?
F61 C81 C80 120.3(8) . . ?
C82 C81 C80 120.5(8) . . ?
F85 C99 F84 106.6(7) . . ?
F85 C99 C100 112.7(7) . . ?
F85 C99 C98 108.5(9) . . ?
F84 C99 C100 107.3(8) . . ?
F84 C99 C98 108.4(8) . . ?
C98 C99 C100 113.2(7) . . ?
Mo2 C14 H14 123.6 . . ?
C10 C14 Mo2 70.3(4) . . ?
C10 C14 H14 125.4 . . ?
C13 C14 Mo2 72.3(5) . . ?
C13 C14 C10 109.2(8) . . ?
C13 C14 H14 125.4 . . ?
F7 C38 C37 107.3(6) . . ?
F7 C38 C39 109.0(6) . . ?
F6 C38 F7 108.1(5) . . ?
F6 C38 C37 110.6(6) . . ?
F6 C38 C39 109.5(7) . . ?
C37 C38 C39 112.2(5) . . ?
F9 C39 F8 107.4(6) . . ?
F9 C39 C40 111.9(5) . . ?
F9 C39 C38 108.8(6) . . ?
F8 C39 C40 108.4(6) . . ?
F8 C39 C38 108.1(5) . . ?
C38 C39 C40 112.1(6) . . ?
Mo4A C26A H26A 124.9 . . ?
C27A C26A Mo4A 74.4(16) . . ?
C27A C26A H26A 122.6 . . ?
C27A C26A C25A 115(2) . . ?
C25A C26A Mo4A 69.8(14) . . ?
C25A C26A H26A 122.6 . . ?
Mo1 C4 H4 120.2 . . ?
C3 C4 Mo1 71.3(4) . . ?
C3 C4 H4 125.9 . . ?
C5 C4 Mo1 74.4(5) . . ?
C5 C4 C3 108.3(7) . . ?
C5 C4 H4 125.9 . . ?
Mo4A C27A H27A 121.7 . . ?
C26A C27A Mo4A 71.8(16) . . ?
C26A C27A H27A 130.3 . . ?
C28A C27A Mo4A 68.5(16) . . ?
C28A C27A C26A 99(2) . . ?
C28A C27A H27A 130.3 . . ?
F60 C80 C79 121.3(9) . . ?
F60 C80 C81 120.3(8) . . ?
C81 C80 C79 118.4(8) . . ?
Mo2 C12 H12 120.2 . . ?
C11 C12 Mo2 71.8(5) . . ?
C11 C12 H12 126.0 . . ?
C11 C12 C13 108.1(8) . . ?
C13 C12 Mo2 73.9(5) . . ?
C13 C12 H12 126.0 . . ?
Mo2 C13 H13 122.2 . . ?
C14 C13 Mo2 72.9(5) . . ?
C14 C13 C12 106.6(8) . . ?
C14 C13 H13 126.7 . . ?
C12 C13 Mo2 69.9(5) . . ?
C12 C13 H13 126.7 . . ?
Mo1 C5 H5 121.7 . . ?
C6 C5 Mo1 73.3(5) . . ?
C6 C5 H5 126.1 . . ?
C4 C5 Mo1 70.6(5) . . ?
C4 C5 C6 107.8(7) . . ?
C4 C5 H5 126.1 . . ?
O7A C22A Mo4A 168(3) . . ?
F90 C104 C105 120.7(8) . . ?
F90 C104 C103 121.8(8) . . ?
C103 C104 C105 117.5(8) . . ?
Mo4A C28A H28A 123.3 . . ?
C27A C28A Mo4A 77.3(17) . . ?
C27A C28A H28A 122.2 . . ?
C24A C28A Mo4A 68.6(10) . . ?
C24A C28A C27A 116(2) . . ?
C24A C28A H28A 122.2 . . ?
F80 C97 F81 108.0(9) . . ?
F80 C97 C98 107.8(7) . . ?
F80 C97 C96 111.2(7) . . ?
F81 C97 C98 107.6(7) . . ?
F81 C97 C96 109.2(7) . . ?
C96 C97 C98 112.9(9) . . ?
F83 C98 C99 111.3(7) . . ?
F83 C98 C97 105.7(9) . . ?
F82 C98 F83 107.2(7) . . ?
F82 C98 C99 110.2(10) . . ?
F82 C98 C97 108.5(7) . . ?
C99 C98 C97 113.6(7) . . ?
F78 C96 F79 106.6(6) . . ?
F78 C96 C95 111.0(6) . . ?
F78 C96 C97 106.0(8) . . ?
F79 C96 C95 108.4(8) . . ?
F79 C96 C97 108.9(6) . . ?
C97 C96 C95 115.5(7) . . ?
C31A N2A Cu1 171.9(16) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Mo4A C25A H25A 120.7 . . ?
C26A C25A Mo4A 75.6(16) . . ?
C26A C25A H25A 127.4 . . ?
C26A C25A C24A 105(2) . . ?
C24A C25A Mo4A 68.2(9) . . ?
C24A C25A H25A 127.4 . . ?
Mo4A C24A H24A 114.1 . . ?
C28A C24A Mo4A 75.6(11) . . ?
C28A C24A C25A 104.4(17) . . ?
C28A C24A H24A 127.8 . . ?
C25A C24A Mo4A 75.4(10) . . ?
C25A C24A H24A 127.8 . . ?
Mo3A C17A H17A 118.8 . . ?
C18A C17A Mo3A 72.2(9) . . ?
C18A C17A H17A 128.1 . . ?
C21A C17A Mo3A 73.2(10) . . ?
C21A C17A H17A 128.1 . . ?
C21A C17A C18A 103.9(17) . . ?
Mo3A C18A H18A 124.5 . . ?
C17A C18A Mo3A 70.1(9) . . ?
C17A C18A H18A 126.2 . . ?
C19A C18A Mo3A 70.9(9) . . ?
C19A C18A C17A 107.7(19) . . ?
C19A C18A H18A 126.2 . . ?
Mo3A C21A H21A 123.6 . . ?
C17A C21A Mo3A 70.1(10) . . ?
C17A C21A H21A 125.7 . . ?
C20A C21A Mo3A 72.2(10) . . ?
C20A C21A C17A 108.7(17) . . ?
C20A C21A H21A 125.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O6A C16A Mo3A 174.4(13) . . ?
H32A C32A H32B 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C31A C32A H32A 109.5 . . ?
C31A C32A H32B 109.5 . . ?
C31A C32A H32C 109.5 . . ?
Mo4A As2A Mo3A 72.29(10) . . ?
Cu2 As2A Mo4A 118.32(16) . . ?
Cu2 As2A Mo3A 112.29(10) . . ?
Cu2 As2A Cu1 64.20(8) . . ?
Cu2 As2A Sb2A 65.11(10) . . ?
Cu1 As2A Mo4A 148.59(13) . . ?
Cu1 As2A Mo3A 138.09(15) . . ?
Cu1 As2A Sb2A 129.15(13) . . ?
Sb2A As2A Mo4A 65.44(11) . . ?
Sb2A As2A Mo3A 62.11(9) . . ?
Mo3A Sb2A Mo4A 68.59(8) . . ?
Mo3A Sb2A Cu2 103.23(8) . . ?
Cu2 Sb2A Mo4A 104.44(9) . . ?
As2A Sb2A Mo4A 58.02(9) . . ?
As2A Sb2A Mo3A 60.00(9) . . ?
As2A Sb2A Cu2 55.44(8) . . ?
Mo1 Sb1B As1B 58.10(8) . . ?
Mo2 Sb1B Mo1 70.30(9) . . ?
Mo2 Sb1B As1B 63.85(8) . . ?
Mo1 As1B Mo2 67.16(9) . . ?
Mo1 As1B Sb1B 59.27(8) . . ?
Sb1B As1B Mo2 55.20(8) . . ?
Mo3A C20A H20A 122.6 . . ?
C21A C20A Mo3A 73.1(10) . . ?
C21A C20A H20A 124.8 . . ?
C19A C20A Mo3A 71.1(10) . . ?
C19A C20A C21A 110.4(17) . . ?
C19A C20A H20A 124.8 . . ?
Mo3A C19A H19A 118.6 . . ?
C18A C19A Mo3A 73.7(9) . . ?
C18A C19A H19A 125.5 . . ?
C20A C19A Mo3A 74.1(10) . . ?
C20A C19A C18A 109.1(18) . . ?
C20A C19A H19A 125.5 . . ?
N2A C31A C32A 179(2) . . ?
N2B C31B C32B 177(2) . . ?
C19B C20B H20B 128.4 . . ?
C19B C20B C21B 103(2) . . ?
C19B C20B Mo3B 68.4(13) . . ?
C21B C20B H20B 128.4 . . ?
C21B C20B Mo3B 74.0(15) . . ?
Mo3B C20B H20B 121.2 . . ?
C20B C19B H19B 125.9 . . ?
C20B C19B Mo3B 74.6(12) . . ?
C18B C19B C20B 108(2) . . ?
