#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7008378
loop_
_publ_author_name
'Novio, Fernando'
'Mas-Ballesté, Rubén'
'Gallardo, Iluminada'
'González-Duarte, Pilar'
'Lledós, Agustí'
'Vila, Neus'
_publ_section_title
;
 Influence of the terminal ligands on the redox properties of the
 {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As)
 complexes and on their reactivity towards metal centres, protic acids
 and organic electrophiles.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2742
_journal_page_last               2753
_journal_paper_doi               10.1039/b502196k
_journal_year                    2005
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety
'C104 H96 As8 Cu Pt4 S4, 2(B F4), C2 H6 O, H2 O'
_chemical_formula_sum            'C106 H104 As8 B2 Cu F8 O2 Pt4 S4'
_chemical_formula_weight         3155.01
_chemical_name_systematic
;
tetrakis((μ₃-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-copper(ii)
bis(tetrafluoroborate) ethanol water solvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2005-02-02T10:47:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 112.152(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.419(4)
_cell_length_b                   14.858(2)
_cell_length_c                   29.009(4)
_cell_measurement_reflns_used    922
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      2.49
_cell_volume                     10546(3)
_computing_cell_refinement       'SMART (Bruker AXS)'
_computing_data_collection       'SMART (Bruker AXS)'
_computing_data_reduction        'SAINT+ (Bruker AXS)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1034
_diffrn_reflns_av_unetI/netI     0.1194
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            90003
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    8.118
_exptl_absorpt_correction_T_max  0.522
_exptl_absorpt_correction_T_min  0.295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick,G.M. (1997). University of Gottingen, Germany.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6028
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.695
_refine_diff_density_min         -1.668
_refine_diff_density_rms         0.361
_refine_ls_extinction_coef       0.00092(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         21676
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      0.907
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0903P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1636
_reflns_number_gt                11334
_reflns_number_total             21676
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502196k.txt
_cod_data_source_block           ub08fb1n
_cod_original_cell_volume        10547(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7008378
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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.24081(6) 0.37237(11) 0.24593(6) 0.0350(4) Uani 1 1 d . . .
Pt1 Pt 0.20755(2) 0.19441(3) 0.20262(2) 0.03011(14) Uani 1 1 d . . .
Pt2 Pt 0.29923(2) 0.21718(3) 0.31315(2) 0.03135(14) Uani 1 1 d . . .
Pt3 Pt 0.22072(2) 0.55423(3) 0.28268(2) 0.03329(15) Uani 1 1 d . . .
Pt4 Pt 0.23553(2) 0.53592(4) 0.18097(2) 0.03613(15) Uani 1 1 d . . .
As1 As 0.21382(5) 0.12778(9) 0.13096(5) 0.0326(3) Uani 1 1 d . B .
As2 As 0.11571(5) 0.14473(9) 0.17000(5) 0.0325(3) Uani 1 1 d . . .
As3 As 0.39537(5) 0.20169(10) 0.34717(6) 0.0383(3) Uani 1 1 d . . .
As4 As 0.30397(5) 0.17315(9) 0.39324(5) 0.0336(3) Uani 1 1 d . . .
As5 As 0.27225(6) 0.64060(9) 0.35342(6) 0.0388(4) Uani 1 1 d . . .
As6 As 0.14494(6) 0.59446(9) 0.30243(5) 0.0338(3) Uani 1 1 d . . .
As7 As 0.30682(6) 0.58581(9) 0.15699(6) 0.0380(3) Uani 1 1 d . . .
As8 As 0.17676(6) 0.58211(10) 0.10036(6) 0.0396(4) Uani 1 1 d . . .
S1 S 0.29333(13) 0.5029(2) 0.26271(13) 0.0342(8) Uani 1 1 d . . .
S2 S 0.17048(14) 0.4754(2) 0.20934(13) 0.0370(8) Uani 1 1 d . . .
S3 S 0.20576(13) 0.2516(2) 0.27712(12) 0.0314(7) Uani 1 1 d . . .
S4 S 0.29441(13) 0.2579(2) 0.23358(13) 0.0338(8) Uani 1 1 d . . .
C1 C 0.1498(5) 0.0535(9) 0.0996(5) 0.041(3) Uani 1 1 d . . .
H1A H 0.1446 0.0416 0.0646 0.049 Uiso 1 1 calc R . .
H1B H 0.1544 -0.0049 0.1172 0.049 Uiso 1 1 calc R . .
C2 C 0.0992(5) 0.1032(8) 0.1017(5) 0.034(3) Uani 1 1 d . . .
H2A H 0.0674 0.062 0.0914 0.041 Uiso 1 1 calc R . .
H2B H 0.0901 0.1552 0.0787 0.041 Uiso 1 1 calc R . .
C3 C 0.4169(6) 0.1813(10) 0.4178(6) 0.049(4) Uani 1 1 d . . .
H3A H 0.4529 0.1508 0.4308 0.059 Uiso 1 1 calc R . .
H3B H 0.4209 0.24 0.4351 0.059 Uiso 1 1 calc R . .
C4 C 0.3759(5) 0.1250(10) 0.4288(6) 0.046(4) Uani 1 1 d . . .
H4A H 0.384 0.1254 0.465 0.055 Uiso 1 1 calc R . .
H4B H 0.3778 0.0621 0.4184 0.055 Uiso 1 1 calc R . .
C5 C 0.2236(6) 0.6769(10) 0.3861(5) 0.046(4) Uani 1 1 d . . .
H5A H 0.2217 0.6284 0.4088 0.055 Uiso 1 1 calc R . .
H5B H 0.2383 0.7315 0.4062 0.055 Uiso 1 1 calc R . .
C6 C 0.1660(6) 0.6964(9) 0.3481(6) 0.053(4) Uani 1 1 d . . .
H6A H 0.1659 0.7526 0.3298 0.063 Uiso 1 1 calc R . .
H6B H 0.1401 0.7033 0.3652 0.063 Uiso 1 1 calc R . .
C7 C 0.2213(5) 0.6193(10) 0.0620(5) 0.043(4) Uani 1 1 d . . .
H7A H 0.2292 0.5666 0.045 0.052 Uiso 1 1 calc R . .
H7B H 0.2012 0.6643 0.0365 0.052 Uiso 1 1 calc R . .
C8 C 0.2751(6) 0.6603(10) 0.0987(6) 0.051(4) Uani 1 1 d . . .
H8A H 0.2677 0.721 0.1089 0.061 Uiso 1 1 calc R . .
H8B H 0.3013 0.6668 0.082 0.061 Uiso 1 1 calc R . .
C9 C 0.2135(5) 0.2085(10) 0.0800(5) 0.039(3) Uani 1 1 d . . .
C10 C 0.2278(7) 0.2960(9) 0.0920(6) 0.050(4) Uani 1 1 d . . .
H10 H 0.2369 0.3162 0.1253 0.06 Uiso 1 1 calc R . .
C11 C 0.2291(7) 0.3561(11) 0.0554(6) 0.059(5) Uani 1 1 d . . .
H11 H 0.2406 0.4164 0.0643 0.07 Uiso 1 1 calc R . .
C12 C 0.2142(6) 0.3296(10) 0.0073(6) 0.047(4) Uani 1 1 d . . .
H12 H 0.2148 0.3709 -0.0175 0.056 Uiso 1 1 calc R . .
C13 C 0.1986(7) 0.2431(9) -0.0047(5) 0.049(4) Uani 1 1 d . . .
H13 H 0.1873 0.2244 -0.0384 0.059 Uiso 1 1 calc R . .
C14 C 0.1986(6) 0.1824(10) 0.0305(6) 0.049(4) Uani 1 1 d . . .
H14 H 0.1883 0.1218 0.0212 0.059 Uiso 1 1 calc R . .
C15 C 0.2712(5) 0.0437(9) 0.1384(5) 0.036(3) Uiso 1 1 d . . .
C18 C 0.3466(7) -0.0974(12) 0.1529(7) 0.066(5) Uiso 1 1 d . . .
H18 H 0.3711 -0.146 0.1564 0.079 Uiso 1 1 calc R A 1
C16 C 0.2772(14) -0.021(2) 0.1697(12) 0.053(8) Uiso 0.5 1 d P B 1
H16 H 0.2547 -0.0223 0.1887 0.064 Uiso 0.5 1 calc PR B 1
C17 C 0.3174(16) -0.091(3) 0.1766(15) 0.076(11) Uiso 0.5 1 d P B 1
H17 H 0.3214 -0.1344 0.2016 0.091 Uiso 0.5 1 calc PR B 1
C19 C 0.3392(17) -0.018(3) 0.1166(15) 0.084(12) Uiso 0.5 1 d P B 1
H19 H 0.3606 -0.0171 0.0966 0.101 Uiso 0.5 1 calc PR B 1
C20 C 0.3033(12) 0.049(2) 0.1123(11) 0.047(7) Uiso 0.5 1 d P B 1
H20 H 0.301 0.0994 0.0912 0.056 Uiso 0.5 1 calc PR B 1
C21 C 0.3085(13) 0.013(2) 0.1898(12) 0.050(8) Uiso 0.5 1 d P B 2
H21 H 0.3053 0.043 0.2175 0.06 Uiso 0.5 1 calc PR B 2
C22 C 0.3457(15) -0.052(2) 0.1991(14) 0.064(10) Uiso 0.5 1 d P B 2
H22 H 0.3694 -0.069 0.2317 0.077 Uiso 0.5 1 calc PR B 2
C23 C 0.3155(12) -0.0795(19) 0.1106(11) 0.042(7) Uiso 0.5 1 d P B 2
H23 H 0.3194 -0.1099 0.0833 0.05 Uiso 0.5 1 calc PR B 2
C24 C 0.2741(13) -0.014(2) 0.1017(12) 0.053(8) Uiso 0.5 1 d P B 2
H24 H 0.2469 -0.0098 0.0692 0.063 Uiso 0.5 1 calc PR B 2
C25 C 0.1006(5) 0.0409(9) 0.2046(5) 0.036(3) Uani 1 1 d . . .
C26 C 0.1421(6) 0.0098(9) 0.2465(5) 0.040(3) Uani 1 1 d . . .
H26 H 0.1767 0.0387 0.259 0.047 Uiso 1 1 calc R . .
C27 C 0.1319(6) -0.0650(9) 0.2699(5) 0.039(3) Uani 1 1 d . . .
H27 H 0.16 -0.0879 0.2988 0.047 Uiso 1 1 calc R . .
C28 C 0.0817(6) -0.1071(10) 0.2520(6) 0.046(4) Uani 1 1 d . . .
H28 H 0.0753 -0.1589 0.2682 0.055 Uiso 1 1 calc R . .
C29 C 0.0418(6) -0.0735(10) 0.2110(6) 0.051(4) Uani 1 1 d . . .
H29 H 0.007 -0.1019 0.1995 0.061 Uiso 1 1 calc R . .
C30 C 0.0491(6) -0.0001(10) 0.1852(5) 0.043(4) Uani 1 1 d . . .
H30 H 0.0208 0.0214 0.1559 0.052 Uiso 1 1 calc R . .
C31 C 0.0571(6) 0.2299(9) 0.1618(5) 0.038(3) Uani 1 1 d . . .
C32 C 0.0681(6) 0.3054(10) 0.1921(6) 0.051(4) Uani 1 1 d . . .
H32 H 0.1035 0.3141 0.2169 0.061 Uiso 1 1 calc R . .
C33 C 0.0267(7) 0.3688(11) 0.1860(6) 0.063(5) Uani 1 1 d . . .
H33 H 0.0332 0.4198 0.2072 0.076 Uiso 1 1 calc R . .
C34 C -0.0235(7) 0.3554(11) 0.1486(6) 0.057(4) Uani 1 1 d . . .
H34 H -0.0509 0.4 0.1433 0.068 Uiso 1 1 calc R . .
C35 C -0.0363(7) 0.2794(11) 0.1178(7) 0.058(4) Uani 1 1 d . . .
H35 H -0.0718 0.2699 0.0934 0.069 Uiso 1 1 calc R . .
C36 C 0.0068(5) 0.2173(10) 0.1251(5) 0.043(4) Uani 1 1 d . . .
H36 H 0.0005 0.166 0.1041 0.052 Uiso 1 1 calc R . .
C37 C 0.4378(6) 0.3059(9) 0.3428(5) 0.042(4) Uani 1 1 d . . .
C38 C 0.4133(5) 0.3814(8) 0.3157(6) 0.041(4) Uani 1 1 d . . .
H38 H 0.375 0.3817 0.2975 0.049 Uiso 1 1 calc R . .
C39 C 0.4439(7) 0.4567(10) 0.3148(6) 0.058(4) Uani 1 1 d . . .
H39 H 0.4271 0.5078 0.2953 0.069 Uiso 1 1 calc R . .
C40 C 0.4996(7) 0.4555(13) 0.3430(7) 0.068(5) Uani 1 1 d . . .
H40 H 0.5211 0.5073 0.3441 0.081 Uiso 1 1 calc R . .
C41 C 0.5241(7) 0.3787(13) 0.3696(7) 0.064(5) Uani 1 1 d . . .
H41 H 0.5626 0.3785 0.3873 0.077 Uiso 1 1 calc R . .
C42 C 0.4947(5) 0.3035(11) 0.3713(5) 0.049(4) Uani 1 1 d . . .
H42 H 0.5117 0.2524 0.3907 0.059 Uiso 1 1 calc R . .
C43 C 0.4277(6) 0.1062(10) 0.3201(8) 0.057(5) Uani 1 1 d . . .
C44 C 0.4633(9) 0.0483(14) 0.3513(10) 0.100(8) Uani 1 1 d . . .
