#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008380.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_7008380
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 Hg Pt4 S4), 1.5Cl, 0.5(Cl H Cl), 2.5(C2 H6 O), H2 O'
_chemical_formula_sum            'C109 H113.5 As8 Cl2.5 Hg O3.5 Pt4 S4'
_chemical_formula_weight         3276.67
_chemical_name_common
;
tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)-
platinum)-mercury(ii) chloride hydrogen-dichloride ethanol water solvate
;
_chemical_name_systematic
;
tetrakis((μ₃-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-mercury(ii)
chloride hydrogen-dichloride ethanol water solvate
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2005-01-28T20:02:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 103.427(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   49.719(8)
_cell_length_b                   15.207(3)
_cell_length_c                   29.137(5)
_cell_measurement_reflns_used    1011
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      3.06
_cell_measurement_wavelength     0.71073
_cell_volume                     21428(7)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_data_reduction        'BRUKER Saint'
_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 (Beurskeins et al., 1999)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD Bruker Platform'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1284
_diffrn_reflns_av_unetI/netI     0.1045
_diffrn_reflns_limit_h_max       60
_diffrn_reflns_limit_h_min       -62
_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            91017
_diffrn_reflns_theta_full        26.47
_diffrn_reflns_theta_max         26.47
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    9.275
_exptl_absorpt_correction_T_max  0.757
_exptl_absorpt_correction_T_min  0.221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick,G.M. (1997). University of Gottingen, Germany.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             12464
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.376
_refine_diff_density_min         -2.158
_refine_diff_density_rms         0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1174
_refine_ls_number_reflns         21990
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0503P)²+38.1791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.1118
_reflns_number_gt                13193
_reflns_number_total             21990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502196k.txt
_cod_data_source_block           ub07fb1n
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7008380
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Hg1 Hg 0.135196(10) 0.87564(3) 0.587921(17) 0.02615(11) Uani 1 1 d . . .
Pt1 Pt 0.142095(9) 0.66848(3) 0.639504(15) 0.01863(10) Uani 1 1 d . . .
Pt2 Pt 0.152399(9) 1.06294(3) 0.584263(15) 0.01544(10) Uani 1 1 d . . .
Pt3 Pt 0.133968(9) 0.70275(3) 0.532717(15) 0.01836(10) Uani 1 1 d . . .
Pt4 Pt 0.104560(9) 1.02968(3) 0.644079(15) 0.01686(10) Uani 1 1 d . . .
As1 As 0.10317(2) 1.05500(7) 0.72371(4) 0.0200(3) Uani 1 1 d . . .
As2 As 0.05569(2) 1.03947(7) 0.62890(4) 0.0211(3) Uani 1 1 d . . .
As3 As 0.17816(2) 0.63192(7) 0.70542(4) 0.0198(2) Uani 1 1 d . . .
As4 As 0.11618(2) 0.56235(7) 0.66928(4) 0.0214(3) Uani 1 1 d . . .
As5 As 0.16512(2) 0.66772(8) 0.48505(4) 0.0222(3) Uani 1 1 d . . .
As6 As 0.09889(2) 0.65960(8) 0.46700(4) 0.0229(3) Uani 1 1 d . . .
As7 As 0.19943(2) 1.10536(7) 0.60459(4) 0.0185(2) Uani 1 1 d . . .
As8 As 0.15263(2) 1.12197(7) 0.50865(4) 0.0188(2) Uani 1 1 d . . .
S1 S 0.10648(5) 1.00783(17) 0.56519(10) 0.0172(6) Uani 1 1 d . . .
S2 S 0.15230(6) 1.00914(18) 0.65995(9) 0.0181(6) Uani 1 1 d . . .
S3 S 0.16833(6) 0.75318(17) 0.59845(10) 0.0193(6) Uani 1 1 d . . .
S4 S 0.10407(6) 0.72250(18) 0.58379(10) 0.0216(6) Uani 1 1 d . . .
C1 C 0.0652(2) 1.0791(8) 0.7264(4) 0.029(3) Uani 1 1 d . . .
H1A H 0.0625 1.0661 0.7583 0.035 Uiso 1 1 calc R . .
H1B H 0.0608 1.1419 0.7193 0.035 Uiso 1 1 calc R . .
C2 C 0.0461(2) 1.0207(7) 0.6896(4) 0.027(3) Uani 1 1 d . . .
H2A H 0.0265 1.0366 0.6873 0.033 Uiso 1 1 calc R . .
H2B H 0.0487 0.9581 0.6990 0.033 Uiso 1 1 calc R . .
C3 C 0.1661(2) 0.5290(7) 0.7360(4) 0.023(3) Uani 1 1 d . . .
H3A H 0.1694 0.4747 0.7194 0.028 Uiso 1 1 calc R . .
H3B H 0.1768 0.5250 0.7691 0.028 Uiso 1 1 calc R . .
C4 C 0.1357(2) 0.5373(7) 0.7347(4) 0.023(3) Uani 1 1 d . . .
H4A H 0.1327 0.5856 0.7557 0.028 Uiso 1 1 calc R . .
H4B H 0.1288 0.4820 0.7456 0.028 Uiso 1 1 calc R . .
C5 C 0.1430(3) 0.6471(8) 0.4215(4) 0.033(3) Uani 1 1 d . . .
H5A H 0.1388 0.7040 0.4049 0.040 Uiso 1 1 calc R . .
H5B H 0.1537 0.6107 0.4038 0.040 Uiso 1 1 calc R . .
C6 C 0.1167(3) 0.6016(9) 0.4229(4) 0.036(3) Uani 1 1 d . . .
H6A H 0.1206 0.5396 0.4326 0.043 Uiso 1 1 calc R . .
H6B H 0.1042 0.6019 0.3911 0.043 Uiso 1 1 calc R . .
C7 C 0.2099(2) 1.1412(8) 0.5473(4) 0.029(3) Uani 1 1 d . . .
H7A H 0.2266 1.1790 0.5553 0.035 Uiso 1 1 calc R . .
H7B H 0.2144 1.0887 0.5304 0.035 Uiso 1 1 calc R . .
C8 C 0.1861(2) 1.1918(8) 0.5159(4) 0.028(3) Uani 1 1 d . . .
H8A H 0.1901 1.2028 0.4847 0.033 Uiso 1 1 calc R . .
H8B H 0.1837 1.2492 0.5305 0.033 Uiso 1 1 calc R . .
C9 C 0.1114(2) 0.9523(7) 0.7635(4) 0.025(3) Uani 1 1 d . . .
C10 C 0.1125(3) 0.9583(8) 0.8114(4) 0.029(3) Uani 1 1 d . . .
H10 H 0.1104 1.0141 0.8248 0.035 Uiso 1 1 calc R . .
C11 C 0.1168(3) 0.8847(9) 0.8402(5) 0.040(3) Uani 1 1 d . . .
H11 H 0.1179 0.8890 0.8731 0.048 Uiso 1 1 calc R . .
C12 C 0.1193(3) 0.8051(9) 0.8192(4) 0.037(3) Uani 1 1 d . . .
H12 H 0.1224 0.7538 0.8383 0.044 Uiso 1 1 calc R . .
C13 C 0.1176(3) 0.7971(8) 0.7714(4) 0.031(3) Uani 1 1 d . . .
H13 H 0.1194 0.7412 0.7578 0.038 Uiso 1 1 calc R . .
C14 C 0.1131(2) 0.8719(8) 0.7436(4) 0.028(3) Uani 1 1 d . . .
H14 H 0.1112 0.8673 0.7105 0.034 Uiso 1 1 calc R . .
C15 C 0.1247(2) 1.1496(7) 0.7580(4) 0.020(2) Uani 1 1 d . . .
C16 C 0.1116(3) 1.2215(8) 0.7732(4) 0.031(3) Uani 1 1 d . . .
H16 H 0.0920 1.2230 0.7680 0.037 Uiso 1 1 calc R . .
C17 C 0.1277(3) 1.2917(8) 0.7965(4) 0.036(3) Uani 1 1 d . . .
H17 H 0.1190 1.3405 0.8075 0.043 Uiso 1 1 calc R . .
C18 C 0.1560(3) 1.2896(8) 0.8031(4) 0.032(3) Uani 1 1 d . . .
H18 H 0.1666 1.3384 0.8175 0.039 Uiso 1 1 calc R . .
C19 C 0.1693(3) 1.2183(8) 0.7895(4) 0.030(3) Uani 1 1 d . . .
H19 H 0.1889 1.2161 0.7958 0.036 Uiso 1 1 calc R . .
C20 C 0.1532(3) 1.1492(8) 0.7660(4) 0.030(3) Uani 1 1 d . . .