C18B C19B H19B 125.9 . . ?
C18B C19B Mo3B 71.8(12) . . ?
Mo3B C19B H19B 119.5 . . ?
C19B C18B H18B 127.0 . . ?
C19B C18B Mo3B 71.1(12) . . ?
C17B C18B C19B 106(3) . . ?
C17B C18B H18B 127.0 . . ?
C17B C18B Mo3B 78.4(16) . . ?
Mo3B C18B H18B 115.8 . . ?
C18B C17B H17B 122.4 . . ?
C18B C17B C21B 115(3) . . ?
C18B C17B Mo3B 69.1(16) . . ?
C21B C17B H17B 122.4 . . ?
C21B C17B Mo3B 74.2(15) . . ?
Mo3B C17B H17B 126.0 . . ?
C20B C21B H21B 126.5 . . ?
C20B C21B Mo3B 70.1(15) . . ?
C17B C21B C20B 107(3) . . ?
C17B C21B H21B 126.5 . . ?
C17B C21B Mo3B 72.9(16) . . ?
Mo3B C21B H21B 122.2 . . ?
As2B Mo3B Mo4B 59.05(17) . . ?
Sb2B Mo3B As2B 56.44(18) . . ?
Sb2B Mo3B Mo4B 49.58(18) . . ?
C20B Mo3B As2B 82.7(7) . . ?
C20B Mo3B Sb2B 136.7(8) . . ?
C20B Mo3B C17B 57.3(11) . . ?
C20B Mo3B C21B 35.9(10) . . ?
C20B Mo3B Mo4B 99.3(8) . . ?
C19B Mo3B As2B 100.7(7) . . ?
C19B Mo3B Sb2B 152.1(6) . . ?
C19B Mo3B C20B 37.0(10) . . ?
C19B Mo3B C18B 37.1(9) . . ?
C19B Mo3B C17B 56.4(9) . . ?
C19B Mo3B C21B 58.9(9) . . ?
C19B Mo3B Mo4B 136.1(8) . . ?
C18B Mo3B As2B 137.7(7) . . ?
C18B Mo3B Sb2B 161.7(7) . . ?
C18B Mo3B C20B 61.3(10) . . ?
C18B Mo3B C17B 32.5(9) . . ?
C18B Mo3B C21B 57.5(10) . . ?
C18B Mo3B Mo4B 142.7(8) . . ?
C17B Mo3B As2B 137.6(9) . . ?
C17B Mo3B Sb2B 151.1(7) . . ?
C17B Mo3B C21B 33.0(11) . . ?
C17B Mo3B Mo4B 110.4(8) . . ?
C21B Mo3B As2B 105.5(8) . . ?
C21B Mo3B Sb2B 137.2(7) . . ?
C21B Mo3B Mo4B 87.6(7) . . ?
C16B Mo3B As2B 86.3(8) . . ?
C16B Mo3B Sb2B 80.2(7) . . ?
C16B Mo3B C20B 113.7(11) . . ?
C16B Mo3B C19B 82.9(10) . . ?
C16B Mo3B C18B 88.7(10) . . ?
C16B Mo3B C17B 120.5(10) . . ?
C16B Mo3B C21B 141.2(9) . . ?
C16B Mo3B Mo4B 128.5(7) . . ?
C15 Mo3B As2B 129.3(4) . . ?
C15 Mo3B Sb2B 72.9(3) . . ?
C15 Mo3B C20B 144.2(7) . . ?
C15 Mo3B C19B 128.1(8) . . ?
C15 Mo3B C18B 92.2(7) . . ?
C15 Mo3B C17B 87.3(9) . . ?
C15 Mo3B C21B 110.6(8) . . ?
C15 Mo3B C16B 87.1(9) . . ?
C15 Mo3B Mo4B 87.9(3) . . ?
O6B C16B Mo3B 174(3) . . ?
Cl2A C107 H10A 108.8 . . ?
Cl2A C107 H10B 108.8 . . ?
Cl1A C107 Cl2A 113.9(13) . . ?
Cl1A C107 H10A 108.8 . . ?
Cl1A C107 H10B 108.8 . . ?
H10A C107 H10B 107.7 . . ?
Cl1B C108 H10C 110.4 . . ?
Cl1B C108 H10D 110.4 . . ?
Cl2B C108 Cl1B 106.7(15) . . ?
Cl2B C108 H10C 110.4 . . ?
Cl2B C108 H10D 110.4 . . ?
H10C C108 H10D 108.6 . . ?
C31B C32B H32D 109.5 . . ?
C31B C32B H32E 109.5 . . ?
C31B C32B H32F 109.5 . . ?
H32D C32B H32E 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?
O7B C22B Mo4B 172(5) . . ?
As2B Mo4B Mo3B 54.87(18) . . ?
Sb2B Mo4B As2B 56.42(18) . . ?
Sb2B Mo4B Mo3B 55.38(18) . . ?
C22B Mo4B As2B 71.7(18) . . ?
C22B Mo4B Sb2B 127.4(17) . . ?
C22B Mo4B Mo3B 89.2(16) . . ?
C22B Mo4B C25B 118.2(16) . . ?
C22B Mo4B C26B 144.0(19) . . ?
C22B Mo4B C27B 116(2) . . ?
C22B Mo4B C28B 82(2) . . ?
C22B Mo4B C24B 85.6(17) . . ?
C22B Mo4B C16 85.1(18) . . ?
C25B Mo4B As2B 152.4(6) . . ?
C25B Mo4B Sb2B 112.1(5) . . ?
C25B Mo4B Mo3B 143.7(6) . . ?
C25B Mo4B C24B 35.2(4) . . ?
C26B Mo4B As2B 144.0(7) . . ?
C26B Mo4B Sb2B 87.6(7) . . ?
C26B Mo4B Mo3B 108.4(5) . . ?
C26B Mo4B C25B 35.7(4) . . ?
C26B Mo4B C24B 60.7(8) . . ?
C27B Mo4B As2B 146.1(7) . . ?
C27B Mo4B Sb2B 103.9(6) . . ?
C27B Mo4B Mo3B 91.4(7) . . ?
C27B Mo4B C25B 56.5(9) . . ?
C27B Mo4B C26B 36.1(5) . . ?
C27B Mo4B C28B 36.1(4) . . ?
C27B Mo4B C24B 57.1(8) . . ?
C28B Mo4B As2B 146.6(5) . . ?
C28B Mo4B Sb2B 139.1(6) . . ?
C28B Mo4B Mo3B 105.4(5) . . ?
C28B Mo4B C25B 59.7(7) . . ?
C28B Mo4B C26B 63.1(9) . . ?
C28B Mo4B C24B 35.6(4) . . ?
C24B Mo4B As2B 153.3(6) . . ?
C24B Mo4B Sb2B 146.6(5) . . ?
C24B Mo4B Mo3B 141.0(5) . . ?
C16 Mo4B As2B 79.0(4) . . ?
C16 Mo4B Sb2B 92.6(4) . . ?
C16 Mo4B Mo3B 132.7(3) . . ?
C16 Mo4B C25B 76.5(7) . . ?
C16 Mo4B C26B 103.2(6) . . ?
C16 Mo4B C27B 133.0(8) . . ?
C16 Mo4B C28B 120.2(6) . . ?
C16 Mo4B C24B 85.4(6) . . ?
Mo4B C25B H25B 122.4 . . ?
C26B C25B Mo4B 71.8(16) . . ?
C26B C25B H25B 123.6 . . ?
C24B C25B Mo4B 73.7(11) . . ?
C24B C25B H25B 123.6 . . ?
C24B C25B C26B 113(2) . . ?
Mo4B C26B H26B 119.4 . . ?
C25B C26B Mo4B 72.6(16) . . ?
C25B C26B H26B 130.1 . . ?
C25B C26B C27B 100(3) . . ?
C27B C26B Mo4B 70.5(17) . . ?
C27B C26B H26B 130.1 . . ?
Mo4B C27B H27B 123.8 . . ?
C26B C27B Mo4B 73.3(17) . . ?
C26B C27B H27B 122.0 . . ?
C28B C27B Mo4B 72.4(18) . . ?
C28B C27B C26B 116(3) . . ?
C28B C27B H27B 122.0 . . ?
Mo4B C28B H28B 117.5 . . ?
C27B C28B Mo4B 71.6(18) . . ?
C27B C28B H28B 128.6 . . ?
C27B C28B C24B 103(2) . . ?
C24B C28B Mo4B 74.9(11) . . ?
C24B C28B H28B 128.6 . . ?
Mo4B C24B H24B 125.0 . . ?
C25B C24B Mo4B 71.1(11) . . ?
C25B C24B C28B 108.1(19) . . ?
C25B C24B H24B 126.0 . . ?
C28B C24B Mo4B 69.5(11) . . ?
C28B C24B H24B 126.0 . . ?
N3 Cu10 Cu11 67.3(8) . . ?
N3 Cu10 As2C 125.6(9) . . ?
N3 Cu10 Sb2C 77.2(7) . . ?