H44 H 0.4705 0.0496 0.386 0.12 Uiso 1 1 calc R . .
C45 C 0.4906(12) -0.0165(16) 0.3309(11) 0.123(12) Uani 1 1 d . . .
H45 H 0.515 -0.0595 0.3522 0.147 Uiso 1 1 calc R . .
C46 C 0.4817(11) -0.0155(15) 0.2832(14) 0.128(13) Uani 1 1 d . . .
H46 H 0.4973 -0.0595 0.2688 0.153 Uiso 1 1 calc R . .
C47 C 0.4508(14) 0.047(2) 0.2567(13) 0.173(16) Uani 1 1 d . . .
H47 H 0.4484 0.0537 0.2233 0.208 Uiso 1 1 calc R . .
C48 C 0.4201(12) 0.1081(18) 0.2740(9) 0.138(12) Uani 1 1 d . . .
H48 H 0.3947 0.1488 0.2519 0.165 Uiso 1 1 calc R . .
C49 C 0.2541(5) 0.0837(9) 0.4009(5) 0.035(3) Uani 1 1 d . . .
C50 C 0.1988(5) 0.0946(10) 0.3765(5) 0.042(3) Uani 1 1 d . . .
H50 H 0.1848 0.1455 0.3558 0.05 Uiso 1 1 calc R . .
C51 C 0.1632(5) 0.0300(9) 0.3825(5) 0.039(3) Uani 1 1 d . . .
H51 H 0.125 0.0362 0.3646 0.047 Uiso 1 1 calc R . .
C53 C 0.2388(6) -0.0517(9) 0.4381(5) 0.039(3) Uani 1 1 d . . .
H53 H 0.2526 -0.1023 0.4591 0.046 Uiso 1 1 calc R . .
C54 C 0.2752(6) 0.0101(10) 0.4326(5) 0.041(4) Uani 1 1 d . . .
H54 H 0.3135 0.0029 0.4499 0.05 Uiso 1 1 calc R . .
C63 C 0.4000(8) 0.5915(14) 0.4913(7) 0.073(6) Uani 1 1 d . . .
H63 H 0.4136 0.6195 0.5231 0.088 Uiso 1 1 calc R . .
C65 C 0.4049(7) 0.4804(11) 0.4352(7) 0.058(4) Uani 1 1 d . . .
H65 H 0.4222 0.4282 0.4289 0.07 Uiso 1 1 calc R . .
C52 C 0.1824(6) -0.0422(9) 0.4137(5) 0.043(4) Uani 1 1 d . . .
H52 H 0.158 -0.0846 0.4186 0.052 Uiso 1 1 calc R . .
C55 C 0.2997(5) 0.2744(9) 0.4331(5) 0.036(3) Uani 1 1 d . . .
C56 C 0.2624(6) 0.3432(9) 0.4086(5) 0.042(4) Uani 1 1 d . . .
H56 H 0.2404 0.3375 0.3742 0.05 Uiso 1 1 calc R . .
C57 C 0.2579(6) 0.4184(9) 0.4345(5) 0.039(3) Uani 1 1 d . . .
H57 H 0.2327 0.4648 0.4184 0.047 Uiso 1 1 calc R . .
C58 C 0.2914(7) 0.4251(10) 0.4852(6) 0.051(4) Uani 1 1 d . . .
H58 H 0.2882 0.4761 0.5037 0.061 Uiso 1 1 calc R . .
C59 C 0.3283(7) 0.3602(11) 0.5082(6) 0.064(5) Uani 1 1 d . . .
H59 H 0.3522 0.3674 0.5419 0.077 Uiso 1 1 calc R . .
C60 C 0.3308(6) 0.2840(11) 0.4825(6) 0.053(4) Uani 1 1 d . . .
H60 H 0.3549 0.2367 0.4995 0.064 Uiso 1 1 calc R . .
C61 C 0.3344(6) 0.5917(9) 0.4055(5) 0.038(3) Uani 1 1 d . . .
C62 C 0.3543(7) 0.6263(12) 0.4531(6) 0.063(5) Uani 1 1 d . . .
H62 H 0.336 0.6763 0.4602 0.075 Uiso 1 1 calc R . .
C64 C 0.4245(7) 0.5174(13) 0.4824(7) 0.065(5) Uani 1 1 d . . .
H64 H 0.4548 0.4911 0.5082 0.078 Uiso 1 1 calc R . .
C66 C 0.3614(6) 0.5166(11) 0.3971(6) 0.053(4) Uani 1 1 d . . .
H66 H 0.3495 0.4905 0.3649 0.063 Uiso 1 1 calc R . .
C67 C 0.2941(5) 0.7563(8) 0.3369(5) 0.035(3) Uani 1 1 d . . .
C68 C 0.3384(7) 0.8039(10) 0.3703(6) 0.054(4) Uani 1 1 d . . .
H68 H 0.3605 0.7784 0.4014 0.065 Uiso 1 1 calc R . .
C69 C 0.3493(8) 0.8872(11) 0.3575(7) 0.064(5) Uani 1 1 d . . .
H69 H 0.3804 0.9185 0.3795 0.077 Uiso 1 1 calc R . .
C70 C 0.3167(8) 0.9282(12) 0.3134(8) 0.071(6) Uani 1 1 d . . .
H70 H 0.3244 0.9876 0.3058 0.085 Uiso 1 1 calc R . .
C71 C 0.2717(7) 0.8800(12) 0.2800(7) 0.064(5) Uani 1 1 d . . .
H71 H 0.2492 0.9056 0.249 0.076 Uiso 1 1 calc R . .
C72 C 0.2614(6) 0.7969(10) 0.2929(6) 0.054(4) Uani 1 1 d . . .
H72 H 0.2304 0.7652 0.271 0.065 Uiso 1 1 calc R . .
C73 C 0.0762(6) 0.6246(9) 0.2503(5) 0.040(3) Uani 1 1 d . . .
C74 C 0.0282(6) 0.6247(10) 0.2582(5) 0.047(4) Uani 1 1 d . . .
H74 H 0.0291 0.6144 0.2908 0.057 Uiso 1 1 calc R . .
C75 C -0.0207(6) 0.6392(11) 0.2202(6) 0.056(4) Uani 1 1 d . . .
H75 H -0.0537 0.638 0.2261 0.067 Uiso 1 1 calc R . .
C76 C -0.0216(6) 0.6557(11) 0.1736(6) 0.053(4) Uani 1 1 d . . .
H76 H -0.0556 0.6661 0.147 0.064 Uiso 1 1 calc R . .
C77 C 0.0253(7) 0.6573(11) 0.1644(7) 0.060(5) Uani 1 1 d . . .
H77 H 0.0243 0.6692 0.1319 0.072 Uiso 1 1 calc R . .
C78 C 0.0756(6) 0.6410(9) 0.2042(6) 0.046(4) Uani 1 1 d . . .
H78 H 0.1088 0.6415 0.1986 0.055 Uiso 1 1 calc R . .
C79 C 0.1254(5) 0.4981(10) 0.3381(5) 0.039(3) Uani 1 1 d . . .
C80 C 0.1106(6) 0.5144(11) 0.3789(6) 0.053(4) Uani 1 1 d . . .
H80 H 0.1098 0.574 0.3904 0.064 Uiso 1 1 calc R . .
C81 C 0.0972(8) 0.4419(11) 0.4021(6) 0.065(5) Uani 1 1 d . . .
H81 H 0.0878 0.4521 0.4302 0.078 Uiso 1 1 calc R . .
C82 C 0.0972(7) 0.3562(12) 0.3854(6) 0.061(5) Uani 1 1 d . . .
H82 H 0.0868 0.3075 0.4012 0.073 Uiso 1 1 calc R . .
C83 C 0.1128(6) 0.3399(9) 0.3444(6) 0.052(4) Uani 1 1 d . . .
H83 H 0.1131 0.2804 0.3325 0.062 Uiso 1 1 calc R . .
C84 C 0.1273(5) 0.4112(9) 0.3225(6) 0.040(3) Uani 1 1 d . . .
H84 H 0.139 0.4006 0.2958 0.048 Uiso 1 1 calc R . .
C85 C 0.3664(5) 0.6560(9) 0.2019(5) 0.033(3) Uani 1 1 d . . .
C86 C 0.4136(6) 0.6655(11) 0.1932(6) 0.058(4) Uani 1 1 d . . .
H86 H 0.4177 0.6364 0.1656 0.07 Uiso 1 1 calc R . .
C87 C 0.4558(7) 0.7190(14) 0.2257(7) 0.076(6) Uani 1 1 d . . .
H87 H 0.4877 0.73 0.2189 0.092 Uiso 1 1 calc R . .
C88 C 0.4508(7) 0.7548(11) 0.2665(6) 0.058(4) Uani 1 1 d . . .
H88 H 0.4803 0.788 0.2894 0.07 Uiso 1 1 calc R . .
C89 C 0.4044(7) 0.7438(10) 0.2751(6) 0.057(5) Uani 1 1 d . . .
H89 H 0.4009 0.7707 0.3034 0.069 Uiso 1 1 calc R . .
C90 C 0.3628(7) 0.6943(9) 0.2429(6) 0.057(5) Uani 1 1 d . . .
H90 H 0.3304 0.6863 0.2494 0.068 Uiso 1 1 calc R . .
C91 C 0.3415(6) 0.4864(9) 0.1384(6) 0.045(4) Uani 1 1 d . . .
C92 C 0.3535(7) 0.4856(10) 0.0961(7) 0.059(5) Uani 1 1 d . . .
H92 H 0.3449 0.536 0.0743 0.071 Uiso 1 1 calc R . .
C93 C 0.3786(8) 0.4098(13) 0.0856(8) 0.081(6) Uani 1 1 d . . .
H93 H 0.3888 0.4108 0.0575 0.097 Uiso 1 1 calc R . .
C94 C 0.3887(8) 0.3357(12) 0.1140(7) 0.076(6) Uani 1 1 d . . .
H94 H 0.4041 0.2841 0.105 0.091 Uiso 1 1 calc R . .
C95 C 0.3766(6) 0.3343(11) 0.1570(7) 0.058(5) Uani 1 1 d . . .
H95 H 0.384 0.2822 0.1775 0.069 Uiso 1 1 calc R . .
C96 C 0.3536(6) 0.4104(10) 0.1695(6) 0.051(4) Uani 1 1 d . . .
H96 H 0.346 0.4108 0.199 0.061 Uiso 1 1 calc R . .
C97 C 0.1242(6) 0.5047(11) 0.0555(6) 0.048(4) Uani 1 1 d . . .
C98 C 0.1082(7) 0.5145(11) 0.0034(6) 0.057(5) Uani 1 1 d . . .
H98 H 0.1229 0.5612 -0.0101 0.068 Uiso 1 1 calc R . .
C99 C 0.0708(8) 0.4546(13) -0.0272(7) 0.078(6) Uani 1 1 d . . .
H99 H 0.062 0.459 -0.0621 0.094 Uiso 1 1 calc R . .
C100 C 0.0455(8) 0.3891(14) -0.0105(7) 0.083(6) Uani 1 1 d . . .
H100 H 0.0192 0.3499 -0.0328 0.1 Uiso 1 1 calc R . .
C101 C 0.0601(7) 0.3824(13) 0.0410(7) 0.076(6) Uani 1 1 d . . .
H101 H 0.043 0.3382 0.0539 0.092 Uiso 1 1 calc R . .
C102 C 0.0989(6) 0.4387(11) 0.0738(6) 0.058(5) Uani 1 1 d . . .
H102 H 0.1083 0.4324 0.1086 0.069 Uiso 1 1 calc R . .
C103 C 0.1367(6) 0.6918(9) 0.1024(6) 0.047(4) Uani 1 1 d . . .
C104 C 0.0898(6) 0.7151(10) 0.0604(6) 0.047(4) Uani 1 1 d . . .
H104 H 0.0779 0.6771 0.032 0.056 Uiso 1 1 calc R . .
C105 C 0.0607(7) 0.7942(11) 0.0606(7) 0.061(5) Uani 1 1 d . . .
H105 H 0.0303 0.8132 0.0322 0.073 Uiso 1 1 calc R . .
C106 C 0.0790(9) 0.8427(12) 0.1044(8) 0.071(6) Uani 1 1 d . . .
H106 H 0.059 0.8943 0.107 0.085 Uiso 1 1 calc R . .
C107 C 0.1251(8) 0.8191(11) 0.1445(7) 0.063(5) Uani 1 1 d . . .
H107 H 0.1371 0.856 0.1734 0.076 Uiso 1 1 calc R . .
C108 C 0.1534(7) 0.7444(9) 0.1434(6) 0.047(4) Uani 1 1 d . . .
H108 H 0.1851 0.7287 0.1714 0.057 Uiso 1 1 calc R . .
B10 B 0.4000(8) 0.8560(14) 0.5199(8) 0.082(7) Uiso 1 1 d D . .
F11 F 0.4332(5) 0.8012(9) 0.5069(5) 0.121(5) Uiso 1 1 d D . .
F12 F 0.3500(6) 0.8352(10) 0.4971(5) 0.136(5) Uiso 1 1 d D . .
F13 F 0.4105(8) 0.9428(12) 0.5115(7) 0.191(8) Uiso 1 1 d D . .
F14 F 0.4082(9) 0.8411(15) 0.5693(8) 0.240(10) Uiso 1 1 d D . .