H20 H 0.1622 1.1007 0.7553 0.036 Uiso 1 1 calc R . .
C21 C 0.0346(2) 0.9527(7) 0.5876(4) 0.024(3) Uani 1 1 d . . .
C22 C 0.0076(3) 0.9702(9) 0.5634(5) 0.041(3) Uani 1 1 d . . .
H22 H -0.0006 1.0261 0.5658 0.049 Uiso 1 1 calc R . .
C23 C -0.0075(3) 0.9030(9) 0.5351(5) 0.047(4) Uani 1 1 d . . .
H23 H -0.0259 0.9140 0.5181 0.057 Uiso 1 1 calc R . .
C24 C 0.0041(3) 0.8226(10) 0.5319(5) 0.053(4) Uani 1 1 d . . .
H24 H -0.0064 0.7774 0.5134 0.064 Uiso 1 1 calc R . .
C25 C 0.0320(3) 0.8071(9) 0.5565(5) 0.048(4) Uani 1 1 d . . .
H25 H 0.0406 0.7518 0.5543 0.058 Uiso 1 1 calc R . .
C26 C 0.0463(3) 0.8734(8) 0.5832(5) 0.038(3) Uani 1 1 d . . .
H26 H 0.0650 0.8636 0.5992 0.046 Uiso 1 1 calc R . .
C27 C 0.0395(2) 1.1531(8) 0.6085(4) 0.025(3) Uani 1 1 d . . .
C28 C 0.0166(3) 1.1836(8) 0.6214(5) 0.046(4) Uani 1 1 d . . .
H28 H 0.0080 1.1483 0.6408 0.055 Uiso 1 1 calc R . .
C29 C 0.0055(3) 1.2665(9) 0.6063(5) 0.052(4) Uani 1 1 d . . .
H29 H -0.0109 1.2866 0.6141 0.062 Uiso 1 1 calc R . .
C30 C 0.0191(3) 1.3181(7) 0.5798(5) 0.034(3) Uani 1 1 d . . .
H30 H 0.0119 1.3744 0.5693 0.040 Uiso 1 1 calc R . .
C31 C 0.0433(3) 1.2883(8) 0.5684(4) 0.034(3) Uani 1 1 d . . .
H31 H 0.0531 1.3252 0.5516 0.041 Uiso 1 1 calc R . .
C32 C 0.0528(2) 1.2054(8) 0.5816(4) 0.030(3) Uani 1 1 d . . .
H32 H 0.0686 1.1835 0.5722 0.036 Uiso 1 1 calc R . .
C33 C 0.2154(2) 0.6075(7) 0.7007(4) 0.022(3) Uani 1 1 d . . .
C34 C 0.2373(2) 0.6094(8) 0.7404(5) 0.032(3) Uani 1 1 d . . .
H34 H 0.2342 0.6242 0.7704 0.039 Uiso 1 1 calc R . .
C35 C 0.2636(3) 0.5893(9) 0.7354(5) 0.042(4) Uani 1 1 d . . .
H35 H 0.2786 0.5909 0.7624 0.050 Uiso 1 1 calc R . .
C36 C 0.2688(3) 0.5674(8) 0.6929(5) 0.035(3) Uani 1 1 d . . .
H36 H 0.2870 0.5540 0.6905 0.041 Uiso 1 1 calc R . .
C37 C 0.2470(3) 0.5649(8) 0.6531(4) 0.029(3) Uani 1 1 d . . .
H37 H 0.2501 0.5492 0.6233 0.035 Uiso 1 1 calc R . .
C38 C 0.2205(3) 0.5855(8) 0.6577(4) 0.031(3) Uani 1 1 d . . .
H38 H 0.2056 0.5845 0.6305 0.037 Uiso 1 1 calc R . .
C39 C 0.1828(2) 0.7250(7) 0.7515(4) 0.020(2) Uani 1 1 d . . .
C40 C 0.1858(2) 0.7088(7) 0.7999(4) 0.024(3) Uani 1 1 d . . .
H40 H 0.1857 0.6505 0.8115 0.029 Uiso 1 1 calc R . .
C41 C 0.1891(2) 0.7799(8) 0.8302(4) 0.031(3) Uani 1 1 d . . .
H41 H 0.1919 0.7699 0.8631 0.037 Uiso 1 1 calc R . .
C42 C 0.1883(3) 0.8635(8) 0.8139(4) 0.035(3) Uani 1 1 d . . .
H42 H 0.1902 0.9109 0.8356 0.042 Uiso 1 1 calc R . .
C43 C 0.1848(2) 0.8819(8) 0.7655(4) 0.030(3) Uani 1 1 d . . .
H43 H 0.1844 0.9407 0.7544 0.036 Uiso 1 1 calc R . .
C44 C 0.1820(2) 0.8116(7) 0.7346(4) 0.023(3) Uani 1 1 d . . .
H44 H 0.1795 0.8221 0.7018 0.028 Uiso 1 1 calc R . .
C45 C 0.1168(3) 0.4482(7) 0.6384(4) 0.029(3) Uani 1 1 d . . .
C46 C 0.1156(3) 0.3697(8) 0.6625(4) 0.030(3) Uani 1 1 d . . .
H46 H 0.1138 0.3697 0.6943 0.036 Uiso 1 1 calc R . .
C47 C 0.1170(3) 0.2926(7) 0.6390(5) 0.034(3) Uani 1 1 d . . .
H47 H 0.1162 0.2386 0.6550 0.041 Uiso 1 1 calc R . .
C48 C 0.1195(3) 0.2906(8) 0.5938(5) 0.034(3) Uani 1 1 d . . .
H48 H 0.1206 0.2359 0.5785 0.041 Uiso 1 1 calc R . .
C49 C 0.1203(3) 0.3665(8) 0.5705(4) 0.036(3) Uani 1 1 d . . .
H49 H 0.1222 0.3652 0.5388 0.043 Uiso 1 1 calc R . .
C50 C 0.1185(3) 0.4466(8) 0.5921(5) 0.038(3) Uani 1 1 d . . .
H50 H 0.1184 0.4999 0.5751 0.045 Uiso 1 1 calc R . .
C51 C 0.0783(2) 0.5850(8) 0.6692(4) 0.026(3) Uani 1 1 d . . .
C52 C 0.0590(3) 0.5203(10) 0.6646(5) 0.047(4) Uani 1 1 d . . .
H52 H 0.0638 0.4614 0.6592 0.056 Uiso 1 1 calc R . .
C53 C 0.0322(3) 0.5403(11) 0.6679(6) 0.059(5) Uani 1 1 d . . .
H53 H 0.0191 0.4942 0.6664 0.071 Uiso 1 1 calc R . .
C54 C 0.0243(3) 0.6251(11) 0.6733(5) 0.052(4) Uani 1 1 d . . .
H54 H 0.0058 0.6381 0.6746 0.062 Uiso 1 1 calc R . .
C55 C 0.0431(3) 0.6898(9) 0.6768(5) 0.045(4) Uani 1 1 d . . .
H55 H 0.0377 0.7485 0.6814 0.054 Uiso 1 1 calc R . .
C56 C 0.0700(3) 0.6736(8) 0.6740(4) 0.035(3) Uani 1 1 d . . .
H56 H 0.0827 0.7206 0.6752 0.042 Uiso 1 1 calc R . .
C57 C 0.1840(2) 0.5576(7) 0.5057(4) 0.026(3) Uani 1 1 d . . .
C58 C 0.2040(4) 0.5239(11) 0.4855(8) 0.113(10) Uani 1 1 d . . .
H58 H 0.2081 0.5515 0.4587 0.136 Uiso 1 1 calc R . .
C59 C 0.2183(4) 0.4494(11) 0.5045(9) 0.112(10) Uani 1 1 d . . .
H59 H 0.2324 0.4270 0.4908 0.134 Uiso 1 1 calc R . .
C60 C 0.2127(3) 0.4079(8) 0.5417(6) 0.046(4) Uani 1 1 d . . .
H60 H 0.2229 0.3571 0.5544 0.056 Uiso 1 1 calc R . .
C61 C 0.1929(4) 0.4387(9) 0.5604(5) 0.062(5) Uani 1 1 d . . .
H61 H 0.1882 0.4083 0.5859 0.074 Uiso 1 1 calc R . .
C62 C 0.1789(3) 0.5154(9) 0.5432(5) 0.052(4) Uani 1 1 d . . .
H62 H 0.1654 0.5384 0.5583 0.062 Uiso 1 1 calc R . .
C63 C 0.1944(2) 0.7461(8) 0.4763(4) 0.027(3) Uani 1 1 d . . .