N3 Cu10 Sb2 93.4(7) . . ?
N3 Cu10 As7 123.7(8) . . ?
Cu11 Cu10 Sb2C 48.8(6) . . ?
Cu11 Cu10 Sb2 46.6(6) . . ?
Cu11 Cu10 As7 112.0(9) . . ?
As2C Cu10 Cu11 103.5(9) . . ?
As2C Cu10 Sb2C 61.5(6) . . ?
As2C Cu10 Sb2 119.3(9) . . ?
As2C Cu10 As7 109.7(8) . . ?
Sb2 Cu10 Sb2C 90.7(6) . . ?
As7 Cu10 Sb2C 147.4(9) . . ?
As7 Cu10 Sb2 65.4(5) . . ?
Sb2C Cu11 Cu10 77.6(8) . . ?
Sb2 Cu11 Cu10 73.8(8) . . ?
Sb2 Cu11 Sb2C 137.6(10) . . ?
As2C Mo3C Mo4C 55.0(4) . . ?
Sb2C Mo3C Mo4C 57.2(4) . . ?
Sb2C Mo3C As2C 63.9(5) . . ?
C16 Mo3C Mo4C 137.2(6) . . ?
C16 Mo3C As2C 106.0(6) . . ?
C16 Mo3C Sb2C 80.1(5) . . ?
As2C Mo4C Mo3C 57.9(5) . . ?
Sb2C Mo4C Mo3C 50.3(4) . . ?
Sb2C Mo4C As2C 62.5(4) . . ?
C15 Mo4C Mo3C 74.3(6) . . ?
C15 Mo4C As2C 63.5(5) . . ?
C15 Mo4C Sb2C 116.8(6) . . ?
Cu10 As2C Mo3C 115.1(8) . . ?
Cu10 As2C Mo4C 108.6(7) . . ?
Cu10 As2C Sb2C 70.5(7) . . ?
Mo4C As2C Mo3C 67.1(5) . . ?
Mo4C As2C Sb2C 58.4(4) . . ?
Sb2C As2C Mo3C 52.1(5) . . ?
Cu11 Sb2C Cu10 53.6(5) . . ?
Cu11 Sb2C Mo3C 119.9(8) . . ?
Cu11 Sb2C Mo4C 145.5(8) . . ?
Cu11 Sb2C As2C 95.5(7) . . ?
Mo3C Sb2C Cu10 105.7(6) . . ?
Mo3C Sb2C Mo4C 72.5(4) . . ?
Mo3C Sb2C As2C 64.0(5) . . ?
Mo4C Sb2C Cu10 92.8(5) . . ?
Mo4C Sb2C As2C 59.2(4) . . ?
As2C Sb2C Cu10 48.0(5) . . ?
Mo1 Sb2 Cu10 106.9(5) . . ?
Mo1 Sb2 Mo3 7.2(3) . . ?
Mo1 Sb2 Mo4 71.9(5) . . ?
Mo1 Sb2 As7 65.9(3) . . ?
Mo2 Sb2 Mo1 78.6(2) . . ?
Mo2 Sb2 Cu10 119.5(5) . . ?
Mo2 Sb2 Mo3 79.3(5) . . ?
Mo2 Sb2 Mo4 12.7(5) . . ?
Mo2 Sb2 As7 78.8(4) . . ?
Cu10 Sb2 As7 53.3(5) . . ?
Cu11 Sb2 Mo1 140.4(7) . . ?
Cu11 Sb2 Mo2 141.0(7) . . ?
Cu11 Sb2 Cu10 59.6(6) . . ?
Cu11 Sb2 Mo3 139.2(8) . . ?
Cu11 Sb2 Mo4 146.5(8) . . ?
Cu11 Sb2 As7 112.9(7) . . ?
Mo3 Sb2 Cu10 100.2(6) . . ?
Mo3 Sb2 As7 58.9(5) . . ?
Mo4 Sb2 Cu10 110.3(6) . . ?
Mo4 Sb2 Mo3 71.3(6) . . ?
Mo4 Sb2 As7 66.3(6) . . ?
C1 Mo3 Sb2 72.8(5) . . ?
C1 Mo3 Mo4 87.2(6) . . ?
C1 Mo3 As7 136.8(8) . . ?
C2 Mo3 C1 77.6(6) . . ?
C2 Mo3 Sb2 73.6(5) . . ?
C2 Mo3 Mo4 126.0(8) . . ?
C2 Mo3 As7 96.0(7) . . ?
Sb2 Mo3 Mo4 52.4(5) . . ?
Sb2 Mo3 As7 64.5(5) . . ?
As7 Mo3 Mo4 61.9(6) . . ?
Mo1 Mo4 Mo3 7.6(3) . . ?
Mo1 Mo4 As7 59.1(4) . . ?
Mo2 Mo4 Mo1 97.6(18) . . ?
Mo2 Mo4 C8 156(2) . . ?
Mo2 Mo4 C9 73.7(17) . . ?
Mo2 Mo4 C10 70.8(15) . . ?
Mo2 Mo4 C11 59.9(16) . . ?
Mo2 Mo4 Sb2 67.9(15) . . ?
Mo2 Mo4 Mo3 105.2(18) . . ?
Mo2 Mo4 As7 129.1(18) . . ?
C8 Mo4 Mo1 103.8(10) . . ?
C8 Mo4 C9 98.2(9) . . ?
C8 Mo4 C10 93.3(8) . . ?
C8 Mo4 C11 97.1(9) . . ?
C8 Mo4 Sb2 134.4(11) . . ?
C8 Mo4 Mo3 96.4(10) . . ?
C8 Mo4 As7 72.0(9) . . ?
C9 Mo4 Mo1 133.2(7) . . ?
C9 Mo4 C10 113.5(9) . . ?
C9 Mo4 C11 80.4(7) . . ?
C9 Mo4 Sb2 83.6(6) . . ?
C9 Mo4 Mo3 134.5(7) . . ?
C9 Mo4 As7 90.5(6) . . ?
C10 Mo4 Mo1 105.9(6) . . ?
C10 Mo4 C11 33.1(4) . . ?
C10 Mo4 Sb2 127.9(8) . . ?
C10 Mo4 Mo3 108.4(6) . . ?
C10 Mo4 As7 153.8(8) . . ?
C11 Mo4 Mo1 135.4(6) . . ?
C11 Mo4 Sb2 127.8(9) . . ?
C11 Mo4 Mo3 139.7(7) . . ?
C11 Mo4 As7 164.9(7) . . ?
Sb2 Mo4 Mo1 51.8(4) . . ?
Sb2 Mo4 Mo3 56.3(5) . . ?
Sb2 Mo4 As7 62.3(5) . . ?
As7 Mo4 Mo3 54.0(5) . . ?
Mo1 As7 Mo4 59.1(4) . . ?
Cu10 As7 Mo1 99.8(6) . . ?
Cu10 As7 Sb2 61.4(6) . . ?
Cu10 As7 Mo3 104.8(7) . . ?
Cu10 As7 Mo4 104.4(8) . . ?
Sb2 As7 Mo1 49.0(3) . . ?
Sb2 As7 Mo4 51.3(4) . . ?
Mo3 As7 Mo1 7.8(3) . . ?
Mo3 As7 Sb2 56.6(4) . . ?
Mo3 As7 Mo4 64.1(6) . . ?
O8 C16 Mo4A 173.8(10) . . ?
O8 C16 Mo4B 178.3(10) . . ?
O8 C16 Mo3C 169.2(9) . . ?
O5 C15 Mo3A 175.3(9) . . ?
O5 C15 Mo3B 170.1(9) . . ?
O5 C15 Mo4C 154.9(10) . . ?

loop_
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_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
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_geom_torsion_publ_flag
Mo1 C3 C7 C6 65.8(5) . . . . ?
Mo1 C3 C4 C5 -65.8(5) . . . . ?
Mo1 C7 C6 C5 62.3(5) . . . . ?
Mo1 C6 C5 C4 62.6(5) . . . . ?
Mo1 C4 C5 C6 -64.3(5) . . . . ?
Mo2 C8 Mo4 Mo1 154(6) . . . . ?
Mo2 C8 Mo4 C9 -68(5) . . . . ?
Mo2 C8 Mo4 C10 47(5) . . . . ?
Mo2 C8 Mo4 C11 14(5) . . . . ?
Mo2 C8 Mo4 Sb2 -157(6) . . . . ?
Mo2 C8 Mo4 Mo3 156(5) . . . . ?
Mo2 C8 Mo4 As7 -156(5) . . . . ?
Mo2 C10 C11 C12 -64.2(6) . . . . ?
Mo2 C10 C11 Mo4 13.0(4) . . . . ?
Mo2 C10 C14 C13 62.2(6) . . . . ?
Mo2 C11 C12 C13 -65.5(6) . . . . ?
Mo2 C14 C13 C12 62.2(6) . . . . ?
Mo2 C12 C13 C14 -64.2(6) . . . . ?
Mo4A C26A C27A C28A -63.5(16) . . . . ?