B20 B -0.1672(10) 0.1446(13) 0.0065(9) 0.020(6) Uiso 0.5 1 d PD C 1
F21 F -0.1994(8) 0.0838(12) 0.0161(7) 0.071(6) Uiso 0.5 1 d PD C 1
F22 F -0.1856(14) 0.162(2) -0.0391(8) 0.126(15) Uiso 0.5 1 d PD C 1
F23 F -0.1642(7) 0.2205(11) 0.0332(7) 0.061(5) Uiso 0.5 1 d PD C 1
F24 F -0.1148(9) 0.1166(18) 0.0159(10) 0.127(10) Uiso 0.5 1 d PD C 1
B20B B -0.1858(13) 0.141(2) -0.0048(11) 0.007(10) Uiso 0.25 1 d PD D 2
F21B F -0.172(2) 0.053(2) 0.000(2) 0.19(3) Uiso 0.25 1 d PD D 2
F22B F -0.1911(14) 0.166(2) -0.0481(9) 0.025(9) Uiso 0.25 1 d PD D 2
F23B F -0.1451(12) 0.187(2) 0.0295(11) 0.050(9) Uiso 0.25 1 d PD D 2
F24B F -0.2355(14) 0.161(3) -0.0049(17) 0.132(19) Uiso 0.25 1 d PD D 2
B20C B -0.0375(13) 0.004(2) 0.0147(12) 0.028(13) Uiso 0.25 1 d PD . 3
F21C F -0.0034(16) 0.020(3) -0.0089(16) 0.087(14) Uiso 0.25 1 d PD . 3
F22C F -0.0169(13) 0.024(2) 0.0595(11) 0.072(11) Uiso 0.25 1 d PD E 3
F23C F -0.0533(16) -0.0839(19) 0.0090(14) 0.089(13) Uiso 0.25 1 d PD . 3
F24C F -0.0823(14) 0.058(2) 0.0010(15) 0.095(14) Uiso 0.25 1 d PD F 3
O500 O 0.5327(6) 0.8017(9) 0.4561(6) 0.096(4) Uiso 1 1 d . . .
H500 H 0.5085 0.8405 0.4528 0.144 Uiso 1 1 calc RD . .
C501 C 0.5082(13) 0.715(2) 0.4449(12) 0.165(13) Uiso 1 1 d . . .
H50A H 0.5352 0.6752 0.4694 0.198 Uiso 1 1 calc R . .
H50B H 0.4772 0.7189 0.4561 0.198 Uiso 1 1 calc R . .
C502 C 0.4905(12) 0.6688(19) 0.4082(11) 0.147(11) Uiso 1 1 d . . .
H50C H 0.4643 0.7037 0.3809 0.22 Uiso 1 1 calc R . .
H50D H 0.4723 0.616 0.4149 0.22 Uiso 1 1 calc R . .
H50E H 0.5207 0.6493 0.3986 0.22 Uiso 1 1 calc R . .
O1W O 0.4772(11) 0.9459(16) 0.4637(10) 0.233(12) Uiso 1 1 d D . .
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 0 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S4 Cu1 S1 106.97(13) . . ?
S4 Cu1 S2 146.84(14) . . ?
S1 Cu1 S2 81.85(13) . . ?
S4 Cu1 S3 81.52(12) . . ?
S1 Cu1 S3 147.76(14) . . ?
S2 Cu1 S3 108.30(13) . . ?
S4 Cu1 Pt1 51.17(9) . . ?
S1 Cu1 Pt1 154.78(10) . . ?
S2 Cu1 Pt1 109.88(10) . . ?
S3 Cu1 Pt1 51.37(8) . . ?
S4 Cu1 Pt3 154.91(10) . . ?
S1 Cu1 Pt3 49.58(8) . . ?
S2 Cu1 Pt3 50.07(9) . . ?
S3 Cu1 Pt3 113.52(9) . . ?
Pt1 Cu1 Pt3 153.80(6) . . ?
S4 Cu1 Pt2 49.65(9) . . ?
S1 Cu1 Pt2 112.31(11) . . ?
S2 Cu1 Pt2 156.23(10) . . ?
S3 Cu1 Pt2 49.63(9) . . ?
Pt1 Cu1 Pt2 65.55(4) . . ?
Pt3 Cu1 Pt2 124.47(6) . . ?
S4 Cu1 Pt4 112.13(10) . . ?
S1 Cu1 Pt4 49.39(9) . . ?
S2 Cu1 Pt4 49.60(8) . . ?
S3 Cu1 Pt4 156.08(11) . . ?
Pt1 Cu1 Pt4 121.38(6) . . ?
Pt3 Cu1 Pt4 62.10(4) . . ?
Pt2 Cu1 Pt4 153.67(6) . . ?
S4 Pt1 S3 81.75(11) . . ?
S4 Pt1 As1 97.10(9) . . ?
S3 Pt1 As1 175.62(10) . . ?
S4 Pt1 As2 174.24(9) . . ?
S3 Pt1 As2 96.19(8) . . ?
As1 Pt1 As2 85.35(5) . . ?
S4 Pt1 Cu1 51.15(9) . . ?
S3 Pt1 Cu1 51.72(8) . . ?
As1 Pt1 Cu1 130.45(5) . . ?
As2 Pt1 Cu1 123.51(5) . . ?
S4 Pt1 Pt2 46.52(8) . . ?
S3 Pt1 Pt2 46.59(8) . . ?
As1 Pt1 Pt2 130.00(4) . . ?
As2 Pt1 Pt2 134.65(4) . . ?
Cu1 Pt1 Pt2 59.04(4) . . ?
S4 Pt2 S3 81.24(11) . . ?
S4 Pt2 As3 94.99(9) . . ?
S3 Pt2 As3 172.67(9) . . ?
S4 Pt2 As4 178.96(9) . . ?
S3 Pt2 As4 98.89(8) . . ?
As3 Pt2 As4 84.99(5) . . ?
S4 Pt2 Cu1 49.14(9) . . ?
S3 Pt2 Cu1 49.76(8) . . ?
As3 Pt2 Cu1 123.20(5) . . ?
As4 Pt2 Cu1 131.66(5) . . ?
S4 Pt2 Pt1 46.08(8) . . ?
S3 Pt2 Pt1 46.41(8) . . ?
As3 Pt2 Pt1 133.67(4) . . ?
As4 Pt2 Pt1 133.43(4) . . ?
Cu1 Pt2 Pt1 55.41(3) . . ?
S1 Pt3 S2 81.30(12) . . ?
S1 Pt3 As6 175.54(9) . . ?
S2 Pt3 As6 96.01(9) . . ?
S1 Pt3 As5 97.73(9) . . ?
S2 Pt3 As5 176.48(9) . . ?
As6 Pt3 As5 85.16(5) . . ?
S1 Pt3 Cu1 49.44(9) . . ?
S2 Pt3 Cu1 49.47(9) . . ?
As6 Pt3 Cu1 126.17(5) . . ?
As5 Pt3 Cu1 132.06(5) . . ?
S1 Pt3 Pt4 47.97(9) . . ?
S2 Pt3 Pt4 48.14(8) . . ?
As6 Pt3 Pt4 132.09(4) . . ?
As5 Pt3 Pt4 128.94(4) . . ?
Cu1 Pt3 Pt4 59.28(3) . . ?
S1 Pt4 S2 81.28(12) . . ?
S1 Pt4 As7 94.37(9) . . ?
S2 Pt4 As7 174.41(10) . . ?
S1 Pt4 As8 175.16(9) . . ?
S2 Pt4 As8 99.39(10) . . ?
As7 Pt4 As8 85.24(5) . . ?
S1 Pt4 Cu1 49.07(9) . . ?
S2 Pt4 Cu1 49.15(9) . . ?
As7 Pt4 Cu1 125.27(5) . . ?
As8 Pt4 Cu1 134.58(5) . . ?
S1 Pt4 Pt3 47.80(8) . . ?
S2 Pt4 Pt3 48.28(9) . . ?
As7 Pt4 Pt3 130.37(4) . . ?
As8 Pt4 Pt3 129.55(4) . . ?
Cu1 Pt4 Pt3 58.61(3) . . ?
C9 As1 C15 105.7(5) . . ?
C9 As1 C1 104.3(6) . . ?
C15 As1 C1 101.3(6) . . ?
C9 As1 Pt1 116.0(4) . . ?
C15 As1 Pt1 119.3(4) . . ?
C1 As1 Pt1 108.2(4) . . ?
C31 As2 C2 102.6(6) . . ?
C31 As2 C25 105.5(5) . . ?
C2 As2 C25 105.0(5) . . ?
C31 As2 Pt1 119.7(4) . . ?
C2 As2 Pt1 107.8(4) . . ?
C25 As2 Pt1 114.6(4) . . ?
C3 As3 C37 104.3(6) . . ?
C3 As3 C43 108.2(7) . . ?
C37 As3 C43 101.5(6) . . ?
C3 As3 Pt2 107.4(4) . . ?
C37 As3 Pt2 116.8(4) . . ?
C43 As3 Pt2 117.6(5) . . ?
C4 As4 C55 103.8(6) . . ?
C4 As4 C49 105.1(5) . . ?
C55 As4 C49 105.7(5) . . ?
C4 As4 Pt2 107.7(4) . . ?
C55 As4 Pt2 112.3(4) . . ?
C49 As4 Pt2 120.9(4) . . ?
C61 As5 C67 106.7(6) . . ?
C61 As5 C5 104.5(6) . . ?
C67 As5 C5 101.0(6) . . ?
C61 As5 Pt3 121.5(4) . . ?
C67 As5 Pt3 113.3(4) . . ?
C5 As5 Pt3 107.7(4) . . ?
C73 As6 C79 103.2(5) . . ?
C73 As6 C6 107.2(7) . . ?
C79 As6 C6 105.9(6) . . ?
C73 As6 Pt3 120.3(4) . . ?
C79 As6 Pt3 111.2(4) . . ?
C6 As6 Pt3 108.1(4) . . ?
C91 As7 C85 104.6(6) . . ?
C91 As7 C8 107.0(7) . . ?
C85 As7 C8 104.9(6) . . ?
C91 As7 Pt4 111.1(4) . . ?
C85 As7 Pt4 120.7(4) . . ?
C8 As7 Pt4 107.9(4) . . ?
C97 As8 C103 105.2(6) . . ?
C97 As8 C7 102.8(6) . . ?
C103 As8 C7 103.2(6) . . ?
C97 As8 Pt4 122.7(5) . . ?
C103 As8 Pt4 111.8(5) . . ?
C7 As8 Pt4 109.2(4) . . ?
Cu1 S1 Pt3 80.98(11) . . ?
Cu1 S1 Pt4 81.53(12) . . ?
Pt3 S1 Pt4 84.22(12) . . ?
Cu1 S2 Pt4 81.25(11) . . ?
Cu1 S2 Pt3 80.46(12) . . ?
Pt4 S2 Pt3 83.58(11) . . ?
Pt1 S3 Pt2 87.00(10) . . ?
Pt1 S3 Cu1 76.91(10) . . ?
Pt2 S3 Cu1 80.60(10) . . ?
Cu1 S4 Pt1 77.69(11) . . ?
Cu1 S4 Pt2 81.22(11) . . ?
Pt1 S4 Pt2 87.40(10) . . ?
C2 C1 As1 108.9(9) . . ?
C2 C1 H1A 109.9 . . ?
As1 C1 H1A 109.9 . . ?
C2 C1 H1B 109.9 . . ?
As1 C1 H1B 109.9 . . ?
H1A C1 H1B 108.3 . . ?
C1 C2 As2 108.9(9) . . ?
C1 C2 H2A 109.9 . . ?
As2 C2 H2A 109.9 . . ?
C1 C2 H2B 109.9 . . ?
As2 C2 H2B 109.9 . . ?
H2A C2 H2B 108.3 . . ?
C4 C3 As3 111.5(10) . . ?
C4 C3 H3A 109.3 . . ?
As3 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
As3 C3 H3B 109.3 . . ?
H3A C3 H3B 108 . . ?
C3 C4 As4 109.0(10) . . ?
C3 C4 H4A 109.9 . . ?
As4 C4 H4A 109.9 . . ?
C3 C4 H4B 109.9 . . ?
As4 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
C6 C5 As5 111.3(10) . . ?
C6 C5 H5A 109.4 . . ?
As5 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
As5 C5 H5B 109.4 . . ?
H5A C5 H5B 108 . . ?
C5 C6 As6 107.1(10) . . ?
C5 C6 H6A 110.3 . . ?
As6 C6 H6A 110.3 . . ?
C5 C6 H6B 110.3 . . ?
As6 C6 H6B 110.3 . . ?
H6A C6 H6B 108.6 . . ?
C8 C7 As8 108.1(9) . . ?
C8 C7 H7A 110.1 . . ?
As8 C7 H7A 110.1 . . ?
C8 C7 H7B 110.1 . . ?
As8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
C7 C8 As7 111.2(10) . . ?
C7 C8 H8A 109.4 . . ?
As7 C8 H8A 109.4 . . ?
C7 C8 H8B 109.4 . . ?
As7 C8 H8B 109.4 . . ?
H8A C8 H8B 108 . . ?
C10 C9 C14 118.3(14) . . ?
C10 C9 As1 118.8(11) . . ?
C14 C9 As1 122.9(11) . . ?
C9 C10 C11 119.9(14) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 121.0(15) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C13 C12 C11 118.8(14) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 121.4(14) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C13 C14 C9 120.6(14) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
C16 C15 C20 121(2) . . ?
C16 C15 C24 93(2) . . ?
C20 C15 C21 105(2) . . ?
C24 C15 C21 111(2) . . ?
C16 C15 As1 116.5(17) . . ?
C20 C15 As1 122.8(16) . . ?
C24 C15 As1 126.0(16) . . ?
C21 C15 As1 120.0(14) . . ?
C17 C18 C23 103(3) . . ?
C23 C18 C22 125(2) . . ?
C17 C18 C19 112(3) . . ?