C64 C 0.2060(3) 0.7312(9) 0.4374(5) 0.037(3) Uani 1 1 d . . .
H64 H 0.1994 0.6853 0.4156 0.044 Uiso 1 1 calc R . .
C65 C 0.2274(3) 0.7848(10) 0.4315(6) 0.054(5) Uani 1 1 d . . .
H65 H 0.2356 0.7754 0.4056 0.065 Uiso 1 1 calc R . .
C66 C 0.2367(3) 0.8506(10) 0.4624(6) 0.054(5) Uani 1 1 d . . .
H66 H 0.2512 0.8872 0.4573 0.065 Uiso 1 1 calc R . .
C67 C 0.2257(3) 0.8661(8) 0.5008(5) 0.040(4) Uani 1 1 d . . .
H67 H 0.2328 0.9116 0.5226 0.049 Uiso 1 1 calc R . .
C68 C 0.2035(3) 0.8120(8) 0.5068(5) 0.038(3) Uani 1 1 d . . .
H68 H 0.1950 0.8223 0.5324 0.045 Uiso 1 1 calc R . .
C69 C 0.0692(2) 0.5792(7) 0.4715(4) 0.024(3) Uani 1 1 d . . .
C70 C 0.0631(2) 0.5612(7) 0.5141(4) 0.027(3) Uani 1 1 d . . .
H70 H 0.0733 0.5880 0.5423 0.033 Uiso 1 1 calc R . .
C71 C 0.0415(3) 0.5024(8) 0.5151(5) 0.038(3) Uani 1 1 d . . .
H71 H 0.0369 0.4898 0.5443 0.045 Uiso 1 1 calc R . .
C72 C 0.0270(3) 0.4632(8) 0.4751(5) 0.038(3) Uani 1 1 d . . .
H72 H 0.0127 0.4225 0.4766 0.046 Uiso 1 1 calc R . .
C73 C 0.0330(3) 0.4822(8) 0.4331(5) 0.042(4) Uani 1 1 d . . .
H73 H 0.0224 0.4555 0.4052 0.050 Uiso 1 1 calc R . .
C74 C 0.0543(3) 0.5399(8) 0.4299(5) 0.037(3) Uani 1 1 d . . .
H74 H 0.0585 0.5522 0.4004 0.045 Uiso 1 1 calc R . .
C75 C 0.0796(2) 0.7603(8) 0.4341(4) 0.030(3) Uani 1 1 d . . .
C76 C 0.0707(3) 0.7588(10) 0.3850(5) 0.048(4) Uani 1 1 d . . .
H76 H 0.0742 0.7091 0.3674 0.058 Uiso 1 1 calc R . .
C77 C 0.0564(3) 0.8326(15) 0.3619(7) 0.077(7) Uani 1 1 d . . .
H77 H 0.0502 0.8334 0.3285 0.092 Uiso 1 1 calc R . .
C78 C 0.0517(3) 0.9019(12) 0.3879(8) 0.071(6) Uani 1 1 d . . .
H78 H 0.0420 0.9513 0.3722 0.086 Uiso 1 1 calc R . .
C79 C 0.0605(3) 0.9033(9) 0.4361(7) 0.060(5) Uani 1 1 d . . .
H79 H 0.0571 0.9535 0.4533 0.072 Uiso 1 1 calc R . .
C80 C 0.0745(3) 0.8303(8) 0.4602(5) 0.042(4) Uani 1 1 d . . .
H80 H 0.0804 0.8298 0.4936 0.050 Uiso 1 1 calc R . .
C81 C 0.2273(2) 1.0169(8) 0.6295(4) 0.027(3) Uani 1 1 d . . .
C82 C 0.2197(2) 0.9398(8) 0.6488(5) 0.032(3) Uani 1 1 d . . .
H82 H 0.2010 0.9299 0.6501 0.039 Uiso 1 1 calc R . .
C83 C 0.2402(3) 0.8767(8) 0.6664(5) 0.043(4) Uani 1 1 d . . .
H83 H 0.2353 0.8240 0.6799 0.051 Uiso 1 1 calc R . .
C84 C 0.2670(3) 0.8900(9) 0.6643(5) 0.044(4) Uani 1 1 d . . .
H84 H 0.2805 0.8463 0.6755 0.053 Uiso 1 1 calc R . .
C85 C 0.2743(2) 0.9685(8) 0.6456(4) 0.033(3) Uani 1 1 d . . .
H85 H 0.2931 0.9788 0.6454 0.040 Uiso 1 1 calc R . .
C86 C 0.2547(2) 1.0315(8) 0.6275(4) 0.026(3) Uani 1 1 d . . .
H86 H 0.2598 1.0839 0.6139 0.031 Uiso 1 1 calc R . .
C87 C 0.2079(2) 1.2065(7) 0.6454(4) 0.020(2) Uani 1 1 d . . .
C88 C 0.2328(2) 1.2502(7) 0.6503(4) 0.027(3) Uani 1 1 d . . .
H88 H 0.2462 1.2305 0.6342 0.032 Uiso 1 1 calc R . .
C89 C 0.2378(3) 1.3253(8) 0.6801(4) 0.033(3) Uani 1 1 d . . .
H89 H 0.2547 1.3565 0.6835 0.040 Uiso 1 1 calc R . .
C90 C 0.2191(3) 1.3534(7) 0.7037(4) 0.027(3) Uani 1 1 d . . .
H90 H 0.2229 1.4037 0.7235 0.033 Uiso 1 1 calc R . .
C91 C 0.1945(3) 1.3091(8) 0.6991(4) 0.037(3) Uani 1 1 d . . .
H91 H 0.1814 1.3286 0.7159 0.044 Uiso 1 1 calc R . .
C92 C 0.1887(2) 1.2349(7) 0.6695(4) 0.027(3) Uani 1 1 d . . .
H92 H 0.1717 1.2046 0.6662 0.032 Uiso 1 1 calc R . .
C93 C 0.1551(2) 1.0346(7) 0.4619(4) 0.017(2) Uani 1 1 d . . .
C94 C 0.1349(2) 0.9692(7) 0.4528(4) 0.025(3) Uani 1 1 d . . .
H94 H 0.1205 0.9691 0.4693 0.029 Uiso 1 1 calc R . .
C95 C 0.1358(3) 0.9037(8) 0.4195(4) 0.032(3) Uani 1 1 d . . .
H95 H 0.1218 0.8598 0.4130 0.038 Uiso 1 1 calc R . .
C96 C 0.1568(3) 0.9027(7) 0.3961(4) 0.028(3) Uani 1 1 d . . .
H96 H 0.1575 0.8581 0.3735 0.034 Uiso 1 1 calc R . .
C97 C 0.1770(3) 0.9667(8) 0.4054(4) 0.028(3) Uani 1 1 d . . .
H97 H 0.1912 0.9662 0.3887 0.034 Uiso 1 1 calc R . .
C98 C 0.1769(2) 1.0327(8) 0.4390(4) 0.026(3) Uani 1 1 d . . .
H98 H 0.1913 1.0751 0.4461 0.031 Uiso 1 1 calc R . .
C99 C 0.1238(3) 1.2001(7) 0.4755(4) 0.026(3) Uani 1 1 d . . .
C100 C 0.0967(3) 1.1869(9) 0.4789(5) 0.042(4) Uani 1 1 d . . .
H100 H 0.0921 1.1402 0.4974 0.051 Uiso 1 1 calc R . .
C101 C 0.0761(3) 1.2450(11) 0.4542(5) 0.060(5) Uani 1 1 d . . .
H101 H 0.0574 1.2371 0.4559 0.072 Uiso 1 1 calc R . .
C102 C 0.0831(4) 1.3134(11) 0.4276(5) 0.061(5) Uani 1 1 d . . .
H102 H 0.0690 1.3511 0.4104 0.073 Uiso 1 1 calc R . .
C103 C 0.1100(4) 1.3266(9) 0.4261(5) 0.052(4) Uani 1 1 d . . .
H103 H 0.1147 1.3751 0.4090 0.062 Uiso 1 1 calc R . .
C104 C 0.1306(3) 1.2699(7) 0.4493(4) 0.031(3) Uani 1 1 d . . .
H104 H 0.1492 1.2786 0.4474 0.037 Uiso 1 1 calc R . .
Cl1 Cl 0.0000 0.8826(3) 0.2500 0.0431(12) Uani 1 2 d S . .
Cl2 Cl 0.15089(7) 0.4693(2) 0.35114(11) 0.0380(8) Uani 1 1 d . . .
Cl3 Cl 0.23196(9) 0.2271(3) 0.44792(15) 0.0659(12) Uani 1 1 d . . .