Mo4A C26A C25A C24A 62.2(12) . . . . ?
Mo4A C27A C28A C24A -58.5(15) . . . . ?
Mo4A C28A C24A C25A -70.4(11) . . . . ?
Mo4A C25A C24A C28A 70.5(11) . . . . ?
Mo3A C17A C18A C19A -61.2(12) . . . . ?
Mo3A C17A C21A C20A 62.3(11) . . . . ?
Mo3A C18A C19A C20A -66.2(12) . . . . ?
Mo3A C21A C20A C19A 61.7(11) . . . . ?
Mo3A C20A C19A C18A 66.0(12) . . . . ?
Al1 O10 C47 C52 -89.5(5) . . . . ?
Al1 O10 C47 C53 38.9(7) . . . . ?
Al1 O10 C47 C48 158.7(4) . . . . ?
Al1 O11 C59 C60 162.2(4) . . . . ?
Al1 O11 C59 C64 -84.7(6) . . . . ?
Al1 O11 C59 C65 41.8(7) . . . . ?
Al1 O9 C35 C41 37.4(7) . . . . ?
Al1 O9 C35 C40 -90.1(6) . . . . ?
Al1 O9 C35 C36 158.0(4) . . . . ?
Al2 O13 C83 C89 -36.7(7) . . . . ?
Al2 O13 C83 C84 -157.6(4) . . . . ?
Al2 O13 C83 C88 90.0(6) . . . . ?
Al2 O14 C95 C101 -40.6(9) . . . . ?
Al2 O14 C95 C100 86.4(8) . . . . ?
Al2 O14 C95 C96 -159.6(5) . . . . ?
Al2 O12 C71 C77 -40.6(9) . . . . ?
Al2 O12 C71 C76 86.0(7) . . . . ?
Al2 O12 C71 C72 -162.2(5) . . . . ?
F32 C60 C59 O11 -62.7(5) . . . . ?
F32 C60 C59 C64 -175.7(4) . . . . ?
F32 C60 C59 C65 58.9(6) . . . . ?
F25 C52 C51 F23 -171.6(4) . . . . ?
F25 C52 C51 F24 -53.0(5) . . . . ?
F25 C52 C51 C50 65.5(5) . . . . ?
F25 C52 C47 O10 -173.8(4) . . . . ?
F25 C52 C47 C53 60.9(6) . . . . ?
F25 C52 C47 C48 -60.1(6) . . . . ?
F26 C52 C51 F23 -57.1(6) . . . . ?
F26 C52 C51 F24 61.5(5) . . . . ?
F26 C52 C51 C50 180.0(4) . . . . ?
F26 C52 C47 O10 66.0(5) . . . . ?
F26 C52 C47 C53 -59.3(6) . . . . ?
F26 C52 C47 C48 179.7(4) . . . . ?
F1 Al1 O10 C47 -39.0(5) . . . . ?
F1 Al1 O11 C59 -52.0(5) . . . . ?
F1 Al1 O9 C35 -44.4(6) . . . . ?
F40 C64 C59 O11 -172.1(4) . . . . ?
F40 C64 C59 C60 -57.8(6) . . . . ?
F40 C64 C59 C65 63.9(6) . . . . ?
F37 C62 C63 F39 160.3(4) . . . . ?
F37 C62 C63 F38 45.0(6) . . . . ?
F37 C62 C63 C64 -74.3(6) . . . . ?
F35 C61 C62 F37 -41.1(6) . . . . ?
F35 C61 C62 F36 75.1(6) . . . . ?
F35 C61 C62 C63 -161.6(5) . . . . ?
F35 C61 C60 F32 -67.5(5) . . . . ?
F35 C61 C60 F33 45.3(5) . . . . ?
F35 C61 C60 C59 168.1(4) . . . . ?
F33 C60 C59 O11 -179.9(4) . . . . ?
F33 C60 C59 C64 67.1(5) . . . . ?
F33 C60 C59 C65 -58.3(5) . . . . ?
F16 C46 C41 C42 175.5(5) . . . . ?
F16 C46 C41 C35 1.5(8) . . . . ?
F16 C46 C45 F15 2.1(8) . . . . ?
F16 C46 C45 C44 -176.1(5) . . . . ?
F34 C61 C62 F37 -157.5(4) . . . . ?
F34 C61 C62 F36 -41.3(6) . . . . ?
F34 C61 C62 C63 82.1(6) . . . . ?
F34 C61 C60 F32 48.9(5) . . . . ?
F34 C61 C60 F33 161.7(4) . . . . ?
F34 C61 C60 C59 -75.5(6) . . . . ?
F31 C58 C53 C54 177.2(5) . . . . ?
F31 C58 C53 C47 2.2(8) . . . . ?
F31 C58 C57 F30 2.2(8) . . . . ?
F31 C58 C57 C56 -178.1(5) . . . . ?
F17 C48 C49 F19 165.2(4) . . . . ?
F17 C48 C49 F20 47.5(6) . . . . ?
F17 C48 C49 C50 -72.9(6) . . . . ?
F17 C48 C47 O10 -179.3(4) . . . . ?
F17 C48 C47 C52 68.3(5) . . . . ?
F17 C48 C47 C53 -57.7(6) . . . . ?
F27 C54 C55 F28 0.8(8) . . . . ?
F27 C54 C55 C56 -179.1(5) . . . . ?
F41 C64 C59 O11 67.1(5) . . . . ?
F41 C64 C59 C60 -178.6(4) . . . . ?
F41 C64 C59 C65 -56.9(6) . . . . ?
F39 C63 C64 F40 -171.6(4) . . . . ?
F39 C63 C64 F41 -57.1(6) . . . . ?
F39 C63 C64 C59 65.9(6) . . . . ?
F18 C48 C49 F19 51.4(6) . . . . ?
F18 C48 C49 F20 -66.3(6) . . . . ?
F18 C48 C49 C50 173.3(4) . . . . ?
F18 C48 C47 O10 -62.3(5) . . . . ?
F18 C48 C47 C52 -174.7(4) . . . . ?
F18 C48 C47 C53 59.3(6) . . . . ?
F77 C94 C93 F76 -1.1(9) . . . . ?
F77 C94 C93 C92 176.5(6) . . . . ?
F47 Al2 O13 C83 42.3(6) . . . . ?
F47 Al2 O14 C95 43.3(7) . . . . ?
F47 Al2 O12 C71 49.9(7) . . . . ?
F3 C36 C37 F5 52.6(6) . . . . ?
F3 C36 C37 F4 -63.3(6) . . . . ?
F3 C36 C37 C38 174.1(5) . . . . ?
F36 C62 C63 F39 41.7(6) . . . . ?
F36 C62 C63 F38 -73.6(6) . . . . ?
F36 C62 C63 C64 167.2(4) . . . . ?
F22 C50 C51 F23 162.8(4) . . . . ?
F22 C50 C51 F24 47.4(6) . . . . ?
F22 C50 C51 C52 -71.7(6) . . . . ?
F22 C50 C49 F19 -161.8(4) . . . . ?
F22 C50 C49 F20 -45.6(6) . . . . ?
F22 C50 C49 C48 75.1(6) . . . . ?
F46 C70 C69 F45 0.4(8) . . . . ?
F46 C70 C69 C68 -179.0(5) . . . . ?
F21 C50 C51 F23 44.9(6) . . . . ?
F21 C50 C51 F24 -70.4(6) . . . . ?
F21 C50 C51 C52 170.5(4) . . . . ?
F21 C50 C49 F19 -44.0(6) . . . . ?
F21 C50 C49 F20 72.2(6) . . . . ?
F21 C50 C49 C48 -167.1(5) . . . . ?
F63 C84 C85 F65 -52.7(6) . . . . ?
F63 C84 C85 F66 64.0(6) . . . . ?
F63 C84 C85 C86 -174.2(5) . . . . ?
F11 C40 C39 F9 -56.9(7) . . . . ?
F11 C40 C39 F8 61.3(6) . . . . ?
F11 C40 C39 C38 -179.4(5) . . . . ?
F42 C66 C65 C59 -3.2(9) . . . . ?
F42 C66 C65 C70 -178.2(5) . . . . ?
F42 C66 C67 F43 -0.6(8) . . . . ?
F42 C66 C67 C68 179.0(6) . . . . ?
F74 C91 C92 F75 0.2(9) . . . . ?
F74 C91 C92 C93 -179.2(6) . . . . ?
F73 C90 C91 F74 -0.9(8) . . . . ?
F73 C90 C91 C92 179.9(5) . . . . ?
F73 C90 C89 C83 6.8(9) . . . . ?
F73 C90 C89 C94 179.9(5) . . . . ?
F12 C42 C41 C46 -176.8(5) . . . . ?
F12 C42 C41 C35 -3.5(9) . . . . ?
F12 C42 C43 F13 0.4(8) . . . . ?
F12 C42 C43 C44 178.5(5) . . . . ?
F5 C37 C38 F7 -162.9(5) . . . . ?