C22 C18 C19 103(2) . . ?
C17 C18 H18 123.8 . . ?
C23 C18 H18 116.5 . . ?
C22 C18 H18 118.8 . . ?
C19 C18 H18 123.8 . . ?
C15 C16 C17 121(3) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C18 C17 C16 125(4) . . ?
C18 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
C20 C19 C18 122(3) . . ?
C20 C19 H19 119 . . ?
C18 C19 H19 119 . . ?
C15 C20 C19 118(3) . . ?
C15 C20 H20 120.9 . . ?
C19 C20 H20 120.9 . . ?
C22 C21 C15 125(3) . . ?
C22 C21 H21 117.6 . . ?
C15 C21 H21 117.6 . . ?
C21 C22 C18 114(3) . . ?
C21 C22 H22 123.2 . . ?
C18 C22 H22 123.2 . . ?
C18 C23 C24 121(3) . . ?
C18 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C15 C24 C23 123(3) . . ?
C15 C24 H24 118.4 . . ?
C23 C24 H24 118.4 . . ?
C26 C25 C30 122.7(13) . . ?
C26 C25 As2 117.9(10) . . ?
C30 C25 As2 119.4(11) . . ?
C25 C26 C27 117.8(13) . . ?
C25 C26 H26 121.1 . . ?
C27 C26 H26 121.1 . . ?
C28 C27 C26 121.4(14) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C29 C28 C27 118.9(13) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
C28 C29 C30 123.3(14) . . ?
C28 C29 H29 118.4 . . ?
C30 C29 H29 118.4 . . ?
C29 C30 C25 116.1(14) . . ?
C29 C30 H30 122 . . ?
C25 C30 H30 122 . . ?
C36 C31 C32 120.9(13) . . ?
C36 C31 As2 120.2(11) . . ?
C32 C31 As2 118.8(11) . . ?
C31 C32 C33 119.7(15) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 118.4(16) . . ?
C34 C33 H33 120.8 . . ?
C32 C33 H33 120.8 . . ?
C33 C34 C35 123.3(16) . . ?
C33 C34 H34 118.4 . . ?
C35 C34 H34 118.4 . . ?
C34 C35 C36 116.3(16) . . ?
C34 C35 H35 121.8 . . ?
C36 C35 H35 121.8 . . ?
C31 C36 C35 121.2(15) . . ?
C31 C36 H36 119.4 . . ?
C35 C36 H36 119.4 . . ?
C38 C37 C42 121.3(13) . . ?
C38 C37 As3 121.7(10) . . ?
C42 C37 As3 116.9(11) . . ?
C37 C38 C39 121.0(14) . . ?
C37 C38 H38 119.5 . . ?
C39 C38 H38 119.5 . . ?
C38 C39 C40 118.3(16) . . ?
C38 C39 H39 120.8 . . ?
C40 C39 H39 120.8 . . ?
C39 C40 C41 120.3(15) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 122.4(16) . . ?
C42 C41 H41 118.8 . . ?
C40 C41 H41 118.8 . . ?
C41 C42 C37 116.6(15) . . ?
C41 C42 H42 121.7 . . ?
C37 C42 H42 121.7 . . ?
C48 C43 C44 121.1(19) . . ?
C48 C43 As3 118.8(15) . . ?
C44 C43 As3 119.4(16) . . ?
C43 C44 C45 118(2) . . ?
C43 C44 H44 120.8 . . ?
C45 C44 H44 120.8 . . ?
C46 C45 C44 120(3) . . ?
C46 C45 H45 120 . . ?
C44 C45 H45 120 . . ?
C47 C46 C45 117(3) . . ?
C47 C46 H46 121.3 . . ?
C45 C46 H46 121.3 . . ?
C46 C47 C48 124(3) . . ?
C46 C47 H47 117.8 . . ?
C48 C47 H47 117.8 . . ?
C43 C48 C47 118(3) . . ?
C43 C48 H48 121 . . ?
C47 C48 H48 121 . . ?
C50 C49 C54 120.8(13) . . ?
C50 C49 As4 119.8(10) . . ?
C54 C49 As4 119.3(10) . . ?
C49 C50 C51 119.4(14) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 H50 120.3 . . ?
C52 C51 C50 121.3(13) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C54 C53 C52 122.1(13) . . ?
C54 C53 H53 118.9 . . ?
C52 C53 H53 118.9 . . ?
C53 C54 C49 118.1(13) . . ?
C53 C54 H54 120.9 . . ?
C49 C54 H54 120.9 . . ?
C64 C63 C62 119.0(19) . . ?
C64 C63 H63 120.5 . . ?
C62 C63 H63 120.5 . . ?
C66 C65 C64 121.9(17) . . ?
C66 C65 H65 119 . . ?
C64 C65 H65 119 . . ?
C51 C52 C53 118.3(13) . . ?
C51 C52 H52 120.9 . . ?
C53 C52 H52 120.9 . . ?
C60 C55 C56 119.0(14) . . ?
C60 C55 As4 124.2(11) . . ?
C56 C55 As4 116.8(10) . . ?
C57 C56 C55 120.0(14) . . ?
C57 C56 H56 120 . . ?
C55 C56 H56 120 . . ?
C56 C57 C58 118.6(13) . . ?
C56 C57 H57 120.7 . . ?
C58 C57 H57 120.7 . . ?
C59 C58 C57 121.1(14) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C58 C59 C60 119.7(16) . . ?
C58 C59 H59 120.2 . . ?
C60 C59 H59 120.2 . . ?
C55 C60 C59 121.5(15) . . ?
C55 C60 H60 119.3 . . ?
C59 C60 H60 119.3 . . ?
C62 C61 C66 116.5(15) . . ?
C62 C61 As5 122.7(12) . . ?
C66 C61 As5 120.8(11) . . ?
C61 C62 C63 123.1(18) . . ?
C61 C62 H62 118.4 . . ?
C63 C62 H62 118.4 . . ?
C63 C64 C65 119.1(17) . . ?
C63 C64 H64 120.4 . . ?
C65 C64 H64 120.4 . . ?
C65 C66 C61 120.3(15) . . ?
C65 C66 H66 119.8 . . ?
C61 C66 H66 119.8 . . ?
C72 C67 C68 119.2(14) . . ?
C72 C67 As5 118.5(11) . . ?
C68 C67 As5 122.0(11) . . ?
C69 C68 C67 118.8(17) . . ?
C69 C68 H68 120.6 . . ?
C67 C68 H68 120.6 . . ?
C68 C69 C70 122.2(18) . . ?
C68 C69 H69 118.9 . . ?
C70 C69 H69 118.9 . . ?
C69 C70 C71 118.6(17) . . ?
C69 C70 H70 120.7 . . ?
C71 C70 H70 120.7 . . ?
C72 C71 C70 118.7(18) . . ?
C72 C71 H71 120.7 . . ?
C70 C71 H71 120.7 . . ?
C71 C72 C67 122.4(17) . . ?
C71 C72 H72 118.8 . . ?
C67 C72 H72 118.8 . . ?
C78 C73 C74 119.9(14) . . ?
C78 C73 As6 118.2(11) . . ?
C74 C73 As6 121.8(10) . . ?
C75 C74 C73 121.4(14) . . ?
C75 C74 H74 119.3 . . ?
C73 C74 H74 119.3 . . ?
C74 C75 C76 119.1(14) . . ?
C74 C75 H75 120.4 . . ?
C76 C75 H75 120.4 . . ?
C77 C76 C75 121.2(16) . . ?
C77 C76 H76 119.4 . . ?
C75 C76 H76 119.4 . . ?
C76 C77 C78 118.8(15) . . ?
C76 C77 H77 120.6 . . ?
C78 C77 H77 120.6 . . ?
C73 C78 C77 119.5(14) . . ?
C73 C78 H78 120.2 . . ?
C77 C78 H78 120.2 . . ?
C84 C79 C80 119.8(14) . . ?
C84 C79 As6 117.8(10) . . ?
C80 C79 As6 122.4(11) . . ?
C81 C80 C79 118.7(15) . . ?
C81 C80 H80 120.6 . . ?
C79 C80 H80 120.6 . . ?
C82 C81 C80 121.3(16) . . ?
C82 C81 H81 119.4 . . ?
C80 C81 H81 119.4 . . ?
C81 C82 C83 119.8(15) . . ?
C81 C82 H82 120.1 . . ?
C83 C82 H82 120.1 . . ?
C84 C83 C82 118.6(14) . . ?
C84 C83 H83 120.7 . . ?
C82 C83 H83 120.7 . . ?
C83 C84 C79 121.7(14) . . ?
C83 C84 H84 119.2 . . ?
C79 C84 H84 119.2 . . ?
C90 C85 C86 119.3(14) . . ?
C90 C85 As7 120.7(10) . . ?
C86 C85 As7 119.9(11) . . ?
C85 C86 C87 118.8(15) . . ?
C85 C86 H86 120.6 . . ?
C87 C86 H86 120.6 . . ?
C88 C87 C86 119.9(16) . . ?
C88 C87 H87 120.1 . . ?
C86 C87 H87 120.1 . . ?
C87 C88 C89 120.6(16) . . ?
C87 C88 H88 119.7 . . ?
C89 C88 H88 119.7 . . ?
C88 C89 C90 119.7(15) . . ?
C88 C89 H89 120.1 . . ?
C90 C89 H89 120.1 . . ?
C85 C90 C89 121.5(14) . . ?
C85 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
C92 C91 C96 119.4(14) . . ?
C92 C91 As7 123.5(12) . . ?
C96 C91 As7 117.1(11) . . ?
C91 C92 C93 119.3(16) . . ?
C91 C92 H92 120.4 . . ?
C93 C92 H92 120.4 . . ?
C94 C93 C92 121.9(16) . . ?
C94 C93 H93 119 . . ?
C92 C93 H93 119 . . ?
C93 C94 C95 120.1(16) . . ?
C93 C94 H94 120 . . ?
C95 C94 H94 120 . . ?
C96 C95 C94 119.2(16) . . ?
C96 C95 H95 120.4 . . ?
C94 C95 H95 120.4 . . ?
C95 C96 C91 120.1(14) . . ?
C95 C96 H96 120 . . ?
C91 C96 H96 120 . . ?
C102 C97 C98 118.9(15) . . ?
C102 C97 As8 119.9(12) . . ?
C98 C97 As8 121.2(11) . . ?
C99 C98 C97 118.4(16) . . ?
C99 C98 H98 120.8 . . ?
C97 C98 H98 120.8 . . ?
C100 C99 C98 123.9(17) . . ?
C100 C99 H99 118 . . ?
C98 C99 H99 118 . . ?
C99 C100 C101 117.0(16) . . ?
C99 C100 H100 121.5 . . ?
C101 C100 H100 121.5 . . ?
C102 C101 C100 121.6(15) . . ?
C102 C101 H101 119.2 . . ?
C100 C101 H101 119.2 . . ?
C101 C102 C97 120.0(15) . . ?
C101 C102 H102 120 . . ?
C97 C102 H102 120 . . ?
C108 C103 C104 120.4(15) . . ?
C108 C103 As8 120.6(13) . . ?
C104 C103 As8 119.1(11) . . ?
C105 C104 C103 120.3(15) . . ?
C105 C104 H104 119.8 . . ?
C103 C104 H104 119.8 . . ?
C106 C105 C104 115.9(17) . . ?
C106 C105 H105 122 . . ?
C104 C105 H105 122 . . ?
C107 C106 C105 122.4(18) . . ?
C107 C106 H106 118.8 . . ?
C105 C106 H106 118.8 . . ?
C108 C107 C106 120.9(17) . . ?
C108 C107 H107 119.6 . . ?
C106 C107 H107 119.6 . . ?
C107 C108 C103 119.9(17) . . ?
C107 C108 H108 120 . . ?
C103 C108 H108 120 . . ?
F12 B10 F11 111.3(19) . . ?
F12 B10 F13 112.3(18) . . ?
F11 B10 F13 108.9(17) . . ?
F12 B10 F14 103.0(18) . . ?
F11 B10 F14 109.2(18) . . ?
F13 B10 F14 112.0(19) . . ?
F22 B20 F21 110(2) . . ?
F22 B20 F23 110(2) . . ?
F21 B20 F23 110.5(18) . . ?
F22 B20 F24 103(2) . . ?
F21 B20 F24 115.2(19) . . ?
F23 B20 F24 108(2) . . ?
F22B B20B F24B 101(2) . . ?
F22B B20B F21B 108(3) . . ?
F24B B20B F21B 117(3) . . ?
F22B B20B F23B 110(2) . . ?
F24B B20B F23B 113(3) . . ?
F21B B20B F23B 108(2) . . ?
F22C B20C F21C 112(3) . . ?
F22C B20C F24C 99(2) . . ?
F21C B20C F24C 115(3) . . ?
F22C B20C F23C 111(3) . . ?
F21C B20C F23C 110(2) . . ?
F24C B20C F23C 110(3) . . ?
C501 O500 H500 109.5 . . ?
C502 C501 O500 135(3) . . ?
C502 C501 H50A 103.4 . . ?
O500 C501 H50A 103.4 . . ?
C502 C501 H50B 103.4 . . ?
O500 C501 H50B 103.4 . . ?
H50A C501 H50B 105.2 . . ?
C501 C502 H50C 109.5 . . ?
C501 C502 H50D 109.5 . . ?
H50C C502 H50D 109.5 . . ?
C501 C502 H50E 109.5 . . ?
H50C C502 H50E 109.5 . . ?
H50D C502 H50E 109.5 . . ?
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
Cu1 S4 2.325(4) . ?
Cu1 S1 2.327(4) . ?
Cu1 S2 2.331(4) . ?