H3 H 0.2500 0.2500 0.5000 0.099 Uiso 1 2 d S . .
O1W O 0.1873(4) 0.3559(11) 0.4256(6) 0.145(7) Uani 1 1 d . . .
H1W1 H 0.1742 0.3771 0.4011 0.218 Uiso 1 1 d . . .
H1W2 H 0.2007 0.3168 0.4229 0.218 Uiso 1 1 d . . .
O200 O 0.0879(2) 0.4975(7) 0.3249(4) 0.064(3) Uiso 1 1 d D . .
H200 H 0.1056 0.4825 0.3254 0.096 Uiso 1 1 d . . .
C201 C 0.0741(3) 0.4244(11) 0.3001(6) 0.067(5) Uiso 1 1 d D . .
H20A H 0.0832 0.3696 0.3143 0.080 Uiso 1 1 calc R . .
H20B H 0.0757 0.4268 0.2669 0.080 Uiso 1 1 calc R . .
C202 C 0.0448(3) 0.4218(11) 0.3012(6) 0.066(5) Uiso 1 1 d D . .
H20C H 0.0359 0.4774 0.2890 0.099 Uiso 1 1 calc R . .
H20D H 0.0431 0.4132 0.3337 0.099 Uiso 1 1 calc R . .
H20E H 0.0357 0.3731 0.2815 0.099 Uiso 1 1 calc R . .
O300 O 0.0078(5) 0.6625(17) 0.2396(10) 0.105(10) Uiso 0.50 1 d PD . 1
H300 H 0.0000 0.7247 0.2500 0.158 Uiso 1 2 d S A 1
C301 C 0.0363(6) 0.677(2) 0.2426(12) 0.086(12) Uiso 0.50 1 d PD B 1
H30A H 0.0385 0.6644 0.2105 0.103 Uiso 0.50 1 calc PR B 1
H30B H 0.0382 0.7420 0.2461 0.103 Uiso 0.50 1 calc PR B 1
C302 C 0.0608(6) 0.645(2) 0.2724(12) 0.079(11) Uiso 0.50 1 d PD B 1
H30C H 0.0579 0.5834 0.2807 0.118 Uiso 0.50 1 calc PR B 1
H30D H 0.0656 0.6802 0.3011 0.118 Uiso 0.50 1 calc PR B 1
H30E H 0.0759 0.6472 0.2559 0.118 Uiso 0.50 1 calc PR B 1
O40A O -0.0183(8) 1.223(2) 0.2257(11) 0.154(14) Uiso 0.50 1 d PD . 1
H40A H 0.0000 1.1897 0.2500 0.232 Uiso 1 2 d S C 1
C41A C -0.0390(8) 1.177(3) 0.1921(15) 0.108(16) Uiso 0.50 1 d PD D 1
H41A H -0.0475 1.1319 0.2086 0.129 Uiso 0.50 1 calc PR D 1
H41B H -0.0538 1.2195 0.1776 0.129 Uiso 0.50 1 calc PR D 1
C42A C -0.0284(12) 1.136(3) 0.1551(14) 0.13(2) Uiso 0.50 1 d PD D 1
H42A H -0.0113 1.1655 0.1524 0.188 Uiso 0.50 1 calc PR D 1
H42B H -0.0421 1.1406 0.1251 0.188 Uiso 0.50 1 calc PR D 1
H42C H -0.0246 1.0739 0.1629 0.188 Uiso 0.50 1 calc PR D 1
O40B O 0.0133(6) 1.077(2) 0.2739(10) 0.124(11) Uiso 0.50 1 d PD . 2
H40B H 0.0000 1.0270 0.2500 0.185 Uiso 1 2 d S E 2
C41B C 0.0394(6) 1.100(3) 0.3024(12) 0.076(11) Uiso 0.50 1 d PD F 2
H41C H 0.0491 1.0449 0.3145 0.091 Uiso 0.50 1 calc PR F 2
H41D H 0.0502 1.1282 0.2819 0.091 Uiso 0.50 1 calc PR F 2
C42B C 0.0401(11) 1.157(4) 0.3420(16) 0.13(2) Uiso 0.50 1 d PD F 2
H42D H 0.0211 1.1732 0.3431 0.193 Uiso 0.50 1 calc PR F 2
H42E H 0.0505 1.2107 0.3385 0.193 Uiso 0.50 1 calc PR F 2
H42F H 0.0490 1.1271 0.3712 0.193 Uiso 0.50 1 calc PR F 2
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'
Hg Hg -2.3894 9.2266 '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'
Cl Cl 0.1484 0.1585 '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
S3 Hg1 S1 168.75(9) . . ?
S3 Hg1 S4 73.82(9) . . ?
S1 Hg1 S4 112.90(9) . . ?
S3 Hg1 S2 111.37(9) . . ?
S1 Hg1 S2 71.22(8) . . ?
S4 Hg1 S2 133.10(8) . . ?
S3 Hg1 Pt2 122.58(7) . . ?
S1 Hg1 Pt2 50.57(6) . . ?
S4 Hg1 Pt2 163.45(6) . . ?
S2 Hg1 Pt2 47.12(5) . . ?
S3 Hg1 Pt3 49.38(7) . . ?
S1 Hg1 Pt3 128.07(7) . . ?
S4 Hg1 Pt3 47.06(6) . . ?
S2 Hg1 Pt3 160.61(6) . . ?
Pt2 Hg1 Pt3 140.23(2) . . ?
S4 Pt1 S3 84.77(10) . . ?
S4 Pt1 As4 94.20(8) . . ?
S3 Pt1 As4 168.64(7) . . ?
S4 Pt1 As3 169.63(8) . . ?
S3 Pt1 As3 97.83(8) . . ?
As4 Pt1 As3 85.20(4) . . ?
S4 Pt1 Pt3 49.08(7) . . ?
S3 Pt1 Pt3 49.64(7) . . ?
As4 Pt1 Pt3 122.19(3) . . ?
As3 Pt1 Pt3 138.93(3) . . ?
S2 Pt2 As7 94.42(7) . . ?
S2 Pt2 S1 83.43(9) . . ?
As7 Pt2 S1 175.13(7) . . ?
S2 Pt2 As8 178.19(7) . . ?
As7 Pt2 As8 84.96(4) . . ?
S1 Pt2 As8 97.32(7) . . ?
S2 Pt2 Hg1 64.63(7) . . ?
As7 Pt2 Hg1 121.78(3) . . ?
S1 Pt2 Hg1 53.35(6) . . ?
As8 Pt2 Hg1 117.13(3) . . ?
S4 Pt3 As6 95.28(8) . . ?
S4 Pt3 As5 173.83(8) . . ?
As6 Pt3 As5 85.55(4) . . ?
S4 Pt3 S3 83.73(10) . . ?
As6 Pt3 S3 177.21(7) . . ?
As5 Pt3 S3 95.71(7) . . ?
S4 Pt3 Hg1 59.94(7) . . ?
As6 Pt3 Hg1 125.61(3) . . ?
As5 Pt3 Hg1 124.24(3) . . ?
S3 Pt3 Hg1 51.67(6) . . ?
S4 Pt3 Pt1 48.59(7) . . ?
As6 Pt3 Pt1 131.98(3) . . ?
As5 Pt3 Pt1 127.06(3) . . ?
S3 Pt3 Pt1 48.81(7) . . ?
Hg1 Pt3 Pt1 68.602(17) . . ?
S2 Pt4 S1 84.50(9) . . ?
S2 Pt4 As1 95.02(7) . . ?
S1 Pt4 As1 178.63(8) . . ?
S2 Pt4 As2 175.84(7) . . ?
S1 Pt4 As2 95.69(7) . . ?
As1 Pt4 As2 84.88(4) . . ?
C15 As1 C9 106.1(5) . . ?
C15 As1 C1 105.4(5) . . ?
C9 As1 C1 101.7(5) . . ?
C15 As1 Pt4 119.3(3) . . ?
C9 As1 Pt4 113.9(3) . . ?
C1 As1 Pt4 108.6(4) . . ?
C21 As2 C27 106.9(5) . . ?
C21 As2 C2 104.7(5) . . ?
C27 As2 C2 103.6(5) . . ?
C21 As2 Pt4 117.4(3) . . ?
C27 As2 Pt4 116.6(3) . . ?
C2 As2 Pt4 106.0(4) . . ?
C33 As3 C39 103.3(5) . . ?
C33 As3 C3 106.2(4) . . ?
C39 As3 C3 105.6(5) . . ?
C33 As3 Pt1 123.2(3) . . ?