F5 C37 C38 F6 -45.2(7) . . . . ?
F5 C37 C38 C39 77.4(7) . . . . ?
O10 Al1 O11 C59 -170.9(5) . . . . ?
O10 Al1 O9 C35 76.4(5) . . . . ?
F30 C57 C56 F29 -0.4(10) . . . . ?
F30 C57 C56 C55 -179.9(6) . . . . ?
F38 C63 C64 F40 -53.1(5) . . . . ?
F38 C63 C64 F41 61.3(5) . . . . ?
F38 C63 C64 C59 -175.7(4) . . . . ?
F15 C45 C44 F14 1.4(9) . . . . ?
F15 C45 C44 C43 -176.7(5) . . . . ?
F29 C56 C55 F28 -1.0(9) . . . . ?
F29 C56 C55 C54 178.9(5) . . . . ?
F56 C76 C75 F55 57.1(7) . . . . ?
F56 C76 C75 F54 -60.7(6) . . . . ?
F56 C76 C75 C74 -179.7(5) . . . . ?
O11 Al1 O10 C47 79.7(5) . . . . ?
O11 Al1 O9 C35 -164.7(5) . . . . ?
O11 C59 C65 C66 -129.5(5) . . . . ?
O11 C59 C65 C70 45.2(6) . . . . ?
F92 C106 C105 F91 0.8(10) . . . . ?
F92 C106 C105 C104 178.7(6) . . . . ?
F92 C106 C101 C95 -2.0(10) . . . . ?
F92 C106 C101 C102 -179.4(6) . . . . ?
F10 C40 C39 F9 -171.4(5) . . . . ?
F10 C40 C39 F8 -53.2(7) . . . . ?
F10 C40 C39 C38 66.1(7) . . . . ?
F2 C36 C37 F5 165.8(5) . . . . ?
F2 C36 C37 F4 49.9(7) . . . . ?
F2 C36 C37 C38 -72.7(7) . . . . ?
F72 C88 C87 F70 171.5(6) . . . . ?
F72 C88 C87 F69 53.6(8) . . . . ?
F72 C88 C87 C86 -66.7(7) . . . . ?
F64 C84 C85 F65 -166.1(5) . . . . ?
F64 C84 C85 F66 -49.4(7) . . . . ?
F64 C84 C85 C86 72.5(7) . . . . ?
F62 C82 C81 F61 -0.8(9) . . . . ?
F62 C82 C81 C80 177.9(6) . . . . ?
F65 C85 C86 F67 43.4(7) . . . . ?
F65 C85 C86 F68 160.5(5) . . . . ?
F65 C85 C86 C87 -78.8(7) . . . . ?
O9 Al1 O10 C47 -160.0(5) . . . . ?
O9 Al1 O11 C59 68.7(5) . . . . ?
O9 C35 C41 C46 48.6(7) . . . . ?
O9 C35 C41 C42 -124.4(6) . . . . ?
O9 C35 C40 F11 63.0(6) . . . . ?
O9 C35 C40 F10 -177.7(5) . . . . ?
O9 C35 C40 C39 -57.7(6) . . . . ?
O9 C35 C36 F3 -60.5(6) . . . . ?
O9 C35 C36 F2 -177.1(5) . . . . ?
O9 C35 C36 C37 61.5(6) . . . . ?
F70 C87 C86 F67 -46.6(7) . . . . ?
F70 C87 C86 F68 -161.9(5) . . . . ?
F70 C87 C86 C85 76.7(7) . . . . ?
F53 C74 C75 F55 -162.9(5) . . . . ?
F53 C74 C75 F54 -47.2(8) . . . . ?
F53 C74 C75 C76 71.6(7) . . . . ?
F53 C74 C73 F50 160.8(6) . . . . ?
F53 C74 C73 F51 45.1(9) . . . . ?
F53 C74 C73 C72 -75.6(7) . . . . ?
F13 C43 C44 F14 -2.5(9) . . . . ?
F13 C43 C44 C45 175.7(5) . . . . ?
O13 Al2 O14 C95 164.6(6) . . . . ?
O13 Al2 O12 C71 -70.8(6) . . . . ?
O13 C83 C89 C90 125.5(6) . . . . ?
O13 C83 C89 C94 -47.3(7) . . . . ?
O13 C83 C84 F63 63.6(6) . . . . ?
O13 C83 C84 F64 -179.1(5) . . . . ?
O13 C83 C84 C85 -59.2(7) . . . . ?
O13 C83 C88 F72 175.6(5) . . . . ?
O13 C83 C88 F71 -64.5(6) . . . . ?
O13 C83 C88 C87 57.5(7) . . . . ?
F44 C68 C67 F43 -1.2(10) . . . . ?
F44 C68 C67 C66 179.2(6) . . . . ?
F44 C68 C69 F45 1.3(9) . . . . ?
F44 C68 C69 C70 -179.2(6) . . . . ?
F66 C85 C86 F67 -73.0(7) . . . . ?
F66 C85 C86 F68 44.1(8) . . . . ?
F66 C85 C86 C87 164.8(5) . . . . ?
F57 C76 C75 F55 171.8(5) . . . . ?
F57 C76 C75 F54 53.9(6) . . . . ?
F57 C76 C75 C74 -65.1(7) . . . . ?
F71 C88 C87 F70 59.2(7) . . . . ?
F71 C88 C87 F69 -58.7(7) . . . . ?
F71 C88 C87 C86 -179.0(5) . . . . ?
F49 C72 C73 F50 -164.8(5) . . . . ?
F49 C72 C73 F51 -47.0(8) . . . . ?
F49 C72 C73 C74 72.9(7) . . . . ?
F75 C92 C93 F76 -1.0(10) . . . . ?
F75 C92 C93 C94 -178.6(6) . . . . ?
F52 C74 C75 F55 -44.2(7) . . . . ?
F52 C74 C75 F54 71.4(8) . . . . ?
F52 C74 C75 C76 -169.7(6) . . . . ?
F52 C74 C73 F50 42.3(7) . . . . ?
F52 C74 C73 F51 -73.4(8) . . . . ?
F52 C74 C73 C72 165.9(5) . . . . ?
F7 C38 C39 F9 164.9(5) . . . . ?
F7 C38 C39 F8 48.6(8) . . . . ?
F7 C38 C39 C40 -70.8(7) . . . . ?
O14 Al2 O13 C83 -78.2(6) . . . . ?
O14 Al2 O12 C71 171.0(6) . . . . ?
O14 C95 C101 C106 -44.2(10) . . . . ?
O14 C95 C101 C102 132.8(8) . . . . ?
O14 C95 C100 F87 -65.2(8) . . . . ?
O14 C95 C100 F86 172.7(8) . . . . ?
O14 C95 C100 C99 57.7(9) . . . . ?
O14 C95 C96 F78 61.8(8) . . . . ?
O14 C95 C96 F79 178.6(6) . . . . ?
O14 C95 C96 C97 -58.9(8) . . . . ?
F4 C37 C38 F7 -46.9(7) . . . . ?
F4 C37 C38 F6 70.9(7) . . . . ?
F4 C37 C38 C39 -166.6(6) . . . . ?
O12 Al2 O13 C83 162.1(5) . . . . ?
O12 Al2 O14 C95 -77.6(6) . . . . ?
O12 C71 C76 F56 -67.0(7) . . . . ?
O12 C71 C76 F57 173.7(6) . . . . ?
O12 C71 C76 C75 55.7(7) . . . . ?
O12 C71 C72 F49 179.4(5) . . . . ?
O12 C71 C72 F48 63.2(8) . . . . ?
O12 C71 C72 C73 -58.1(8) . . . . ?
F58 C78 C79 F59 1.9(10) . . . . ?
F58 C78 C79 C80 -178.6(7) . . . . ?
F85 C99 C98 F83 -42.5(9) . . . . ?
F85 C99 C98 F82 -161.3(6) . . . . ?
F85 C99 C98 C97 76.7(9) . . . . ?
F6 C38 C39 F9 46.8(7) . . . . ?
F6 C38 C39 F8 -69.5(7) . . . . ?
F6 C38 C39 C40 171.0(5) . . . . ?
F48 C72 C73 F50 -52.0(7) . . . . ?
F48 C72 C73 F51 65.8(7) . . . . ?
F48 C72 C73 C74 -174.3(5) . . . . ?
F87 C100 C99 F85 56.4(9) . . . . ?
F87 C100 C99 F84 -60.5(8) . . . . ?
F87 C100 C99 C98 -180.0(6) . . . . ?
F91 C105 C104 F90 -0.9(11) . . . . ?
F91 C105 C104 C103 178.6(7) . . . . ?
F88 C102 C101 C106 178.4(7) . . . . ?
F88 C102 C101 C95 1.3(13) . . . . ?
F88 C102 C103 F89 2.0(12) . . . . ?
F88 C102 C103 C104 -178.6(8) . . . . ?
F80 C97 C98 F83 43.6(9) . . . . ?
F80 C97 C98 F82 158.2(8) . . . . ?