Cu1 S3 2.351(3) . ?
Cu1 Pt1 2.9171(17) . ?
Cu1 Pt3 3.0244(17) . ?
Cu1 Pt2 3.0384(18) . ?
Cu1 Pt4 3.0458(17) . ?
Pt1 S4 2.326(3) . ?
Pt1 S3 2.340(3) . ?
Pt1 As1 2.3638(14) . ?
Pt1 As2 2.3658(14) . ?
Pt1 Pt2 3.2257(8) . ?
Pt2 S4 2.343(3) . ?
Pt2 S3 2.347(3) . ?
Pt2 As3 2.3640(15) . ?
Pt2 As4 2.3711(15) . ?
Pt3 S1 2.332(3) . ?
Pt3 S2 2.352(4) . ?
Pt3 As6 2.3575(14) . ?
Pt3 As5 2.3672(16) . ?
Pt3 Pt4 3.1311(9) . ?
Pt4 S1 2.338(4) . ?
Pt4 S2 2.347(3) . ?
Pt4 As7 2.3599(14) . ?
Pt4 As8 2.3689(17) . ?
As1 C9 1.902(14) . ?
As1 C15 1.913(13) . ?
As1 C1 1.936(13) . ?
As2 C31 1.943(13) . ?
As2 C2 1.960(13) . ?
As2 C25 1.962(13) . ?
As3 C3 1.933(15) . ?
As3 C37 1.944(14) . ?
As3 C43 1.967(16) . ?
As4 C4 1.927(14) . ?
As4 C55 1.928(14) . ?
As4 C49 1.942(13) . ?
As5 C61 1.907(14) . ?
As5 C67 1.931(12) . ?
As5 C5 1.939(13) . ?
As6 C73 1.927(14) . ?
As6 C79 1.947(14) . ?
As6 C6 1.951(13) . ?
As7 C91 1.919(15) . ?
As7 C85 1.927(13) . ?
As7 C8 1.927(15) . ?
As8 C97 1.892(16) . ?
As8 C103 1.957(15) . ?
As8 C7 1.977(13) . ?
C1 C2 1.546(16) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.495(17) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 C6 1.53(2) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 C8 1.544(19) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C10 1.363(18) . ?
C9 C14 1.393(19) . ?
C10 C11 1.399(18) . ?
C10 H10 0.95 . ?
C11 C12 1.36(2) . ?
C11 H11 0.95 . ?
C12 C13 1.35(2) . ?
C12 H12 0.95 . ?
C13 C14 1.362(19) . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C15 C16 1.29(3) . ?
C15 C20 1.33(3) . ?
C15 C24 1.39(3) . ?
C15 C21 1.51(3) . ?
C18 C17 1.21(4) . ?
C18 C23 1.22(3) . ?
C18 C22 1.50(4) . ?
C18 C19 1.54(4) . ?
C18 H18 0.95 . ?
C16 C17 1.44(5) . ?
C16 H16 0.95 . ?
C17 H17 0.95 . ?
C19 C20 1.36(5) . ?
C19 H19 0.95 . ?
C20 H20 0.95 . ?
C21 C22 1.34(4) . ?
C21 H21 0.95 . ?
C22 H22 0.95 . ?
C23 C24 1.41(4) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C26 1.376(19) . ?
C25 C30 1.400(18) . ?
C26 C27 1.379(18) . ?
C26 H26 0.95 . ?
C27 C28 1.378(19) . ?
C27 H27 0.95 . ?
C28 C29 1.35(2) . ?
C28 H28 0.95 . ?
C29 C30 1.377(19) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 C36 1.367(19) . ?
C31 C32 1.39(2) . ?
C32 C33 1.40(2) . ?
C32 H32 0.95 . ?
C33 C34 1.38(2) . ?
C33 H33 0.95 . ?
C34 C35 1.40(2) . ?
C34 H34 0.95 . ?
C35 C36 1.42(2) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
C37 C38 1.382(19) . ?
C37 C42 1.418(19) . ?
C38 C39 1.385(17) . ?
C38 H38 0.95 . ?
C39 C40 1.39(2) . ?
C39 H39 0.95 . ?
C40 C41 1.39(2) . ?
C40 H40 0.95 . ?
C41 C42 1.37(2) . ?
C41 H41 0.95 . ?
C42 H42 0.95 . ?
C43 C48 1.27(3) . ?
C43 C44 1.34(3) . ?
C44 C45 1.46(3) . ?
C44 H44 0.95 . ?
C45 C46 1.31(4) . ?
C45 H45 0.95 . ?
C46 C47 1.28(4) . ?
C46 H46 0.95 . ?
C47 C48 1.43(3) . ?
C47 H47 0.95 . ?
C48 H48 0.95 . ?
C49 C50 1.372(18) . ?
C49 C54 1.403(18) . ?
C50 C51 1.400(18) . ?
C50 H50 0.95 . ?
C51 C52 1.371(19) . ?
C51 H51 0.95 . ?
C53 C54 1.382(18) . ?
C53 C52 1.394(19) . ?
C53 H53 0.95 . ?
C54 H54 0.95 . ?
C63 C64 1.35(3) . ?
C63 C62 1.39(2) . ?
C63 H63 0.95 . ?
C65 C66 1.37(2) . ?
C65 C64 1.38(2) . ?
C65 H65 0.95 . ?
C52 H52 0.95 . ?
C55 C60 1.364(19) . ?
C55 C56 1.411(18) . ?
C56 C57 1.376(18) . ?
C56 H56 0.95 . ?
C57 C58 1.41(2) . ?
C57 H57 0.95 . ?
C58 C59 1.35(2) . ?
C58 H58 0.95 . ?
C59 C60 1.37(2) . ?
C59 H59 0.95 . ?
C60 H60 0.95 . ?
C61 C62 1.38(2) . ?
C61 C66 1.39(2) . ?
C62 H62 0.95 . ?
C64 H64 0.95 . ?
C66 H66 0.95 . ?
C67 C72 1.38(2) . ?
C67 C68 1.40(2) . ?
C68 C69 1.35(2) . ?
C68 H68 0.95 . ?
C69 C70 1.38(2) . ?
C69 H69 0.95 . ?
C70 C71 1.41(2) . ?
C70 H70 0.95 . ?
C71 C72 1.35(2) . ?
C71 H71 0.95 . ?
C72 H72 0.95 . ?
C73 C78 1.356(18) . ?
C73 C74 1.369(18) . ?
C74 C75 1.362(19) . ?
C74 H74 0.95 . ?
C75 C76 1.366(19) . ?
C75 H75 0.95 . ?
C76 C77 1.36(2) . ?
C76 H76 0.95 . ?
C77 C78 1.41(2) . ?
C77 H77 0.95 . ?
C78 H78 0.95 . ?
C79 C84 1.375(18) . ?
C79 C80 1.401(19) . ?
C80 C81 1.39(2) . ?
C80 H80 0.95 . ?
C81 C82 1.36(2) . ?
C81 H81 0.95 . ?
C82 C83 1.42(2) . ?
C82 H82 0.95 . ?
C83 C84 1.363(18) . ?
C83 H83 0.95 . ?
C84 H84 0.95 . ?
C85 C90 1.356(18) . ?
C85 C86 1.369(18) . ?
C86 C87 1.40(2) . ?
C86 H86 0.95 . ?
C87 C88 1.35(2) . ?
C87 H87 0.95 . ?
C88 C89 1.35(2) . ?
C88 H88 0.95 . ?
C89 C90 1.36(2) . ?
C89 H89 0.95 . ?
C90 H90 0.95 . ?
C91 C92 1.38(2) . ?
C91 C96 1.41(2) . ?
C92 C93 1.40(2) . ?
C92 H92 0.95 . ?
C93 C94 1.34(2) . ?
C93 H93 0.95 . ?
C94 C95 1.40(2) . ?
C94 H94 0.95 . ?
C95 C96 1.395(19) . ?
C95 H95 0.95 . ?
C96 H96 0.95 . ?
C97 C102 1.40(2) . ?
C97 C98 1.42(2) . ?
C98 C99 1.38(2) . ?
C98 H98 0.95 . ?
C99 C100 1.37(2) . ?
C99 H99 0.95 . ?
C100 C101 1.40(2) . ?
C100 H100 0.95 . ?
C101 C102 1.38(2) . ?
C101 H101 0.95 . ?
C102 H102 0.95 . ?
C103 C108 1.349(19) . ?
C103 C104 1.42(2) . ?
C104 C105 1.40(2) . ?
C104 H104 0.95 . ?
C105 C106 1.38(2) . ?
C105 H105 0.95 . ?
C106 C107 1.37(2) . ?
C106 H106 0.95 . ?
C107 C108 1.34(2) . ?
C107 H107 0.95 . ?
C108 H108 0.95 . ?
B10 F12 1.273(19) . ?
B10 F11 1.349(19) . ?
B10 F13 1.36(2) . ?
B10 F14 1.38(2) . ?
B20 F22 1.25(2) . ?
B20 F21 1.34(2) . ?
B20 F23 1.35(2) . ?
B20 F24 1.37(2) . ?
B20B F22B 1.27(2) . ?
B20B F24B 1.35(3) . ?
B20B F21B 1.35(2) . ?
B20B F23B 1.35(2) . ?
B20C F21C 1.21(5) 3 ?
B20C F22C 1.24(2) . ?
B20C F21C 1.34(2) . ?
B20C F24C 1.36(3) . ?
B20C F23C 1.36(2) . ?
F21C F21C 0.77(7) 3 ?
F21C B20C 1.21(5) 3 ?
F21C F23C 1.77(6) 3 ?
F23C F21C 1.77(6) 3 ?
O500 C501 1.43(3) . ?
O500 H500 0.84 . ?
C501 C502 1.20(3) . ?
C501 H50A 0.99 . ?
C501 H50B 0.99 . ?
C502 H50C 0.98 . ?
C502 H50D 0.98 . ?
C502 H50E 0.98 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O500 H500 O1W 0.84 1.85 2.65(3) 158.6 .
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
S1 Cu1 Pt1 S4 34.0(3) . . . . ?
S2 Cu1 Pt1 S4 148.40(15) . . . . ?
S3 Cu1 Pt1 S4 -113.64(16) . . . . ?
Pt3 Cu1 Pt1 S4 -175.8(2) . . . . ?
Pt2 Cu1 Pt1 S4 -56.83(11) . . . . ?
Pt4 Cu1 Pt1 S4 94.33(12) . . . . ?
S4 Cu1 Pt1 S3 113.64(16) . . . . ?
S1 Cu1 Pt1 S3 147.6(3) . . . . ?
S2 Cu1 Pt1 S3 -97.96(14) . . . . ?
Pt3 Cu1 Pt1 S3 -62.15(16) . . . . ?
Pt2 Cu1 Pt1 S3 56.81(11) . . . . ?
Pt4 Cu1 Pt1 S3 -152.04(13) . . . . ?
S4 Cu1 Pt1 As1 -61.44(13) . . . . ?
S1 Cu1 Pt1 As1 -27.5(3) . . . . ?
S2 Cu1 Pt1 As1 86.96(11) . . . . ?
S3 Cu1 Pt1 As1 -175.07(12) . . . . ?
Pt3 Cu1 Pt1 As1 122.78(13) . . . . ?
Pt2 Cu1 Pt1 As1 -118.26(6) . . . . ?
Pt4 Cu1 Pt1 As1 32.89(9) . . . . ?
S4 Cu1 Pt1 As2 -177.32(12) . . . . ?
S1 Cu1 Pt1 As2 -143.4(3) . . . . ?
S2 Cu1 Pt1 As2 -28.92(12) . . . . ?
S3 Cu1 Pt1 As2 69.04(12) . . . . ?
Pt3 Cu1 Pt1 As2 6.89(17) . . . . ?
Pt2 Cu1 Pt1 As2 125.85(5) . . . . ?
Pt4 Cu1 Pt1 As2 -83.00(7) . . . . ?
S4 Cu1 Pt1 Pt2 56.83(11) . . . . ?
S1 Cu1 Pt1 Pt2 90.8(3) . . . . ?
S2 Cu1 Pt1 Pt2 -154.77(11) . . . . ?
S3 Cu1 Pt1 Pt2 -56.81(11) . . . . ?
Pt3 Cu1 Pt1 Pt2 -118.96(15) . . . . ?
Pt4 Cu1 Pt1 Pt2 151.15(7) . . . . ?
S1 Cu1 Pt2 S4 -93.75(15) . . . . ?
S2 Cu1 Pt2 S4 142.8(3) . . . . ?
S3 Cu1 Pt2 S4 117.92(16) . . . . ?
Pt1 Cu1 Pt2 S4 58.83(11) . . . . ?
Pt3 Cu1 Pt2 S4 -149.11(13) . . . . ?
Pt4 Cu1 Pt2 S4 -52.94(16) . . . . ?
S4 Cu1 Pt2 S3 -117.92(16) . . . . ?
S1 Cu1 Pt2 S3 148.33(15) . . . . ?
S2 Cu1 Pt2 S3 24.8(3) . . . . ?
Pt1 Cu1 Pt2 S3 -59.10(11) . . . . ?
Pt3 Cu1 Pt2 S3 92.96(12) . . . . ?
Pt4 Cu1 Pt2 S3 -170.86(19) . . . . ?
S4 Cu1 Pt2 As3 64.62(12) . . . . ?
S1 Cu1 Pt2 As3 -29.13(12) . . . . ?
S2 Cu1 Pt2 As3 -152.6(3) . . . . ?
S3 Cu1 Pt2 As3 -177.46(12) . . . . ?
Pt1 Cu1 Pt2 As3 123.45(5) . . . . ?