C39 As3 Pt1 109.7(3) . . ?
C3 As3 Pt1 107.5(3) . . ?
C51 As4 C45 106.2(5) . . ?
C51 As4 C4 107.5(5) . . ?
C45 As4 C4 102.5(5) . . ?
C51 As4 Pt1 120.0(4) . . ?
C45 As4 Pt1 111.7(4) . . ?
C4 As4 Pt1 107.5(3) . . ?
C5 As5 C63 104.4(5) . . ?
C5 As5 C57 106.3(5) . . ?
C63 As5 C57 104.2(5) . . ?
C5 As5 Pt3 107.0(4) . . ?
C63 As5 Pt3 123.4(4) . . ?
C57 As5 Pt3 110.3(3) . . ?
C6 As6 C75 106.4(5) . . ?
C6 As6 C69 103.3(5) . . ?
C75 As6 C69 103.5(5) . . ?
C6 As6 Pt3 107.4(4) . . ?
C75 As6 Pt3 111.7(4) . . ?
C69 As6 Pt3 123.3(3) . . ?
C87 As7 C7 104.1(5) . . ?
C87 As7 C81 106.7(5) . . ?
C7 As7 C81 101.8(5) . . ?
C87 As7 Pt2 115.6(3) . . ?
C7 As7 Pt2 108.0(4) . . ?
C81 As7 Pt2 118.8(4) . . ?
C93 As8 C99 103.4(4) . . ?
C93 As8 C8 105.1(5) . . ?
C99 As8 C8 103.6(5) . . ?
C93 As8 Pt2 114.1(3) . . ?
C99 As8 Pt2 122.0(3) . . ?
C8 As8 Pt2 107.0(3) . . ?
Pt4 S1 Pt2 88.65(9) . . ?
Pt4 S1 Hg1 90.29(9) . . ?
Pt2 S1 Hg1 76.08(8) . . ?
Pt4 S2 Pt2 89.49(9) . . ?
Pt4 S2 Hg1 80.58(8) . . ?
Pt2 S2 Hg1 68.25(7) . . ?
Pt1 S3 Pt3 81.56(9) . . ?
Pt1 S3 Hg1 92.50(10) . . ?
Pt3 S3 Hg1 78.95(9) . . ?
Pt1 S4 Pt3 82.32(9) . . ?
Pt1 S4 Hg1 84.95(9) . . ?
Pt3 S4 Hg1 73.00(8) . . ?
C2 C1 As1 108.2(8) . . ?
C2 C1 H1A 110.1 . . ?
As1 C1 H1A 110.1 . . ?
C2 C1 H1B 110.1 . . ?
As1 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
C1 C2 As2 107.7(7) . . ?
C1 C2 H2A 110.2 . . ?
As2 C2 H2A 110.2 . . ?
C1 C2 H2B 110.2 . . ?
As2 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
C4 C3 As3 109.3(7) . . ?
C4 C3 H3A 109.8 . . ?
As3 C3 H3A 109.8 . . ?
C4 C3 H3B 109.8 . . ?
As3 C3 H3B 109.8 . . ?
H3A C3 H3B 108.3 . . ?
C3 C4 As4 108.0(7) . . ?
C3 C4 H4A 110.1 . . ?
As4 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
As4 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
C6 C5 As5 110.7(8) . . ?
C6 C5 H5A 109.5 . . ?
As5 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
As5 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C5 C6 As6 110.3(9) . . ?
C5 C6 H6A 109.6 . . ?
As6 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
As6 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C8 C7 As7 109.3(8) . . ?
C8 C7 H7A 109.8 . . ?
As7 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
As7 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 As8 108.4(8) . . ?
C7 C8 H8A 110.0 . . ?
As8 C8 H8A 110.0 . . ?
C7 C8 H8B 110.0 . . ?
As8 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
C14 C9 C10 119.6(11) . . ?
C14 C9 As1 119.7(9) . . ?
C10 C9 As1 120.3(9) . . ?
C11 C10 C9 121.4(12) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C12 C11 C10 117.4(12) . . ?
C12 C11 H11 121.3 . . ?
C10 C11 H11 121.3 . . ?
C11 C12 C13 122.4(13) . . ?
C11 C12 H12 118.8 . . ?
C13 C12 H12 118.8 . . ?
C12 C13 C14 118.7(12) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
C9 C14 C13 120.4(11) . . ?
C9 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C20 C15 C16 119.0(10) . . ?
C20 C15 As1 120.6(8) . . ?
C16 C15 As1 120.3(9) . . ?
C15 C16 C17 119.3(12) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C18 C17 C16 119.9(12) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 121.5(11) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C18 C19 C20 118.4(12) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
C15 C20 C19 121.7(12) . . ?
C15 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C26 C21 C22 120.5(11) . . ?
C26 C21 As2 119.0(9) . . ?
C22 C21 As2 120.5(9) . . ?
C21 C22 C23 118.3(13) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 H22 120.8 . . ?
C24 C23 C22 121.0(14) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C25 119.4(13) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 118.6(13) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C21 C26 C25 122.2(12) . . ?
C21 C26 H26 118.9 . . ?
C25 C26 H26 118.9 . . ?
C28 C27 C32 120.1(12) . . ?
C28 C27 As2 122.2(9) . . ?
C32 C27 As2 117.7(9) . . ?
C27 C28 C29 120.7(12) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 118.6(12) . . ?
C30 C29 H29 120.7 . . ?
C28 C29 H29 120.7 . . ?
C29 C30 C31 120.5(11) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C32 C31 C30 119.4(12) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C31 C32 C27 120.5(12) . . ?
C31 C32 H32 119.8 . . ?
C27 C32 H32 119.8 . . ?
C38 C33 C34 119.2(11) . . ?
C38 C33 As3 119.7(9) . . ?
C34 C33 As3 121.1(9) . . ?
C33 C34 C35 118.9(12) . . ?
C33 C34 H34 120.6 . . ?
C35 C34 H34 120.6 . . ?
C36 C35 C34 122.1(13) . . ?
C36 C35 H35 118.9 . . ?
C34 C35 H35 118.9 . . ?
C35 C36 C37 119.3(12) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C38 C37 C36 119.1(11) . . ?
C38 C37 H37 120.4 . . ?
C36 C37 H37 120.4 . . ?
C33 C38 C37 121.4(12) . . ?
C33 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C44 C39 C40 120.3(10) . . ?
C44 C39 As3 117.2(8) . . ?
C40 C39 As3 122.5(8) . . ?
C41 C40 C39 118.3(11) . . ?
C41 C40 H40 120.9 . . ?
C39 C40 H40 120.9 . . ?
C42 C41 C40 121.4(11) . . ?
C42 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
C41 C42 C43 121.6(11) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 H42 119.2 . . ?
C44 C43 C42 118.0(11) . . ?
C44 C43 H43 121.0 . . ?
C42 C43 H43 121.0 . . ?
C43 C44 C39 120.5(11) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C50 C45 C46 120.0(11) . . ?
C50 C45 As4 118.6(9) . . ?
C46 C45 As4 121.4(9) . . ?
C47 C46 C45 118.0(11) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
C48 C47 C46 122.3(11) . . ?
C48 C47 H47 118.9 . . ?
C46 C47 H47 118.9 . . ?
C49 C48 C47 119.5(12) . . ?
C49 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C48 C49 C50 120.8(12) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C45 C50 C49 119.3(11) . . ?
C45 C50 H50 120.3 . . ?
C49 C50 H50 120.3 . . ?
C52 C51 C56 118.8(12) . . ?
C52 C51 As4 122.8(10) . . ?
C56 C51 As4 118.4(9) . . ?
C51 C52 C53 120.0(14) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C54 C53 C52 121.4(14) . . ?
C54 C53 H53 119.3 . . ?
C52 C53 H53 119.3 . . ?
C55 C54 C53 118.9(14) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 122.1(14) . . ?
C54 C55 H55 119.0 . . ?
C56 C55 H55 119.0 . . ?
C55 C56 C51 118.7(12) . . ?
C55 C56 H56 120.7 . . ?
C51 C56 H56 120.7 . . ?
C62 C57 C58 117.7(12) . . ?
C62 C57 As5 119.6(9) . . ?
C58 C57 As5 122.5(10) . . ?
C57 C58 C59 119.5(14) . . ?
C57 C58 H58 120.3 . . ?
C59 C58 H58 120.3 . . ?
C60 C59 C58 121.9(15) . . ?
C60 C59 H59 119.1 . . ?
C58 C59 H59 119.1 . . ?
C61 C60 C59 118.9(13) . . ?
C61 C60 H60 120.6 . . ?
C59 C60 H60 120.6 . . ?