F80 C97 C98 C99 -78.8(10) . . . . ?
F80 C97 C96 F78 -50.9(9) . . . . ?
F80 C97 C96 F79 -165.3(7) . . . . ?
F80 C97 C96 C95 72.5(10) . . . . ?
F69 C87 C86 F67 69.3(7) . . . . ?
F69 C87 C86 F68 -46.0(7) . . . . ?
F69 C87 C86 C85 -167.4(6) . . . . ?
F61 C81 C80 F60 0.4(12) . . . . ?
F61 C81 C80 C79 178.9(7) . . . . ?
F89 C103 C104 F90 -1.0(12) . . . . ?
F89 C103 C104 C105 179.5(7) . . . . ?
F84 C99 C98 F83 72.8(9) . . . . ?
F84 C99 C98 F82 -46.0(9) . . . . ?
F84 C99 C98 C97 -168.0(7) . . . . ?
F86 C100 C99 F85 173.5(8) . . . . ?
F86 C100 C99 F84 56.6(10) . . . . ?
F86 C100 C99 C98 -62.9(9) . . . . ?
F59 C79 C80 F60 -1.0(12) . . . . ?
F59 C79 C80 C81 -179.4(7) . . . . ?
F81 C97 C98 F83 -72.7(9) . . . . ?
F81 C97 C98 F82 41.9(12) . . . . ?
F81 C97 C98 C99 164.9(8) . . . . ?
F81 C97 C96 F78 68.2(9) . . . . ?
F81 C97 C96 F79 -46.2(11) . . . . ?
F81 C97 C96 C95 -168.5(7) . . . . ?
C58 C53 C54 F27 -178.8(5) . . . . ?
C58 C53 C54 C55 1.6(8) . . . . ?
C58 C53 C47 O10 45.4(6) . . . . ?
C58 C53 C47 C52 167.6(5) . . . . ?
C58 C53 C47 C48 -73.6(6) . . . . ?
C58 C57 C56 F29 180.0(6) . . . . ?
C58 C57 C56 C55 0.4(10) . . . . ?
C61 C62 C63 F39 -80.4(6) . . . . ?
C61 C62 C63 F38 164.3(5) . . . . ?
C61 C62 C63 C64 45.0(6) . . . . ?
C61 C60 C59 O11 58.7(6) . . . . ?
C61 C60 C59 C64 -54.3(6) . . . . ?
C61 C60 C59 C65 -179.7(4) . . . . ?
C46 C45 C44 F14 179.6(5) . . . . ?
C46 C45 C44 C43 1.5(9) . . . . ?
C62 C61 C60 F32 171.6(4) . . . . ?
C62 C61 C60 F33 -75.6(6) . . . . ?
C62 C61 C60 C59 47.2(6) . . . . ?
C62 C63 C64 F40 65.5(5) . . . . ?
C62 C63 C64 F41 179.9(4) . . . . ?
C62 C63 C64 C59 -57.1(6) . . . . ?
C60 C61 C62 F37 79.8(6) . . . . ?
C60 C61 C62 F36 -164.0(4) . . . . ?
C60 C61 C62 C63 -40.7(7) . . . . ?
C60 C59 C65 C66 111.2(6) . . . . ?
C60 C59 C65 C70 -74.1(6) . . . . ?
C66 C65 C70 F46 178.2(5) . . . . ?
C66 C65 C70 C69 -1.1(8) . . . . ?
C53 C58 C57 F30 -177.8(5) . . . . ?
C53 C58 C57 C56 1.8(10) . . . . ?
C53 C54 C55 F28 -179.5(5) . . . . ?
C53 C54 C55 C56 0.5(9) . . . . ?
C90 C91 C92 F75 179.4(6) . . . . ?
C90 C91 C92 C93 0.0(9) . . . . ?
C90 C89 C94 F77 -177.0(5) . . . . ?
C90 C89 C94 C93 0.4(8) . . . . ?
C51 C52 C47 O10 -55.7(5) . . . . ?
C51 C52 C47 C53 179.0(4) . . . . ?
C51 C52 C47 C48 58.1(5) . . . . ?
C51 C50 C49 F19 78.0(6) . . . . ?
C51 C50 C49 F20 -165.9(5) . . . . ?
C51 C50 C49 C48 -45.1(7) . . . . ?
C42 C43 C44 F14 179.4(5) . . . . ?
C42 C43 C44 C45 -2.5(9) . . . . ?
C63 C64 C59 O11 -54.7(6) . . . . ?
C63 C64 C59 C60 59.6(6) . . . . ?
C63 C64 C59 C65 -178.7(4) . . . . ?
C64 C59 C65 C66 -8.5(8) . . . . ?
C64 C59 C65 C70 166.2(5) . . . . ?
C59 C65 C70 F46 2.8(7) . . . . ?
C59 C65 C70 C69 -176.5(5) . . . . ?
C35 C40 C39 F9 64.5(7) . . . . ?
C35 C40 C39 F8 -177.3(5) . . . . ?
C35 C40 C39 C38 -58.1(7) . . . . ?
C35 C36 C37 F5 -72.2(7) . . . . ?
C35 C36 C37 F4 171.9(5) . . . . ?
C35 C36 C37 C38 49.3(7) . . . . ?
C54 C53 C47 O10 -128.9(5) . . . . ?
C54 C53 C47 C52 -6.7(7) . . . . ?
C54 C53 C47 C48 112.0(6) . . . . ?
C77 C71 C76 F56 58.0(7) . . . . ?
C77 C71 C76 F57 -61.3(7) . . . . ?
C77 C71 C76 C75 -179.3(5) . . . . ?
C77 C71 C72 F49 56.3(7) . . . . ?
C77 C71 C72 F48 -59.9(8) . . . . ?
C77 C71 C72 C73 178.8(6) . . . . ?
C77 C82 C81 F61 179.9(6) . . . . ?
C77 C82 C81 C80 -1.3(11) . . . . ?
C77 C78 C79 F59 179.2(7) . . . . ?
C77 C78 C79 C80 -1.3(11) . . . . ?
C65 C66 C67 F43 -179.9(5) . . . . ?
C65 C66 C67 C68 -0.3(10) . . . . ?
C65 C70 C69 F45 179.7(5) . . . . ?
C65 C70 C69 C68 0.3(9) . . . . ?
C49 C50 C51 F23 -77.2(6) . . . . ?
C49 C50 C51 F24 167.5(5) . . . . ?
C49 C50 C51 C52 48.4(6) . . . . ?
C49 C48 C47 O10 57.0(6) . . . . ?
C49 C48 C47 C52 -55.3(6) . . . . ?
C49 C48 C47 C53 178.6(5) . . . . ?
C41 C46 C45 F15 178.2(5) . . . . ?
C41 C46 C45 C44 -0.1(9) . . . . ?
C41 C42 C43 F13 -176.0(5) . . . . ?
C41 C42 C43 C44 2.1(9) . . . . ?
C41 C35 C40 F11 -61.4(6) . . . . ?
C41 C35 C40 F10 57.9(6) . . . . ?
C41 C35 C40 C39 177.9(5) . . . . ?
C41 C35 C36 F3 60.7(6) . . . . ?
C41 C35 C36 F2 -56.0(6) . . . . ?
C41 C35 C36 C37 -177.4(5) . . . . ?
C45 C46 C41 C42 -0.4(8) . . . . ?
C45 C46 C41 C35 -174.3(5) . . . . ?
C91 C90 C89 C83 -172.6(5) . . . . ?
C91 C90 C89 C94 0.4(8) . . . . ?
C91 C92 C93 F76 178.4(6) . . . . ?
C91 C92 C93 C94 0.8(10) . . . . ?
C83 C89 C94 F77 -3.1(8) . . . . ?
C83 C89 C94 C93 174.2(6) . . . . ?
C83 C84 C85 F65 72.6(7) . . . . ?
C83 C84 C85 F66 -170.7(5) . . . . ?
C83 C84 C85 C86 -48.8(7) . . . . ?
C83 C88 C87 F70 -64.3(8) . . . . ?
C83 C88 C87 F69 177.8(6) . . . . ?
C83 C88 C87 C86 57.5(7) . . . . ?
C40 C35 C41 C46 170.9(5) . . . . ?
C40 C35 C41 C42 -2.0(8) . . . . ?
C40 C35 C36 F3 -174.1(5) . . . . ?
C40 C35 C36 F2 69.3(6) . . . . ?
C40 C35 C36 C37 -52.2(6) . . . . ?
C89 C90 C91 F74 178.6(5) . . . . ?
C89 C90 C91 C92 -0.6(9) . . . . ?
C89 C83 C84 F63 -58.3(6) . . . . ?
C89 C83 C84 F64 59.0(6) . . . . ?
C89 C83 C84 C85 178.9(5) . . . . ?
C89 C83 C88 F72 -61.1(7) . . . . ?
C89 C83 C88 F71 58.8(6) . . . . ?
C89 C83 C88 C87 -179.1(5) . . . . ?