Pt3 Cu1 Pt2 As3 -84.49(7) . . . . ?
Pt4 Cu1 Pt2 As3 11.68(16) . . . . ?
S4 Cu1 Pt2 As4 -179.11(12) . . . . ?
S1 Cu1 Pt2 As4 87.14(11) . . . . ?
S2 Cu1 Pt2 As4 -36.3(3) . . . . ?
S3 Cu1 Pt2 As4 -61.19(12) . . . . ?
Pt1 Cu1 Pt2 As4 -120.29(6) . . . . ?
Pt3 Cu1 Pt2 As4 31.77(9) . . . . ?
Pt4 Cu1 Pt2 As4 127.95(13) . . . . ?
S4 Cu1 Pt2 Pt1 -58.83(11) . . . . ?
S1 Cu1 Pt2 Pt1 -152.57(11) . . . . ?
S2 Cu1 Pt2 Pt1 83.9(3) . . . . ?
S3 Cu1 Pt2 Pt1 59.10(11) . . . . ?
Pt3 Cu1 Pt2 Pt1 152.06(7) . . . . ?
Pt4 Cu1 Pt2 Pt1 -111.77(14) . . . . ?
S3 Pt1 Pt2 S4 -128.67(16) . . . . ?
As1 Pt1 Pt2 S4 55.01(12) . . . . ?
As2 Pt1 Pt2 S4 -172.14(13) . . . . ?
Cu1 Pt1 Pt2 S4 -63.95(12) . . . . ?
S4 Pt1 Pt2 S3 128.67(16) . . . . ?
As1 Pt1 Pt2 S3 -176.32(12) . . . . ?
As2 Pt1 Pt2 S3 -43.47(12) . . . . ?
Cu1 Pt1 Pt2 S3 64.73(11) . . . . ?
S4 Pt1 Pt2 As3 -41.19(12) . . . . ?
S3 Pt1 Pt2 As3 -169.87(12) . . . . ?
As1 Pt1 Pt2 As3 13.82(8) . . . . ?
As2 Pt1 Pt2 As3 146.67(7) . . . . ?
Cu1 Pt1 Pt2 As3 -105.14(6) . . . . ?
S4 Pt1 Pt2 As4 -178.74(13) . . . . ?
S3 Pt1 Pt2 As4 52.59(12) . . . . ?
As1 Pt1 Pt2 As4 -123.73(7) . . . . ?
As2 Pt1 Pt2 As4 9.12(8) . . . . ?
Cu1 Pt1 Pt2 As4 117.32(6) . . . . ?
S4 Pt1 Pt2 Cu1 63.95(12) . . . . ?
S3 Pt1 Pt2 Cu1 -64.73(11) . . . . ?
As1 Pt1 Pt2 Cu1 118.96(6) . . . . ?
As2 Pt1 Pt2 Cu1 -108.19(6) . . . . ?
S4 Cu1 Pt3 S1 23.9(3) . . . . ?
S2 Cu1 Pt3 S1 -118.03(16) . . . . ?
S3 Cu1 Pt3 S1 147.24(17) . . . . ?
Pt1 Cu1 Pt3 S1 -163.9(2) . . . . ?
Pt2 Cu1 Pt3 S1 91.17(13) . . . . ?
Pt4 Cu1 Pt3 S1 -58.90(12) . . . . ?
S4 Cu1 Pt3 S2 141.9(3) . . . . ?
S1 Cu1 Pt3 S2 118.03(16) . . . . ?
S3 Cu1 Pt3 S2 -94.73(15) . . . . ?
Pt1 Cu1 Pt3 S2 -45.86(16) . . . . ?
Pt2 Cu1 Pt3 S2 -150.81(13) . . . . ?
Pt4 Cu1 Pt3 S2 59.12(11) . . . . ?
S4 Cu1 Pt3 As6 -155.1(2) . . . . ?
S1 Cu1 Pt3 As6 -178.99(13) . . . . ?
S2 Cu1 Pt3 As6 62.98(12) . . . . ?
S3 Cu1 Pt3 As6 -31.75(13) . . . . ?
Pt1 Cu1 Pt3 As6 17.12(17) . . . . ?
Pt2 Cu1 Pt3 As6 -87.83(8) . . . . ?
Pt4 Cu1 Pt3 As6 122.10(6) . . . . ?
S4 Cu1 Pt3 As5 -33.9(3) . . . . ?
S1 Cu1 Pt3 As5 -57.75(13) . . . . ?
S2 Cu1 Pt3 As5 -175.78(11) . . . . ?
S3 Cu1 Pt3 As5 89.49(12) . . . . ?
Pt1 Cu1 Pt3 As5 138.37(13) . . . . ?
Pt2 Cu1 Pt3 As5 33.41(9) . . . . ?
Pt4 Cu1 Pt3 As5 -116.66(6) . . . . ?
S4 Cu1 Pt3 Pt4 82.8(3) . . . . ?
S1 Cu1 Pt3 Pt4 58.90(12) . . . . ?
S2 Cu1 Pt3 Pt4 -59.12(11) . . . . ?
S3 Cu1 Pt3 Pt4 -153.85(12) . . . . ?
Pt1 Cu1 Pt3 Pt4 -104.98(15) . . . . ?
Pt2 Cu1 Pt3 Pt4 150.07(7) . . . . ?
S4 Cu1 Pt4 S1 -93.81(15) . . . . ?
S2 Cu1 Pt4 S1 118.98(16) . . . . ?
S3 Cu1 Pt4 S1 144.6(3) . . . . ?
Pt1 Cu1 Pt4 S1 -150.79(13) . . . . ?
Pt3 Cu1 Pt4 S1 59.18(11) . . . . ?
Pt2 Cu1 Pt4 S1 -52.78(16) . . . . ?
S4 Cu1 Pt4 S2 147.21(16) . . . . ?
S1 Cu1 Pt4 S2 -118.98(16) . . . . ?
S3 Cu1 Pt4 S2 25.6(3) . . . . ?
Pt1 Cu1 Pt4 S2 90.23(13) . . . . ?
Pt3 Cu1 Pt4 S2 -59.80(11) . . . . ?
Pt2 Cu1 Pt4 S2 -171.76(19) . . . . ?
S4 Cu1 Pt4 As7 -33.13(13) . . . . ?
S1 Cu1 Pt4 As7 60.68(12) . . . . ?
S2 Cu1 Pt4 As7 179.66(12) . . . . ?
S3 Cu1 Pt4 As7 -154.7(2) . . . . ?
Pt1 Cu1 Pt4 As7 -90.11(8) . . . . ?
Pt3 Cu1 Pt4 As7 119.86(6) . . . . ?
Pt2 Cu1 Pt4 As7 7.90(16) . . . . ?
S4 Cu1 Pt4 As8 90.52(12) . . . . ?
S1 Cu1 Pt4 As8 -175.66(12) . . . . ?
S2 Cu1 Pt4 As8 -56.69(13) . . . . ?
S3 Cu1 Pt4 As8 -31.1(3) . . . . ?
Pt1 Cu1 Pt4 As8 33.54(10) . . . . ?
Pt3 Cu1 Pt4 As8 -116.49(6) . . . . ?
Pt2 Cu1 Pt4 As8 131.55(13) . . . . ?
S4 Cu1 Pt4 Pt3 -152.99(12) . . . . ?
S1 Cu1 Pt4 Pt3 -59.18(11) . . . . ?
S2 Cu1 Pt4 Pt3 59.80(11) . . . . ?
S3 Cu1 Pt4 Pt3 85.4(2) . . . . ?
Pt1 Cu1 Pt4 Pt3 150.03(7) . . . . ?
Pt2 Cu1 Pt4 Pt3 -111.96(14) . . . . ?
S2 Pt3 Pt4 S1 -122.28(16) . . . . ?
As6 Pt3 Pt4 S1 -173.99(12) . . . . ?
As5 Pt3 Pt4 S1 60.31(12) . . . . ?
Cu1 Pt3 Pt4 S1 -61.14(11) . . . . ?
S1 Pt3 Pt4 S2 122.28(16) . . . . ?
As6 Pt3 Pt4 S2 -51.71(13) . . . . ?
As5 Pt3 Pt4 S2 -177.41(13) . . . . ?
Cu1 Pt3 Pt4 S2 61.14(12) . . . . ?
S1 Pt3 Pt4 As7 -50.53(12) . . . . ?
S2 Pt3 Pt4 As7 -172.81(13) . . . . ?
As6 Pt3 Pt4 As7 135.48(7) . . . . ?
As5 Pt3 Pt4 As7 9.78(8) . . . . ?
Cu1 Pt3 Pt4 As7 -111.66(7) . . . . ?
S1 Pt3 Pt4 As8 -174.63(12) . . . . ?
S2 Pt3 Pt4 As8 63.08(13) . . . . ?
As6 Pt3 Pt4 As8 11.37(8) . . . . ?
As5 Pt3 Pt4 As8 -114.33(7) . . . . ?
Cu1 Pt3 Pt4 As8 124.23(6) . . . . ?
S1 Pt3 Pt4 Cu1 61.14(11) . . . . ?
S2 Pt3 Pt4 Cu1 -61.14(12) . . . . ?
As6 Pt3 Pt4 Cu1 -112.86(6) . . . . ?
As5 Pt3 Pt4 Cu1 121.45(6) . . . . ?
S4 Pt1 As1 C9 -70.7(5) . . . . ?
As2 Pt1 As1 C9 104.1(5) . . . . ?
Cu1 Pt1 As1 C9 -27.1(5) . . . . ?
Pt2 Pt1 As1 C9 -107.5(4) . . . . ?
S4 Pt1 As1 C15 57.6(5) . . . . ?
As2 Pt1 As1 C15 -127.6(5) . . . . ?
Cu1 Pt1 As1 C15 101.2(5) . . . . ?
Pt2 Pt1 As1 C15 20.8(5) . . . . ?
S4 Pt1 As1 C1 172.5(4) . . . . ?
As2 Pt1 As1 C1 -12.7(4) . . . . ?
Cu1 Pt1 As1 C1 -143.9(4) . . . . ?
Pt2 Pt1 As1 C1 135.7(4) . . . . ?
S3 Pt1 As2 C31 57.1(5) . . . . ?
As1 Pt1 As2 C31 -127.0(5) . . . . ?
Cu1 Pt1 As2 C31 9.6(5) . . . . ?
Pt2 Pt1 As2 C31 87.3(5) . . . . ?
S3 Pt1 As2 C2 173.6(4) . . . . ?
As1 Pt1 As2 C2 -10.5(4) . . . . ?
Cu1 Pt1 As2 C2 126.1(4) . . . . ?
Pt2 Pt1 As2 C2 -156.2(4) . . . . ?
S3 Pt1 As2 C25 -69.9(4) . . . . ?
As1 Pt1 As2 C25 106.0(4) . . . . ?
Cu1 Pt1 As2 C25 -117.4(4) . . . . ?
Pt2 Pt1 As2 C25 -39.7(4) . . . . ?
S4 Pt2 As3 C3 173.1(5) . . . . ?
As4 Pt2 As3 C3 -7.9(5) . . . . ?
Cu1 Pt2 As3 C3 129.8(5) . . . . ?
Pt1 Pt2 As3 C3 -158.5(5) . . . . ?
S4 Pt2 As3 C37 56.5(5) . . . . ?
As4 Pt2 As3 C37 -124.6(5) . . . . ?
Cu1 Pt2 As3 C37 13.1(5) . . . . ?
Pt1 Pt2 As3 C37 84.9(5) . . . . ?
S4 Pt2 As3 C43 -64.7(6) . . . . ?
As4 Pt2 As3 C43 114.3(6) . . . . ?
Cu1 Pt2 As3 C43 -108.0(6) . . . . ?
Pt1 Pt2 As3 C43 -36.3(6) . . . . ?
S3 Pt2 As4 C4 172.4(5) . . . . ?
As3 Pt2 As4 C4 -13.9(5) . . . . ?
Cu1 Pt2 As4 C4 -145.0(5) . . . . ?
Pt1 Pt2 As4 C4 136.8(5) . . . . ?
S3 Pt2 As4 C55 -74.0(4) . . . . ?
As3 Pt2 As4 C55 99.7(4) . . . . ?
Cu1 Pt2 As4 C55 -31.4(4) . . . . ?
Pt1 Pt2 As4 C55 -109.6(4) . . . . ?
S3 Pt2 As4 C49 51.8(4) . . . . ?
As3 Pt2 As4 C49 -134.5(4) . . . . ?
Cu1 Pt2 As4 C49 94.4(4) . . . . ?
Pt1 Pt2 As4 C49 16.2(4) . . . . ?
S1 Pt3 As5 C61 -50.1(5) . . . . ?
As6 Pt3 As5 C61 126.5(5) . . . . ?
Cu1 Pt3 As5 C61 -9.7(5) . . . . ?
Pt4 Pt3 As5 C61 -90.8(5) . . . . ?
S1 Pt3 As5 C67 78.9(4) . . . . ?
As6 Pt3 As5 C67 -104.5(4) . . . . ?
Cu1 Pt3 As5 C67 119.3(4) . . . . ?
Pt4 Pt3 As5 C67 38.3(4) . . . . ?
S1 Pt3 As5 C5 -170.4(5) . . . . ?
As6 Pt3 As5 C5 6.2(5) . . . . ?
Cu1 Pt3 As5 C5 -129.9(5) . . . . ?
Pt4 Pt3 As5 C5 149.0(5) . . . . ?
S2 Pt3 As6 C73 -36.5(5) . . . . ?
As5 Pt3 As6 C73 140.1(5) . . . . ?
Cu1 Pt3 As6 C73 -79.5(5) . . . . ?