C60 C61 C62 120.5(15) . . ?
C60 C61 H61 119.8 . . ?
C62 C61 H61 119.8 . . ?
C57 C62 C61 121.5(13) . . ?
C57 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C68 C63 C64 121.0(12) . . ?
C68 C63 As5 121.1(9) . . ?
C64 C63 As5 117.9(10) . . ?
C65 C64 C63 118.5(13) . . ?
C65 C64 H64 120.8 . . ?
C63 C64 H64 120.8 . . ?
C66 C65 C64 120.6(13) . . ?
C66 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
C65 C66 C67 122.0(14) . . ?
C65 C66 H66 119.0 . . ?
C67 C66 H66 119.0 . . ?
C66 C67 C68 117.9(14) . . ?
C66 C67 H67 121.0 . . ?
C68 C67 H67 121.0 . . ?
C63 C68 C67 120.0(12) . . ?
C63 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C70 C69 C74 120.9(11) . . ?
C70 C69 As6 121.1(8) . . ?
C74 C69 As6 118.0(9) . . ?
C69 C70 C71 118.5(11) . . ?
C69 C70 H70 120.8 . . ?
C71 C70 H70 120.8 . . ?
C72 C71 C70 121.3(13) . . ?
C72 C71 H71 119.3 . . ?
C70 C71 H71 119.3 . . ?
C71 C72 C73 119.7(13) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 H72 120.1 . . ?
C72 C73 C74 121.6(13) . . ?
C72 C73 H73 119.2 . . ?
C74 C73 H73 119.2 . . ?
C73 C74 C69 118.0(13) . . ?
C73 C74 H74 121.0 . . ?
C69 C74 H74 121.0 . . ?
C80 C75 C76 121.9(13) . . ?
C80 C75 As6 118.3(10) . . ?
C76 C75 As6 119.8(10) . . ?
C75 C76 C77 118.6(16) . . ?
C75 C76 H76 120.7 . . ?
C77 C76 H76 120.7 . . ?
C78 C77 C76 119.2(17) . . ?
C78 C77 H77 120.4 . . ?
C76 C77 H77 120.4 . . ?
C77 C78 C79 122.1(17) . . ?
C77 C78 H78 119.0 . . ?
C79 C78 H78 119.0 . . ?
C78 C79 C80 120.0(16) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
C75 C80 C79 118.2(15) . . ?
C75 C80 H80 120.9 . . ?
C79 C80 H80 120.9 . . ?
C82 C81 C86 120.7(11) . . ?
C82 C81 As7 119.9(9) . . ?
C86 C81 As7 119.4(9) . . ?
C81 C82 C83 118.8(11) . . ?
C81 C82 H82 120.6 . . ?
C83 C82 H82 120.6 . . ?
C84 C83 C82 121.0(12) . . ?
C84 C83 H83 119.5 . . ?
C82 C83 H83 119.5 . . ?
C83 C84 C85 119.4(12) . . ?
C83 C84 H84 120.3 . . ?
C85 C84 H84 120.3 . . ?
C86 C85 C84 121.2(12) . . ?
C86 C85 H85 119.4 . . ?
C84 C85 H85 119.4 . . ?
C85 C86 C81 118.8(12) . . ?
C85 C86 H86 120.6 . . ?
C81 C86 H86 120.6 . . ?
C92 C87 C88 120.4(10) . . ?
C92 C87 As7 119.2(9) . . ?
C88 C87 As7 120.5(9) . . ?
C87 C88 C89 118.3(11) . . ?
C87 C88 H88 120.8 . . ?
C89 C88 H88 120.8 . . ?
C90 C89 C88 121.4(11) . . ?
C90 C89 H89 119.3 . . ?
C88 C89 H89 119.3 . . ?
C89 C90 C91 119.9(11) . . ?
C89 C90 H90 120.1 . . ?
C91 C90 H90 120.1 . . ?
C90 C91 C92 120.3(11) . . ?
C90 C91 H91 119.9 . . ?
C92 C91 H91 119.9 . . ?
C87 C92 C91 119.7(11) . . ?
C87 C92 H92 120.1 . . ?
C91 C92 H92 120.1 . . ?
C94 C93 C98 119.9(10) . . ?
C94 C93 As8 117.7(8) . . ?
C98 C93 As8 122.3(8) . . ?
C93 C94 C95 120.2(11) . . ?
C93 C94 H94 119.9 . . ?
C95 C94 H94 119.9 . . ?
C96 C95 C94 120.1(12) . . ?
C96 C95 H95 120.0 . . ?
C94 C95 H95 120.0 . . ?
C97 C96 C95 119.7(11) . . ?
C97 C96 H96 120.2 . . ?
C95 C96 H96 120.2 . . ?
C96 C97 C98 121.7(11) . . ?
C96 C97 H97 119.2 . . ?
C98 C97 H97 119.2 . . ?
C93 C98 C97 118.4(11) . . ?
C93 C98 H98 120.8 . . ?
C97 C98 H98 120.8 . . ?
C100 C99 C104 120.9(11) . . ?
C100 C99 As8 119.5(9) . . ?
C104 C99 As8 119.5(10) . . ?
C99 C100 C101 118.1(13) . . ?
C99 C100 H100 121.0 . . ?
C101 C100 H100 121.0 . . ?
C102 C101 C100 120.6(15) . . ?
C102 C101 H101 119.7 . . ?
C100 C101 H101 119.7 . . ?
C103 C102 C101 120.0(14) . . ?
C103 C102 H102 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C103 C104 120.8(14) . . ?
C102 C103 H103 119.6 . . ?
C104 C103 H103 119.6 . . ?
C103 C104 C99 119.5(14) . . ?
C103 C104 H104 120.2 . . ?
C99 C104 H104 120.2 . . ?
H1W1 O1W H1W2 124.9(19) . . ?
C201 O200 H200 99.6(11) . . ?
O200 C201 C202 112.3(13) . . ?
O200 C201 H20A 109.1 . . ?
C202 C201 H20A 109.1 . . ?
O200 C201 H20B 109.1 . . ?
C202 C201 H20B 109.1 . . ?
H20A C201 H20B 107.9 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
H20C C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
O300 O300 C301 143(4) 2 . ?
O300 O300 H300 60.0(13) 2 . ?
C301 O300 H300 105(3) . . ?
C302 C301 O300 134(3) . . ?
C302 C301 H30A 103.8 . . ?
O300 C301 H30A 103.8 . . ?
C302 C301 H30B 103.8 . . ?
O300 C301 H30B 103.8 . . ?
H30A C301 H30B 105.4 . . ?
C41A O40A O40A 150(3) . 2 ?
C41A O40A H40A 124(4) . . ?
O40A O40A H40A 26.6(18) 2 . ?
C42A C41A O40A 113(3) . . ?
C42A C41A H41A 109.0 . . ?
O40A C41A H41A 109.0 . . ?
C42A C41A H41B 109.0 . . ?
O40A C41A H41B 109.0 . . ?
H41A C41A H41B 107.8 . . ?
O40B O40B C41B 158(3) 2 . ?
O40B O40B H40B 42.1(15) 2 . ?
C41B O40B H40B 148(3) . . ?
C42B C41B O40B 118(3) . . ?
C42B C41B H41C 107.8 . . ?
O40B C41B H41C 107.8 . . ?
C42B C41B H41D 107.8 . . ?
O40B C41B H41D 107.8 . . ?
H41C C41B H41D 107.2 . . ?
C41B C42B H42D 109.5 . . ?
C41B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C41B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 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
Hg1 S3 2.458(3) . ?
Hg1 S1 2.466(3) . ?
Hg1 S4 2.783(3) . ?
Hg1 S2 2.902(3) . ?
Hg1 Pt2 2.9828(7) . ?
Hg1 Pt3 3.0753(7) . ?
Pt1 S4 2.337(3) . ?
Pt1 S3 2.349(3) . ?
Pt1 As4 2.3530(12) . ?
Pt1 As3 2.3693(13) . ?
Pt1 Pt3 3.0873(8) . ?
Pt2 S2 2.353(3) . ?
Pt2 As7 2.3646(12) . ?
Pt2 S1 2.374(3) . ?
Pt2 As8 2.3815(12) . ?
Pt3 S4 2.354(3) . ?
Pt3 As6 2.3638(13) . ?
Pt3 As5 2.3687(12) . ?
Pt3 S3 2.378(3) . ?
Pt4 S2 2.332(3) . ?
Pt4 S1 2.346(3) . ?
Pt4 As1 2.3688(12) . ?
Pt4 As2 2.3710(13) . ?
As1 C15 1.928(11) . ?