C89 C94 C93 F76 -178.6(6) . . . . ?
C89 C94 C93 C92 -1.0(10) . . . . ?
C47 C52 C51 F23 65.0(6) . . . . ?
C47 C52 C51 F24 -176.4(4) . . . . ?
C47 C52 C51 C50 -57.9(6) . . . . ?
C47 C53 C54 F27 -4.2(8) . . . . ?
C47 C53 C54 C55 176.1(5) . . . . ?
C47 C48 C49 F19 -70.6(6) . . . . ?
C47 C48 C49 F20 171.7(5) . . . . ?
C47 C48 C49 C50 51.3(7) . . . . ?
C84 C83 C89 C90 -113.5(6) . . . . ?
C84 C83 C89 C94 73.7(6) . . . . ?
C84 C83 C88 F72 60.1(7) . . . . ?
C84 C83 C88 F71 179.9(5) . . . . ?
C84 C83 C88 C87 -58.0(7) . . . . ?
C84 C85 C86 F67 165.6(5) . . . . ?
C84 C85 C86 F68 -77.3(7) . . . . ?
C84 C85 C86 C87 43.5(7) . . . . ?
C57 C58 C53 C54 -2.7(8) . . . . ?
C57 C58 C53 C47 -177.8(5) . . . . ?
C57 C56 C55 F28 178.5(6) . . . . ?
C57 C56 C55 C54 -1.6(9) . . . . ?
C8 Mo2 Mo4 Mo1 -154(5) . . . . ?
C8 Mo2 Mo4 C9 73(5) . . . . ?
C8 Mo2 Mo4 C10 -50(5) . . . . ?
C8 Mo2 Mo4 C11 -16(5) . . . . ?
C8 Mo2 Mo4 Sb2 162(5) . . . . ?
C8 Mo2 Mo4 Mo3 -155(6) . . . . ?
C8 Mo2 Mo4 As7 150(7) . . . . ?
C67 C66 C65 C59 176.1(6) . . . . ?
C67 C66 C65 C70 1.1(8) . . . . ?
C67 C68 C69 F45 -178.8(6) . . . . ?
C67 C68 C69 C70 0.6(9) . . . . ?
C43 C42 C41 C46 -0.6(8) . . . . ?
C43 C42 C41 C35 172.7(5) . . . . ?
C69 C68 C67 F43 179.0(6) . . . . ?
C69 C68 C67 C66 -0.6(10) . . . . ?
C36 C35 C41 C46 -71.0(6) . . . . ?
C36 C35 C41 C42 116.1(6) . . . . ?
C36 C35 C40 F11 177.5(4) . . . . ?
C36 C35 C40 F10 -63.2(6) . . . . ?
C36 C35 C40 C39 56.9(6) . . . . ?
C36 C37 C38 F7 75.2(7) . . . . ?
C36 C37 C38 F6 -167.0(5) . . . . ?
C36 C37 C38 C39 -44.4(8) . . . . ?
C37 C38 C39 F9 -76.4(7) . . . . ?
C37 C38 C39 F8 167.3(6) . . . . ?
C37 C38 C39 C40 47.8(8) . . . . ?
C71 C77 C82 F62 -1.9(9) . . . . ?
C71 C77 C82 C81 177.3(6) . . . . ?
C71 C77 C78 F58 1.6(10) . . . . ?
C71 C77 C78 C79 -175.5(6) . . . . ?
C71 C76 C75 F55 -65.7(7) . . . . ?
C71 C76 C75 F54 176.4(5) . . . . ?
C71 C76 C75 C74 57.5(7) . . . . ?
C71 C72 C73 F50 71.8(8) . . . . ?
C71 C72 C73 F51 -170.4(6) . . . . ?
C71 C72 C73 C74 -50.5(8) . . . . ?
C76 C71 C72 F49 -68.3(7) . . . . ?
C76 C71 C72 F48 175.5(6) . . . . ?
C76 C71 C72 C73 54.3(8) . . . . ?
C106 C105 C104 F90 -178.9(7) . . . . ?
C106 C105 C104 C103 0.6(11) . . . . ?
C9 Mo2 Mo4 Mo1 132.9(5) . . . . ?
C9 Mo2 Mo4 C8 -73(5) . . . . ?
C9 Mo2 Mo4 C10 -122.8(4) . . . . ?
C9 Mo2 Mo4 C11 -88.2(6) . . . . ?
C9 Mo2 Mo4 Sb2 89.6(4) . . . . ?
C9 Mo2 Mo4 Mo3 132.7(7) . . . . ?
C9 Mo2 Mo4 As7 77.0(18) . . . . ?
C3 C7 C6 Mo1 -63.2(5) . . . . ?
C3 C7 C6 C5 -0.9(8) . . . . ?
C3 C4 C5 Mo1 63.7(5) . . . . ?
C3 C4 C5 C6 -0.6(9) . . . . ?
C82 C77 C71 O12 -45.9(8) . . . . ?
C82 C77 C71 C76 -167.3(6) . . . . ?
C82 C77 C71 C72 74.2(7) . . . . ?
C82 C77 C78 F58 177.3(6) . . . . ?
C82 C77 C78 C79 0.2(10) . . . . ?
C82 C81 C80 F60 -178.3(7) . . . . ?
C82 C81 C80 C79 0.1(11) . . . . ?
C95 C100 C99 F85 -66.1(10) . . . . ?
C95 C100 C99 F84 176.9(7) . . . . ?
C95 C100 C99 C98 57.4(9) . . . . ?
C10 Mo2 Mo4 Mo1 -104.3(5) . . . . ?
C10 Mo2 Mo4 C8 50(5) . . . . ?
C10 Mo2 Mo4 C9 122.8(4) . . . . ?
C10 Mo2 Mo4 C11 34.5(5) . . . . ?
C10 Mo2 Mo4 Sb2 -147.6(5) . . . . ?
C10 Mo2 Mo4 Mo3 -104.6(8) . . . . ?
C10 Mo2 Mo4 As7 -160.2(16) . . . . ?
C10 C11 C12 Mo2 64.3(6) . . . . ?
C10 C11 C12 C13 -1.2(10) . . . . ?
C10 C14 C13 Mo2 -60.9(5) . . . . ?
C10 C14 C13 C12 1.3(9) . . . . ?
C78 C77 C71 O12 129.6(7) . . . . ?
C78 C77 C71 C76 8.3(9) . . . . ?
C78 C77 C71 C72 -110.2(8) . . . . ?
C78 C77 C82 F62 -178.1(6) . . . . ?
C78 C77 C82 C81 1.1(10) . . . . ?
C78 C79 C80 F60 179.5(7) . . . . ?
C78 C79 C80 C81 1.1(11) . . . . ?
C88 C83 C89 C90 5.3(8) . . . . ?
C88 C83 C89 C94 -167.5(5) . . . . ?
C88 C83 C84 F63 176.2(5) . . . . ?
C88 C83 C84 F64 -66.6(6) . . . . ?
C88 C83 C84 C85 53.4(6) . . . . ?
C88 C87 C86 F67 -170.7(5) . . . . ?
C88 C87 C86 F68 74.0(7) . . . . ?
C88 C87 C86 C85 -47.4(8) . . . . ?
C7 C3 C4 Mo1 65.8(5) . . . . ?
C7 C3 C4 C5 0.0(8) . . . . ?
C7 C6 C5 Mo1 -61.7(5) . . . . ?
C7 C6 C5 C4 0.9(9) . . . . ?
C102 C103 C104 F90 179.6(8) . . . . ?
C102 C103 C104 C105 0.1(12) . . . . ?
C72 C71 C76 F56 179.3(6) . . . . ?
C72 C71 C76 F57 60.0(8) . . . . ?
C72 C71 C76 C75 -58.0(7) . . . . ?
C105 C106 C101 C95 177.3(7) . . . . ?
C105 C106 C101 C102 -0.1(11) . . . . ?
C75 C74 C73 F50 -79.7(8) . . . . ?
C75 C74 C73 F51 164.6(7) . . . . ?
C75 C74 C73 C72 43.9(8) . . . . ?
C73 C74 C75 F55 78.5(7) . . . . ?
C73 C74 C75 F54 -165.9(6) . . . . ?
C73 C74 C75 C76 -47.0(9) . . . . ?
C101 C106 C105 F91 -178.6(7) . . . . ?
C101 C106 C105 C104 -0.6(11) . . . . ?
C101 C95 C100 F87 59.4(8) . . . . ?
C101 C95 C100 F86 -62.7(10) . . . . ?
C101 C95 C100 C99 -177.7(7) . . . . ?
C101 C95 C96 F78 -59.4(8) . . . . ?
C101 C95 C96 F79 57.3(7) . . . . ?
C101 C95 C96 C97 179.8(7) . . . . ?
C101 C102 C103 F89 179.7(8) . . . . ?
C101 C102 C103 C104 -0.8(14) . . . . ?
C100 C95 C101 C106 -165.8(7) . . . . ?
C100 C95 C101 C102 11.2(11) . . . . ?