Pt4 Pt3 As6 C73 -0.5(5) . . . . ?
S2 Pt3 As6 C79 84.1(5) . . . . ?
As5 Pt3 As6 C79 -99.3(4) . . . . ?
Cu1 Pt3 As6 C79 41.2(5) . . . . ?
Pt4 Pt3 As6 C79 120.1(4) . . . . ?
S2 Pt3 As6 C6 -160.0(5) . . . . ?
As5 Pt3 As6 C6 16.6(5) . . . . ?
Cu1 Pt3 As6 C6 157.1(5) . . . . ?
Pt4 Pt3 As6 C6 -124.0(5) . . . . ?
S1 Pt4 As7 C91 83.7(5) . . . . ?
As8 Pt4 As7 C91 -101.2(5) . . . . ?
Cu1 Pt4 As7 C91 42.3(5) . . . . ?
Pt3 Pt4 As7 C91 118.7(5) . . . . ?
S1 Pt4 As7 C85 -39.1(5) . . . . ?
As8 Pt4 As7 C85 136.0(5) . . . . ?
Cu1 Pt4 As7 C85 -80.5(5) . . . . ?
Pt3 Pt4 As7 C85 -4.1(5) . . . . ?
S1 Pt4 As7 C8 -159.4(5) . . . . ?
As8 Pt4 As7 C8 15.8(5) . . . . ?
Cu1 Pt4 As7 C8 159.3(5) . . . . ?
Pt3 Pt4 As7 C8 -124.4(5) . . . . ?
S2 Pt4 As8 C97 -50.8(5) . . . . ?
As7 Pt4 As8 C97 126.1(5) . . . . ?
Cu1 Pt4 As8 C97 -10.9(5) . . . . ?
Pt3 Pt4 As8 C97 -93.2(5) . . . . ?
S2 Pt4 As8 C103 75.6(4) . . . . ?
As7 Pt4 As8 C103 -107.6(4) . . . . ?
Cu1 Pt4 As8 C103 115.4(4) . . . . ?
Pt3 Pt4 As8 C103 33.2(4) . . . . ?
S2 Pt4 As8 C7 -170.9(5) . . . . ?
As7 Pt4 As8 C7 6.0(5) . . . . ?
Cu1 Pt4 As8 C7 -131.0(5) . . . . ?
Pt3 Pt4 As8 C7 146.7(4) . . . . ?
S4 Cu1 S1 Pt3 -169.66(12) . . . . ?
S2 Cu1 S1 Pt3 43.15(11) . . . . ?
S3 Cu1 S1 Pt3 -68.4(3) . . . . ?
Pt1 Cu1 S1 Pt3 163.3(2) . . . . ?
Pt2 Cu1 S1 Pt3 -117.00(8) . . . . ?
Pt4 Cu1 S1 Pt3 85.44(10) . . . . ?
S4 Cu1 S1 Pt4 104.89(13) . . . . ?
S2 Cu1 S1 Pt4 -42.30(11) . . . . ?
S3 Cu1 S1 Pt4 -153.9(2) . . . . ?
Pt1 Cu1 S1 Pt4 77.8(3) . . . . ?
Pt3 Cu1 S1 Pt4 -85.44(10) . . . . ?
Pt2 Cu1 S1 Pt4 157.55(7) . . . . ?
S2 Pt3 S1 Cu1 -42.74(12) . . . . ?
As5 Pt3 S1 Cu1 140.68(9) . . . . ?
Pt4 Pt3 S1 Cu1 -82.31(11) . . . . ?
S2 Pt3 S1 Pt4 39.57(11) . . . . ?
As5 Pt3 S1 Pt4 -137.01(8) . . . . ?
Cu1 Pt3 S1 Pt4 82.31(11) . . . . ?
S2 Pt4 S1 Cu1 42.03(11) . . . . ?
As7 Pt4 S1 Cu1 -134.44(8) . . . . ?
Pt3 Pt4 S1 Cu1 81.70(10) . . . . ?
S2 Pt4 S1 Pt3 -39.68(11) . . . . ?
As7 Pt4 S1 Pt3 143.85(8) . . . . ?
Cu1 Pt4 S1 Pt3 -81.70(10) . . . . ?
S4 Cu1 S2 Pt4 -66.5(2) . . . . ?
S1 Cu1 S2 Pt4 42.14(11) . . . . ?
S3 Cu1 S2 Pt4 -169.37(11) . . . . ?
Pt1 Cu1 S2 Pt4 -114.79(8) . . . . ?
Pt3 Cu1 S2 Pt4 84.90(10) . . . . ?
Pt2 Cu1 S2 Pt4 170.9(2) . . . . ?
S4 Cu1 S2 Pt3 -151.4(2) . . . . ?
S1 Cu1 S2 Pt3 -42.76(10) . . . . ?
S3 Cu1 S2 Pt3 105.73(12) . . . . ?
Pt1 Cu1 S2 Pt3 160.31(7) . . . . ?
Pt2 Cu1 S2 Pt3 86.0(3) . . . . ?
Pt4 Cu1 S2 Pt3 -84.90(10) . . . . ?
S1 Pt4 S2 Cu1 -41.97(11) . . . . ?
As8 Pt4 S2 Cu1 142.89(8) . . . . ?
Pt3 Pt4 S2 Cu1 -81.29(11) . . . . ?
S1 Pt4 S2 Pt3 39.32(11) . . . . ?
As8 Pt4 S2 Pt3 -135.82(8) . . . . ?
Cu1 Pt4 S2 Pt3 81.29(11) . . . . ?
S1 Pt3 S2 Cu1 42.72(11) . . . . ?
As6 Pt3 S2 Cu1 -133.69(8) . . . . ?
Pt4 Pt3 S2 Cu1 82.17(10) . . . . ?
S1 Pt3 S2 Pt4 -39.45(11) . . . . ?
As6 Pt3 S2 Pt4 144.15(8) . . . . ?
Cu1 Pt3 S2 Pt4 -82.17(10) . . . . ?
S4 Pt1 S3 Pt2 -34.92(11) . . . . ?
As2 Pt1 S3 Pt2 150.51(8) . . . . ?
Cu1 Pt1 S3 Pt2 -81.05(9) . . . . ?
S4 Pt1 S3 Cu1 46.13(11) . . . . ?
As2 Pt1 S3 Cu1 -128.45(8) . . . . ?
Pt2 Pt1 S3 Cu1 81.05(9) . . . . ?
S4 Pt2 S3 Pt1 34.68(11) . . . . ?
As4 Pt2 S3 Pt1 -144.28(8) . . . . ?
Cu1 Pt2 S3 Pt1 77.22(9) . . . . ?
S4 Pt2 S3 Cu1 -42.54(11) . . . . ?
As4 Pt2 S3 Cu1 138.50(8) . . . . ?
Pt1 Pt2 S3 Cu1 -77.22(9) . . . . ?
S4 Cu1 S3 Pt1 -46.18(11) . . . . ?
S1 Cu1 S3 Pt1 -154.7(2) . . . . ?
S2 Cu1 S3 Pt1 101.19(12) . . . . ?
Pt3 Cu1 S3 Pt1 154.80(7) . . . . ?
Pt2 Cu1 S3 Pt1 -89.08(9) . . . . ?
Pt4 Cu1 S3 Pt1 80.9(3) . . . . ?
S4 Cu1 S3 Pt2 42.90(11) . . . . ?
S1 Cu1 S3 Pt2 -65.6(3) . . . . ?
S2 Cu1 S3 Pt2 -169.72(12) . . . . ?
Pt1 Cu1 S3 Pt2 89.08(9) . . . . ?
Pt3 Cu1 S3 Pt2 -116.11(8) . . . . ?
Pt4 Cu1 S3 Pt2 170.0(2) . . . . ?
S1 Cu1 S4 Pt1 -165.59(12) . . . . ?
S2 Cu1 S4 Pt1 -64.3(2) . . . . ?
S3 Cu1 S4 Pt1 46.35(11) . . . . ?
Pt3 Cu1 S4 Pt1 175.6(2) . . . . ?
Pt2 Cu1 S4 Pt1 89.25(9) . . . . ?
Pt4 Cu1 S4 Pt1 -113.22(8) . . . . ?
S1 Cu1 S4 Pt2 105.16(13) . . . . ?
S2 Cu1 S4 Pt2 -153.5(2) . . . . ?
S3 Cu1 S4 Pt2 -42.89(11) . . . . ?
Pt1 Cu1 S4 Pt2 -89.25(9) . . . . ?
Pt3 Cu1 S4 Pt2 86.4(2) . . . . ?
Pt4 Cu1 S4 Pt2 157.54(7) . . . . ?
S3 Pt1 S4 Cu1 -46.61(11) . . . . ?
As1 Pt1 S4 Cu1 137.66(8) . . . . ?
Pt2 Pt1 S4 Cu1 -81.57(10) . . . . ?
S3 Pt1 S4 Pt2 34.97(11) . . . . ?
As1 Pt1 S4 Pt2 -140.77(8) . . . . ?
Cu1 Pt1 S4 Pt2 81.57(10) . . . . ?
S3 Pt2 S4 Cu1 43.03(11) . . . . ?
As3 Pt2 S4 Cu1 -130.63(8) . . . . ?
Pt1 Pt2 S4 Cu1 77.94(10) . . . . ?
S3 Pt2 S4 Pt1 -34.90(11) . . . . ?
As3 Pt2 S4 Pt1 151.43(8) . . . . ?
Cu1 Pt2 S4 Pt1 -77.94(10) . . . . ?
C9 As1 C1 C2 -83.7(10) . . . . ?
C15 As1 C1 C2 166.7(9) . . . . ?
Pt1 As1 C1 C2 40.5(10) . . . . ?
As1 C1 C2 As2 -49.5(10) . . . . ?
C31 As2 C2 C1 165.7(9) . . . . ?
C25 As2 C2 C1 -84.1(9) . . . . ?
Pt1 As2 C2 C1 38.5(9) . . . . ?
C37 As3 C3 C4 160.8(10) . . . . ?
C43 As3 C3 C4 -91.7(11) . . . . ?
Pt2 As3 C3 C4 36.2(11) . . . . ?
As3 C3 C4 As4 -48.6(12) . . . . ?
C55 As4 C4 C3 -79.0(11) . . . . ?
C49 As4 C4 C3 170.3(10) . . . . ?
Pt2 As4 C4 C3 40.2(11) . . . . ?
C61 As5 C5 C6 -166.1(10) . . . . ?
C67 As5 C5 C6 83.3(11) . . . . ?
Pt3 As5 C5 C6 -35.7(11) . . . . ?
As5 C5 C6 As6 49.1(11) . . . . ?
C73 As6 C6 C5 -173.6(9) . . . . ?
C79 As6 C6 C5 76.7(10) . . . . ?
Pt3 As6 C6 C5 -42.6(10) . . . . ?
C97 As8 C7 C8 -164.1(10) . . . . ?
C103 As8 C7 C8 86.7(11) . . . . ?
Pt4 As8 C7 C8 -32.4(11) . . . . ?
As8 C7 C8 As7 46.5(12) . . . . ?
C91 As7 C8 C7 77.7(11) . . . . ?
C85 As7 C8 C7 -171.7(9) . . . . ?
Pt4 As7 C8 C7 -41.9(11) . . . . ?
C15 As1 C9 C10 -113.2(12) . . . . ?
C1 As1 C9 C10 140.4(12) . . . . ?
Pt1 As1 C9 C10 21.5(13) . . . . ?
C15 As1 C9 C14 67.5(12) . . . . ?
C1 As1 C9 C14 -38.8(12) . . . . ?
Pt1 As1 C9 C14 -157.8(10) . . . . ?
C14 C9 C10 C11 -2(2) . . . . ?
As1 C9 C10 C11 178.4(12) . . . . ?
C9 C10 C11 C12 3(3) . . . . ?
C10 C11 C12 C13 -1(2) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C12 C13 C14 C9 2(2) . . . . ?
C10 C9 C14 C13 0(2) . . . . ?
As1 C9 C14 C13 179.4(11) . . . . ?
C9 As1 C15 C16 -176.7(19) . . . . ?
C1 As1 C15 C16 -68(2) . . . . ?
Pt1 As1 C15 C16 50(2) . . . . ?
C9 As1 C15 C20 2.3(19) . . . . ?
C1 As1 C15 C20 110.8(19) . . . . ?
Pt1 As1 C15 C20 -130.6(18) . . . . ?
C9 As1 C15 C24 -61.1(19) . . . . ?
C1 As1 C15 C24 47.5(19) . . . . ?
Pt1 As1 C15 C24 166.1(17) . . . . ?
C9 As1 C15 C21 139.0(16) . . . . ?
C1 As1 C15 C21 -112.4(17) . . . . ?
Pt1 As1 C15 C21 6.2(18) . . . . ?
C20 C15 C16 C17 -2(5) . . . . ?
C24 C15 C16 C17 44(4) . . . . ?
C21 C15 C16 C17 -77(4) . . . . ?
As1 C15 C16 C17 177(3) . . . . ?
C23 C18 C17 C16 -41(5) . . . . ?
C22 C18 C17 C16 88(5) . . . . ?
C19 C18 C17 C16 4(5) . . . . ?
C15 C16 C17 C18 -3(6) . . . . ?
C17 C18 C19 C20 -1(5) . . . . ?
C23 C18 C19 C20 85(4) . . . . ?
C22 C18 C19 C20 -42(4) . . . . ?
C16 C15 C20 C19 5(4) . . . . ?
C24 C15 C20 C19 -61(3) . . . . ?
C21 C15 C20 C19 44(4) . . . . ?
As1 C15 C20 C19 -174(2) . . . . ?