As1 C9 1.931(12) . ?
As1 C1 1.943(11) . ?
As2 C21 1.925(11) . ?
As2 C27 1.942(12) . ?
As2 C2 1.958(11) . ?
As3 C33 1.925(11) . ?
As3 C39 1.928(10) . ?
As3 C3 1.963(10) . ?
As4 C51 1.916(12) . ?
As4 C45 1.958(11) . ?
As4 C4 1.964(11) . ?
As5 C5 1.946(12) . ?
As5 C63 1.943(12) . ?
As5 C57 1.946(11) . ?
As6 C6 1.934(12) . ?
As6 C75 1.939(12) . ?
As6 C69 1.943(12) . ?
As7 C87 1.931(11) . ?
As7 C7 1.939(11) . ?
As7 C81 1.947(12) . ?
As8 C93 1.928(10) . ?
As8 C99 1.940(11) . ?
As8 C8 1.943(12) . ?
C1 C2 1.537(16) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.505(15) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.490(17) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.527(16) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C14 1.364(16) . ?
C9 C10 1.388(15) . ?
C10 C11 1.384(17) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(18) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(16) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(15) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.384(16) . ?
C15 C16 1.396(15) . ?
C16 C17 1.412(16) . ?
C16 H16 0.9500 . ?
C17 C18 1.374(18) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(17) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(15) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.357(16) . ?
C21 C22 1.391(16) . ?
C22 C23 1.413(17) . ?
C22 H22 0.9500 . ?
C23 C24 1.363(19) . ?
C23 H23 0.9500 . ?
C24 C25 1.428(19) . ?
C24 H24 0.9500 . ?
C25 C26 1.366(16) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.360(15) . ?
C27 C32 1.387(16) . ?
C28 C29 1.404(17) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(17) . ?
C29 H29 0.9500 . ?
C30 C31 1.396(16) . ?
C30 H30 0.9500 . ?
C31 C32 1.369(16) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.378(15) . ?
C33 C34 1.391(16) . ?
C34 C35 1.386(16) . ?
C34 H34 0.9500 . ?
C35 C36 1.361(17) . ?
C35 H35 0.9500 . ?
C36 C37 1.391(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(16) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.403(14) . ?
C39 C40 1.404(14) . ?
C40 C41 1.381(16) . ?
C40 H40 0.9500 . ?
C41 C42 1.355(16) . ?
C41 H41 0.9500 . ?
C42 C43 1.406(16) . ?
C42 H42 0.9500 . ?
C43 C44 1.382(15) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.371(16) . ?
C45 C46 1.394(16) . ?
C46 C47 1.367(16) . ?
C46 H46 0.9500 . ?
C47 C48 1.352(16) . ?
C47 H47 0.9500 . ?
C48 C49 1.345(16) . ?
C48 H48 0.9500 . ?
C49 C50 1.384(17) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.359(16) . ?
C51 C56 1.424(16) . ?
C52 C53 1.390(19) . ?
C52 H52 0.9500 . ?
C53 C54 1.37(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.346(19) . ?
C54 H54 0.9500 . ?
C55 C56 1.381(17) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.341(17) . ?
C57 C58 1.366(17) . ?
C58 C59 1.38(2) . ?
C58 H58 0.9500 . ?
C59 C60 1.34(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.319(19) . ?
C60 H60 0.9500 . ?
C61 C62 1.390(17) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.347(17) . ?
C63 C64 1.406(15) . ?
C64 C65 1.381(19) . ?
C64 H64 0.9500 . ?
C65 C66 1.35(2) . ?
C65 H65 0.9500 . ?
C66 C67 1.375(19) . ?
C66 H66 0.9500 . ?
C67 C68 1.421(16) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.372(15) . ?
C69 C74 1.400(16) . ?
C70 C71 1.404(16) . ?
C70 H70 0.9500 . ?
C71 C72 1.357(17) . ?
C71 H71 0.9500 . ?
C72 C73 1.356(18) . ?
C72 H72 0.9500 . ?
C73 C74 1.395(17) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C80 1.365(17) . ?
C75 C76 1.396(17) . ?
C76 C77 1.41(2) . ?
C76 H76 0.9500 . ?
C77 C78 1.35(3) . ?
C77 H77 0.9500 . ?
C78 C79 1.37(2) . ?
C78 H78 0.9500 . ?
C79 C80 1.409(18) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.388(16) . ?
C81 C86 1.396(15) . ?
C82 C83 1.407(16) . ?
C82 H82 0.9500 . ?
C83 C84 1.361(17) . ?
C83 H83 0.9500 . ?
C84 C85 1.395(18) . ?
C84 H84 0.9500 . ?
C85 C86 1.382(16) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C92 1.376(15) . ?
C87 C88 1.386(15) . ?
C88 C89 1.420(16) . ?
C88 H88 0.9500 . ?
C89 C90 1.350(16) . ?
C89 H89 0.9500 . ?
C90 C91 1.373(16) . ?
C90 H90 0.9500 . ?
C91 C92 1.407(16) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C94 1.393(15) . ?
C93 C98 1.397(15) . ?
C94 C95 1.398(15) . ?
C94 H94 0.9500 . ?
C95 C96 1.376(16) . ?
C95 H95 0.9500 . ?
C96 C97 1.377(16) . ?
C96 H96 0.9500 . ?
C97 C98 1.402(16) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
C99 C100 1.387(18) . ?
C99 C104 1.393(16) . ?
C100 C101 1.414(18) . ?
C100 H100 0.9500 . ?
C101 C102 1.39(2) . ?
C101 H101 0.9500 . ?
C102 C103 1.36(2) . ?
C102 H102 0.9500 . ?
C103 C104 1.389(18) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
Cl3 H3 1.612(4) . ?
O1W H1W1 0.906(16) . ?
O1W H1W2 0.911(16) . ?
O200 C201 1.414(15) . ?
O200 H200 0.905(11) . ?
C201 C202 1.467(18) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
O300 O300 1.09(5) 2 ?
O300 C301 1.41(2) . ?
O300 H300 1.09(3) . ?
C301 C302 1.41(2) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C302 H30C 0.9800 . ?
C302 H30D 0.9800 . ?
C302 H30E 0.9800 . ?
O40A C41A 1.43(2) . ?
O40A O40A 2.03(7) 2 ?
O40A H40A 1.13(4) . ?
C41A C42A 1.45(2) . ?
C41A H41A 0.9900 . ?
C41A H41B 0.9900 . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
O40B O40B 1.68(5) 2 ?
O40B C41B 1.41(2) . ?
O40B H40B 1.13(3) . ?
C41B C42B 1.44(2) . ?
C41B H41C 0.9900 . ?
C41B H41D 0.9900 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
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
O1W H1W1 Cl2 0.906 2.154 3.021(16) 159.9 .
O1W H1W2 Cl3 0.911 2.069 2.921(16) 155.0 .
O200 H200 Cl2 0.905 2.209 3.075(11) 159.7 .
O300 H300 Cl1 1.09 2.401 3.39(3) 150.0 .
O40A H40A O40B 1.13 1.91 2.89(5) 142 .
O40B H40B Cl1 1.13 2.195 3.07(3) 132.1 .
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
S3 Hg1 Pt2 S2 -89.81(11) . . . . ?
S1 Hg1 Pt2 S2 101.24(11) . . . . ?
S4 Hg1 Pt2 S2 98.5(2) . . . . ?
Pt3 Hg1 Pt2 S2 -153.70(8) . . . . ?
S3 Hg1 Pt2 As7 -10.95(9) . . . . ?
S1 Hg1 Pt2 As7 -179.91(9) . . . . ?
S4 Hg1 Pt2 As7 177.4(2) . . . . ?
S2 Hg1 Pt2 As7 78.85(8) . . . . ?
Pt3 Hg1 Pt2 As7 -74.85(5) . . . . ?
S3 Hg1 Pt2 S1 168.96(11) . . . . ?
S4 Hg1 Pt2 S1 -2.7(2) . . . . ?
S2 Hg1 Pt2 S1 -101.24(11) . . . . ?
Pt3 Hg1 Pt2 S1 105.06(9) . . . . ?
S3 Hg1 Pt2 As8 90.65(9) . . . . ?
S1 Hg1 Pt2 As8 -78.30(9) . . . . ?
S4 Hg1 Pt2 As8 -81.0(2) . . . . ?
S2 Hg1 Pt2 As8 -179.54(8) . . . . ?
Pt3 Hg1 Pt2 As8 26.76(5) . . . . ?
S3 Hg1 Pt3 S4 107.27(12) . . . . ?
S1 Hg1 Pt3 S4 -86.92(11) . . . . ?