C100 C95 C96 F78 175.5(6) . . . . ?
C100 C95 C96 F79 -67.8(7) . . . . ?
C100 C95 C96 C97 54.8(8) . . . . ?
C100 C99 C98 F83 -168.3(7) . . . . ?
C100 C99 C98 F82 72.9(8) . . . . ?
C100 C99 C98 C97 -49.2(10) . . . . ?
C11 Mo2 Mo4 Mo1 -138.8(5) . . . . ?
C11 Mo2 Mo4 C8 16(5) . . . . ?
C11 Mo2 Mo4 C9 88.2(6) . . . . ?
C11 Mo2 Mo4 C10 -34.5(5) . . . . ?
C11 Mo2 Mo4 Sb2 177.9(9) . . . . ?
C11 Mo2 Mo4 Mo3 -139.1(6) . . . . ?
C11 Mo2 Mo4 As7 165.2(13) . . . . ?
C11 C10 C14 Mo2 -64.2(5) . . . . ?
C11 C10 C14 C13 -2.0(9) . . . . ?
C11 C12 C13 Mo2 64.1(6) . . . . ?
C11 C12 C13 C14 0.0(10) . . . . ?
C103 C102 C101 C106 0.8(12) . . . . ?
C103 C102 C101 C95 -176.3(8) . . . . ?
C14 Mo2 Mo4 Mo1 -75.4(12) . . . . ?
C14 Mo2 Mo4 C8 79(5) . . . . ?
C14 Mo2 Mo4 C9 151.7(10) . . . . ?
C14 Mo2 Mo4 C10 28.9(8) . . . . ?
C14 Mo2 Mo4 C11 63.4(9) . . . . ?
C14 Mo2 Mo4 Sb2 -118.7(12) . . . . ?
C14 Mo2 Mo4 Mo3 -75.7(13) . . . . ?
C14 Mo2 Mo4 As7 -131.4(13) . . . . ?
C14 C10 C11 Mo2 66.1(5) . . . . ?
C14 C10 C11 C12 2.0(9) . . . . ?
C14 C10 C11 Mo4 79.1(7) . . . . ?
C26A C27A C28A Mo4A 66.1(15) . . . . ?
C26A C27A C28A C24A 8(3) . . . . ?
C26A C25A C24A Mo4A -67.3(16) . . . . ?
C26A C25A C24A C28A 3(2) . . . . ?
C4 C3 C7 Mo1 -65.3(5) . . . . ?
C4 C3 C7 C6 0.5(8) . . . . ?
C27A C26A C25A Mo4A -60.8(18) . . . . ?
C27A C26A C25A C24A 1(3) . . . . ?
C27A C28A C24A Mo4A 63(2) . . . . ?
C27A C28A C24A C25A -7(2) . . . . ?
C12 Mo2 Mo4 Mo1 -149.1(17) . . . . ?
C12 Mo2 Mo4 C8 5(7) . . . . ?
C12 Mo2 Mo4 C9 78(2) . . . . ?
C12 Mo2 Mo4 C10 -45(2) . . . . ?
C12 Mo2 Mo4 C11 -10.3(16) . . . . ?
C12 Mo2 Mo4 Sb2 168(2) . . . . ?
C12 Mo2 Mo4 Mo3 -149.4(16) . . . . ?
C12 Mo2 Mo4 As7 154.9(10) . . . . ?
C13 Mo2 Mo4 Mo1 -81(4) . . . . ?
C13 Mo2 Mo4 C8 73(7) . . . . ?
C13 Mo2 Mo4 C9 146(3) . . . . ?
C13 Mo2 Mo4 C10 23(3) . . . . ?
C13 Mo2 Mo4 C11 58(3) . . . . ?
C13 Mo2 Mo4 Sb2 -124(4) . . . . ?
C13 Mo2 Mo4 Mo3 -81(4) . . . . ?
C13 Mo2 Mo4 As7 -137(2) . . . . ?
C98 C97 C96 F78 -172.3(6) . . . . ?
C98 C97 C96 F79 73.4(9) . . . . ?
C98 C97 C96 C95 -48.9(9) . . . . ?
C96 C95 C101 C106 74.6(8) . . . . ?
C96 C95 C101 C102 -108.4(9) . . . . ?
C96 C95 C100 F87 179.9(6) . . . . ?
C96 C95 C100 F86 57.8(10) . . . . ?
C96 C95 C100 C99 -57.2(8) . . . . ?
C96 C97 C98 F83 166.8(6) . . . . ?
C96 C97 C98 F82 -78.5(10) . . . . ?
C96 C97 C98 C99 44.4(10) . . . . ?
C25A C26A C27A Mo4A 58.3(18) . . . . ?
C25A C26A C27A C28A -5(3) . . . . ?
C17A C18A C19A Mo3A 60.7(12) . . . . ?
C17A C18A C19A C20A -5.5(18) . . . . ?
C17A C21A C20A Mo3A -61.0(11) . . . . ?
C17A C21A C20A C19A 0.7(17) . . . . ?
C18A C17A C21A Mo3A -66.2(11) . . . . ?
C18A C17A C21A C20A -3.9(17) . . . . ?
C21A C17A C18A Mo3A 66.9(10) . . . . ?
C21A C17A C18A C19A 5.7(17) . . . . ?
C21A C20A C19A Mo3A -62.9(11) . . . . ?
C21A C20A C19A C18A 3.0(18) . . . . ?
C20B C19B C18B C17B 5(2) . . . . ?
C20B C19B C18B Mo3B -66.3(14) . . . . ?
C19B C20B C21B C17B -1(2) . . . . ?
C19B C20B C21B Mo3B 62.6(14) . . . . ?
C19B C18B C17B C21B -6(3) . . . . ?
C19B C18B C17B Mo3B -66.3(14) . . . . ?
C18B C17B C21B C20B 5(3) . . . . ?
C18B C17B C21B Mo3B -57(2) . . . . ?
C21B C20B C19B C18B -2(2) . . . . ?
C21B C20B C19B Mo3B -66.5(15) . . . . ?
Mo3B C20B C19B C18B 64.4(13) . . . . ?
Mo3B C20B C21B C17B -64.0(16) . . . . ?
Mo3B C19B C18B C17B 71.4(17) . . . . ?
Mo3B C18B C17B C21B 59.8(19) . . . . ?
Mo3B C17B C21B C20B 62.2(16) . . . . ?
Mo4B C25B C26B C27B -65.8(16) . . . . ?
Mo4B C25B C24B C28B 60.0(12) . . . . ?
Mo4B C26B C27B C28B -60(2) . . . . ?
Mo4B C27B C28B C24B -69.1(13) . . . . ?
Mo4B C28B C24B C25B -61.0(13) . . . . ?
C25B C26B C27B Mo4B 67.4(16) . . . . ?
C25B C26B C27B C28B 7(3) . . . . ?
C26B C25B C24B Mo4B -61.5(18) . . . . ?
C26B C25B C24B C28B -2(2) . . . . ?
C26B C27B C28B Mo4B 61(2) . . . . ?
C26B C27B C28B C24B -8(3) . . . . ?
C27B C28B C24B Mo4B 66.6(19) . . . . ?
C27B C28B C24B C25B 6(2) . . . . ?
C24B C25B C26B Mo4B 62.7(15) . . . . ?
C24B C25B C26B C27B -3(3) . . . . ?
Mo3C Mo4C C15 O5 -162(2) . . . . ?
As2C Mo4C C15 O5 -100(2) . . . . ?
Sb2C Mo4C C15 O5 -134(2) . . . . ?
Sb2 Mo2 Mo4 Mo1 43.3(7) . . . . ?
Sb2 Mo2 Mo4 C8 -162(5) . . . . ?
Sb2 Mo2 Mo4 C9 -89.6(4) . . . . ?
Sb2 Mo2 Mo4 C10 147.6(5) . . . . ?
Sb2 Mo2 Mo4 C11 -177.9(9) . . . . ?
Sb2 Mo2 Mo4 Mo3 43.0(10) . . . . ?
Sb2 Mo2 Mo4 As7 -13(2) . . . . ?
Mo4 C10 C11 Mo2 -13.0(4) . . . . ?
Mo4 C10 C11 C12 -77.1(7) . . . . ?
Mo4 C10 C14 Mo2 10.2(5) . . . . ?
Mo4 C10 C14 C13 72.4(8) . . . . ?
Mo4 C11 C12 Mo2 -2.3(4) . . . . ?
Mo4 C11 C12 C13 -67.8(7) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 302 electrons were 
found in a volume of 1254Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1.8[CH2Cl2] per formula unit 
which account for 302 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 1.000 613.2 150.7 '3.6 CH2Cl2'
2 0.133 0.229 0.463 7.2 0.0 ?
3 0.500 0.000 0.500 613.2 150.7 '3.6 CH2Cl2'
4 0.367 0.729 0.037 7.2 0.8 ?
5 0.633 0.271 0.963 7.2 0.0 ?
6 0.867 0.771 0.537 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
- B-factor correction
;