C18 C19 C20 C15 -4(5) . . . . ?
C16 C15 C21 C22 76(4) . . . . ?
C20 C15 C21 C22 -45(4) . . . . ?
C24 C15 C21 C22 9(4) . . . . ?
As1 C15 C21 C22 172(3) . . . . ?
C15 C21 C22 C18 -2(5) . . . . ?
C17 C18 C22 C21 -69(4) . . . . ?
C23 C18 C22 C21 -2(4) . . . . ?
C19 C18 C22 C21 40(4) . . . . ?
C17 C18 C23 C24 35(4) . . . . ?
C22 C18 C23 C24 -2(4) . . . . ?
C19 C18 C23 C24 -74(4) . . . . ?
C16 C15 C24 C23 -49(3) . . . . ?
C20 C15 C24 C23 79(3) . . . . ?
C21 C15 C24 C23 -14(4) . . . . ?
As1 C15 C24 C23 -175(2) . . . . ?
C18 C23 C24 C15 11(5) . . . . ?
C31 As2 C25 C26 -129.0(11) . . . . ?
C2 As2 C25 C26 123.0(10) . . . . ?
Pt1 As2 C25 C26 4.9(11) . . . . ?
C31 As2 C25 C30 52.9(11) . . . . ?
C2 As2 C25 C30 -55.0(11) . . . . ?
Pt1 As2 C25 C30 -173.1(9) . . . . ?
C30 C25 C26 C27 0(2) . . . . ?
As2 C25 C26 C27 -178.0(9) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C28 C29 C30 C25 -2(2) . . . . ?
C26 C25 C30 C29 1(2) . . . . ?
As2 C25 C30 C29 178.9(10) . . . . ?
C2 As2 C31 C36 31.5(12) . . . . ?
C25 As2 C31 C36 -78.2(12) . . . . ?
Pt1 As2 C31 C36 150.7(10) . . . . ?
C2 As2 C31 C32 -145.4(11) . . . . ?
C25 As2 C31 C32 104.9(12) . . . . ?
Pt1 As2 C31 C32 -26.2(13) . . . . ?
C36 C31 C32 C33 2(2) . . . . ?
As2 C31 C32 C33 178.5(12) . . . . ?
C31 C32 C33 C34 -2(2) . . . . ?
C32 C33 C34 C35 3(3) . . . . ?
C33 C34 C35 C36 -4(2) . . . . ?
C32 C31 C36 C35 -2(2) . . . . ?
As2 C31 C36 C35 -178.8(10) . . . . ?
C34 C35 C36 C31 3(2) . . . . ?
C3 As3 C37 C38 -126.2(12) . . . . ?
C43 As3 C37 C38 121.4(13) . . . . ?
Pt2 As3 C37 C38 -7.9(13) . . . . ?
C3 As3 C37 C42 49.6(12) . . . . ?
C43 As3 C37 C42 -62.8(13) . . . . ?
Pt2 As3 C37 C42 167.9(9) . . . . ?
C42 C37 C38 C39 1(2) . . . . ?
As3 C37 C38 C39 177.1(11) . . . . ?
C37 C38 C39 C40 -2(2) . . . . ?
C38 C39 C40 C41 3(3) . . . . ?
C39 C40 C41 C42 -3(3) . . . . ?
C40 C41 C42 C37 2(2) . . . . ?
C38 C37 C42 C41 -2(2) . . . . ?
As3 C37 C42 C41 -177.5(11) . . . . ?
C3 As3 C43 C48 -177.9(19) . . . . ?
C37 As3 C43 C48 -68(2) . . . . ?
Pt2 As3 C43 C48 60(2) . . . . ?
C3 As3 C43 C44 -7.1(16) . . . . ?
C37 As3 C43 C44 102.3(15) . . . . ?
Pt2 As3 C43 C44 -128.9(14) . . . . ?
C48 C43 C44 C45 -4(3) . . . . ?
As3 C43 C44 C45 -174.3(17) . . . . ?
C43 C44 C45 C46 2(4) . . . . ?
C44 C45 C46 C47 4(5) . . . . ?
C45 C46 C47 C48 -9(5) . . . . ?
C44 C43 C48 C47 -1(4) . . . . ?
As3 C43 C48 C47 170(2) . . . . ?
C46 C47 C48 C43 7(5) . . . . ?
C4 As4 C49 C50 -175.2(11) . . . . ?
C55 As4 C49 C50 75.5(12) . . . . ?
Pt2 As4 C49 C50 -53.3(12) . . . . ?
C4 As4 C49 C54 6.9(12) . . . . ?
C55 As4 C49 C54 -102.5(11) . . . . ?
Pt2 As4 C49 C54 128.7(10) . . . . ?
C54 C49 C50 C51 -2(2) . . . . ?
As4 C49 C50 C51 -179.7(10) . . . . ?
C49 C50 C51 C52 3(2) . . . . ?
C52 C53 C54 C49 -1(2) . . . . ?
C50 C49 C54 C53 1(2) . . . . ?
As4 C49 C54 C53 178.8(9) . . . . ?
C50 C51 C52 C53 -2(2) . . . . ?
C54 C53 C52 C51 2(2) . . . . ?
C4 As4 C55 C60 -22.7(13) . . . . ?
C49 As4 C55 C60 87.6(13) . . . . ?
Pt2 As4 C55 C60 -138.7(11) . . . . ?
C4 As4 C55 C56 155.9(10) . . . . ?
C49 As4 C55 C56 -93.8(10) . . . . ?
Pt2 As4 C55 C56 39.9(11) . . . . ?
C60 C55 C56 C57 0(2) . . . . ?
As4 C55 C56 C57 -178.7(10) . . . . ?
C55 C56 C57 C58 1(2) . . . . ?
C56 C57 C58 C59 1(2) . . . . ?
C57 C58 C59 C60 -4(3) . . . . ?
C56 C55 C60 C59 -3(2) . . . . ?
As4 C55 C60 C59 175.9(13) . . . . ?
C58 C59 C60 C55 5(3) . . . . ?
C67 As5 C61 C62 70.1(13) . . . . ?
C5 As5 C61 C62 -36.4(14) . . . . ?
Pt3 As5 C61 C62 -158.1(11) . . . . ?
C67 As5 C61 C66 -111.5(11) . . . . ?
C5 As5 C61 C66 142.1(11) . . . . ?
Pt3 As5 C61 C66 20.3(13) . . . . ?
C66 C61 C62 C63 2(2) . . . . ?
As5 C61 C62 C63 -179.5(13) . . . . ?
C64 C63 C62 C61 -4(3) . . . . ?
C62 C63 C64 C65 3(3) . . . . ?
C66 C65 C64 C63 0(3) . . . . ?
C64 C65 C66 C61 -2(2) . . . . ?
C62 C61 C66 C65 1(2) . . . . ?
As5 C61 C66 C65 -177.9(12) . . . . ?
C61 As5 C67 C72 165.1(10) . . . . ?
C5 As5 C67 C72 -85.9(11) . . . . ?
Pt3 As5 C67 C72 28.9(11) . . . . ?
C61 As5 C67 C68 -22.0(13) . . . . ?
C5 As5 C67 C68 86.9(12) . . . . ?
Pt3 As5 C67 C68 -158.2(10) . . . . ?
C72 C67 C68 C69 -3(2) . . . . ?
As5 C67 C68 C69 -175.8(12) . . . . ?
C67 C68 C69 C70 3(2) . . . . ?
C68 C69 C70 C71 -2(3) . . . . ?
C69 C70 C71 C72 2(2) . . . . ?
C70 C71 C72 C67 -2(2) . . . . ?
C68 C67 C72 C71 3(2) . . . . ?
As5 C67 C72 C71 175.7(12) . . . . ?
C79 As6 C73 C78 -138.6(12) . . . . ?
C6 As6 C73 C78 109.9(12) . . . . ?
Pt3 As6 C73 C78 -14.0(14) . . . . ?
C79 As6 C73 C74 37.7(14) . . . . ?
C6 As6 C73 C74 -73.9(14) . . . . ?
Pt3 As6 C73 C74 162.2(11) . . . . ?
C78 C73 C74 C75 1(2) . . . . ?
As6 C73 C74 C75 -174.9(13) . . . . ?
C73 C74 C75 C76 -1(3) . . . . ?
C74 C75 C76 C77 0(3) . . . . ?
C75 C76 C77 C78 0(3) . . . . ?
C74 C73 C78 C77 -1(2) . . . . ?
As6 C73 C78 C77 175.8(11) . . . . ?
C76 C77 C78 C73 0(2) . . . . ?
C73 As6 C79 C84 89.6(11) . . . . ?
C6 As6 C79 C84 -157.9(11) . . . . ?
Pt3 As6 C79 C84 -40.7(12) . . . . ?
C73 As6 C79 C80 -91.3(13) . . . . ?
C6 As6 C79 C80 21.2(14) . . . . ?
Pt3 As6 C79 C80 138.4(11) . . . . ?
C84 C79 C80 C81 -1(2) . . . . ?
As6 C79 C80 C81 179.8(12) . . . . ?
C79 C80 C81 C82 -1(3) . . . . ?
C80 C81 C82 C83 2(3) . . . . ?
C81 C82 C83 C84 0(2) . . . . ?
C82 C83 C84 C79 -2(2) . . . . ?
C80 C79 C84 C83 3(2) . . . . ?
As6 C79 C84 C83 -178.1(11) . . . . ?
C91 As7 C85 C90 -140.4(12) . . . . ?
C8 As7 C85 C90 107.2(13) . . . . ?
Pt4 As7 C85 C90 -14.5(14) . . . . ?
C91 As7 C85 C86 37.9(14) . . . . ?
C8 As7 C85 C86 -74.5(13) . . . . ?
Pt4 As7 C85 C86 163.7(11) . . . . ?
C90 C85 C86 C87 -3(2) . . . . ?
As7 C85 C86 C87 178.2(13) . . . . ?
C85 C86 C87 C88 5(3) . . . . ?
C86 C87 C88 C89 -4(3) . . . . ?
C87 C88 C89 C90 2(3) . . . . ?
C86 C85 C90 C89 2(2) . . . . ?
As7 C85 C90 C89 179.9(13) . . . . ?
C88 C89 C90 C85 -1(3) . . . . ?
C85 As7 C91 C92 -94.5(14) . . . . ?
C8 As7 C91 C92 16.3(15) . . . . ?
Pt4 As7 C91 C92 133.8(13) . . . . ?
C85 As7 C91 C96 87.1(12) . . . . ?
C8 As7 C91 C96 -162.0(11) . . . . ?
Pt4 As7 C91 C96 -44.6(13) . . . . ?
C96 C91 C92 C93 -1(3) . . . . ?
As7 C91 C92 C93 -179.7(14) . . . . ?
C91 C92 C93 C94 4(3) . . . . ?
C92 C93 C94 C95 -3(3) . . . . ?
C93 C94 C95 C96 1(3) . . . . ?
C94 C95 C96 C91 2(2) . . . . ?
C92 C91 C96 C95 -1(2) . . . . ?
As7 C91 C96 C95 177.3(12) . . . . ?
C103 As8 C97 C102 -97.0(13) . . . . ?
C7 As8 C97 C102 155.3(12) . . . . ?
Pt4 As8 C97 C102 32.2(14) . . . . ?
C103 As8 C97 C98 80.6(13) . . . . ?
C7 As8 C97 C98 -27.1(14) . . . . ?
Pt4 As8 C97 C98 -150.2(11) . . . . ?
C102 C97 C98 C99 -4(2) . . . . ?
As8 C97 C98 C99 178.4(14) . . . . ?
C97 C98 C99 C100 4(3) . . . . ?
C98 C99 C100 C101 -2(3) . . . . ?
C99 C100 C101 C102 -1(3) . . . . ?
C100 C101 C102 C97 1(3) . . . . ?
C98 C97 C102 C101 2(2) . . . . ?
As8 C97 C102 C101 179.5(14) . . . . ?
C97 As8 C103 C108 152.2(11) . . . . ?
C7 As8 C103 C108 -100.4(12) . . . . ?
Pt4 As8 C103 C108 16.8(12) . . . . ?
C97 As8 C103 C104 -27.5(12) . . . . ?
C7 As8 C103 C104 79.9(11) . . . . ?
Pt4 As8 C103 C104 -162.9(9) . . . . ?
C108 C103 C104 C105 1(2) . . . . ?
As8 C103 C104 C105 -179.0(11) . . . . ?
C103 C104 C105 C106 -4(2) . . . . ?
C104 C105 C106 C107 4(2) . . . . ?
C105 C106 C107 C108 -3(3) . . . . ?
C106 C107 C108 C103 0(2) . . . . ?
C104 C103 C108 C107 0(2) . . . . ?
As8 C103 C108 C107 -179.2(11) . . . . ?
F22C B20C F21C F21C 73(7) . . . 3 ?
F24C B20C F21C F21C -176(7) . . . 3 ?
F23C B20C F21C F21C -51(7) . . . 3 ?
F21C B20C F21C B20C 0.00(3) 3 . . 3 ?
F22C B20C F21C B20C 73(7) . . . 3 ?
F24C B20C F21C B20C -176(7) . . . 3 ?
F23C B20C F21C B20C -51(7) . . . 3 ?
F21C B20C F21C F23C -97(9) 3 . . 3 ?
F22C B20C F21C F23C -24(6) . . . 3 ?
F24C B20C F21C F23C 88(6) . . . 3 ?
F23C B20C F21C F23C -148(4) . . . 3 ?
F22C B20C F23C F21C -99(4) . . . 3 ?
F21C B20C F23C F21C 26(4) . . . 3 ?
F24C B20C F23C F21C 154(4) . . . 3 ?