S2 Hg1 Pt3 S4 99.65(19) . . . . ?
Pt2 Hg1 Pt3 S4 -158.25(9) . . . . ?
S3 Hg1 Pt3 As6 -179.22(9) . . . . ?
S1 Hg1 Pt3 As6 -13.40(9) . . . . ?
S4 Hg1 Pt3 As6 73.52(9) . . . . ?
S2 Hg1 Pt3 As6 173.17(17) . . . . ?
Pt2 Hg1 Pt3 As6 -84.73(5) . . . . ?
S3 Hg1 Pt3 As5 -67.37(9) . . . . ?
S1 Hg1 Pt3 As5 98.45(9) . . . . ?
S4 Hg1 Pt3 As5 -174.64(9) . . . . ?
S2 Hg1 Pt3 As5 -74.99(17) . . . . ?
Pt2 Hg1 Pt3 As5 27.11(6) . . . . ?
S1 Hg1 Pt3 S3 165.82(12) . . . . ?
S4 Hg1 Pt3 S3 -107.27(12) . . . . ?
S2 Hg1 Pt3 S3 -7.62(19) . . . . ?
Pt2 Hg1 Pt3 S3 94.48(9) . . . . ?
S3 Hg1 Pt3 Pt1 53.70(8) . . . . ?
S1 Hg1 Pt3 Pt1 -140.48(8) . . . . ?
S4 Hg1 Pt3 Pt1 -53.56(8) . . . . ?
S2 Hg1 Pt3 Pt1 46.09(17) . . . . ?
Pt2 Hg1 Pt3 Pt1 148.19(3) . . . . ?
S3 Pt1 Pt3 S4 -125.34(13) . . . . ?
As4 Pt1 Pt3 S4 64.48(10) . . . . ?
As3 Pt1 Pt3 S4 -170.66(10) . . . . ?
S4 Pt1 Pt3 As6 -51.08(10) . . . . ?
S3 Pt1 Pt3 As6 -176.42(10) . . . . ?
As4 Pt1 Pt3 As6 13.39(6) . . . . ?
As3 Pt1 Pt3 As6 138.25(6) . . . . ?
S4 Pt1 Pt3 As5 -174.35(10) . . . . ?
S3 Pt1 Pt3 As5 60.31(10) . . . . ?
As4 Pt1 Pt3 As5 -109.87(6) . . . . ?
As3 Pt1 Pt3 As5 14.99(7) . . . . ?
S4 Pt1 Pt3 S3 125.34(13) . . . . ?
As4 Pt1 Pt3 S3 -170.19(9) . . . . ?
As3 Pt1 Pt3 S3 -45.32(10) . . . . ?
S4 Pt1 Pt3 Hg1 68.17(9) . . . . ?
S3 Pt1 Pt3 Hg1 -57.16(9) . . . . ?
As4 Pt1 Pt3 Hg1 132.65(4) . . . . ?
As3 Pt1 Pt3 Hg1 -102.49(5) . . . . ?
S2 Pt4 As1 C15 57.8(4) . . . . ?
S1 Pt4 As1 C15 -12(3) . . . . ?
As2 Pt4 As1 C15 -126.4(4) . . . . ?
S2 Pt4 As1 C9 -68.9(4) . . . . ?
S1 Pt4 As1 C9 -138(3) . . . . ?
As2 Pt4 As1 C9 106.9(4) . . . . ?
S2 Pt4 As1 C1 178.6(4) . . . . ?
S1 Pt4 As1 C1 109(3) . . . . ?
As2 Pt4 As1 C1 -5.6(4) . . . . ?
S2 Pt4 As2 C21 -46.6(11) . . . . ?
S1 Pt4 As2 C21 45.9(4) . . . . ?
As1 Pt4 As2 C21 -135.4(4) . . . . ?
S2 Pt4 As2 C27 -175.4(11) . . . . ?
S1 Pt4 As2 C27 -82.9(4) . . . . ?
As1 Pt4 As2 C27 95.9(4) . . . . ?
S2 Pt4 As2 C2 69.9(11) . . . . ?
S1 Pt4 As2 C2 162.4(4) . . . . ?
As1 Pt4 As2 C2 -18.9(3) . . . . ?
S4 Pt1 As3 C33 -140.9(6) . . . . ?
S3 Pt1 As3 C33 -37.0(4) . . . . ?
As4 Pt1 As3 C33 132.0(4) . . . . ?
Pt3 Pt1 As3 C33 -3.8(4) . . . . ?
S4 Pt1 As3 C39 -19.1(6) . . . . ?
S3 Pt1 As3 C39 84.8(4) . . . . ?
As4 Pt1 As3 C39 -106.2(3) . . . . ?
Pt3 Pt1 As3 C39 118.0(3) . . . . ?
S4 Pt1 As3 C3 95.3(5) . . . . ?
S3 Pt1 As3 C3 -160.8(3) . . . . ?
As4 Pt1 As3 C3 8.2(3) . . . . ?
Pt3 Pt1 As3 C3 -127.6(3) . . . . ?
S4 Pt1 As4 C51 -31.4(4) . . . . ?
S3 Pt1 As4 C51 -115.8(5) . . . . ?
As3 Pt1 As4 C51 138.2(4) . . . . ?
Pt3 Pt1 As4 C51 -74.5(4) . . . . ?
S4 Pt1 As4 C45 93.8(4) . . . . ?
S3 Pt1 As4 C45 9.4(6) . . . . ?
As3 Pt1 As4 C45 -96.6(4) . . . . ?
Pt3 Pt1 As4 C45 50.7(4) . . . . ?
S4 Pt1 As4 C4 -154.5(3) . . . . ?
S3 Pt1 As4 C4 121.2(5) . . . . ?
As3 Pt1 As4 C4 15.2(3) . . . . ?
Pt3 Pt1 As4 C4 162.4(3) . . . . ?
S4 Pt3 As5 C5 107.7(8) . . . . ?
As6 Pt3 As5 C5 9.7(4) . . . . ?
S3 Pt3 As5 C5 -167.8(4) . . . . ?
Hg1 Pt3 As5 C5 -121.1(4) . . . . ?
Pt1 Pt3 As5 C5 151.1(4) . . . . ?
S4 Pt3 As5 C63 -131.5(8) . . . . ?
As6 Pt3 As5 C63 130.5(4) . . . . ?
S3 Pt3 As5 C63 -47.0(4) . . . . ?
Hg1 Pt3 As5 C63 -0.3(4) . . . . ?
Pt1 Pt3 As5 C63 -88.1(4) . . . . ?
S4 Pt3 As5 C57 -7.5(9) . . . . ?
As6 Pt3 As5 C57 -105.5(4) . . . . ?
S3 Pt3 As5 C57 77.0(4) . . . . ?
Hg1 Pt3 As5 C57 123.6(4) . . . . ?
Pt1 Pt3 As5 C57 35.9(4) . . . . ?
S4 Pt3 As6 C6 -162.1(4) . . . . ?
As5 Pt3 As6 C6 11.8(4) . . . . ?
S3 Pt3 As6 C6 128.7(16) . . . . ?
Hg1 Pt3 As6 C6 141.5(4) . . . . ?
Pt1 Pt3 As6 C6 -126.2(4) . . . . ?
S4 Pt3 As6 C75 81.6(4) . . . . ?
As5 Pt3 As6 C75 -104.5(4) . . . . ?
S3 Pt3 As6 C75 12.4(16) . . . . ?
Hg1 Pt3 As6 C75 25.2(4) . . . . ?
Pt1 Pt3 As6 C75 117.5(4) . . . . ?
S4 Pt3 As6 C69 -42.5(4) . . . . ?
As5 Pt3 As6 C69 131.3(4) . . . . ?
S3 Pt3 As6 C69 -111.7(16) . . . . ?
Hg1 Pt3 As6 C69 -99.0(4) . . . . ?
Pt1 Pt3 As6 C69 -6.6(4) . . . . ?
S2 Pt2 As7 C87 -71.4(3) . . . . ?
S1 Pt2 As7 C87 -135.0(9) . . . . ?
As8 Pt2 As7 C87 106.9(3) . . . . ?
Hg1 Pt2 As7 C87 -134.2(3) . . . . ?
S2 Pt2 As7 C7 172.5(4) . . . . ?
S1 Pt2 As7 C7 108.9(9) . . . . ?
As8 Pt2 As7 C7 -9.2(4) . . . . ?
Hg1 Pt2 As7 C7 109.7(4) . . . . ?
S2 Pt2 As7 C81 57.4(4) . . . . ?
S1 Pt2 As7 C81 -6.3(10) . . . . ?
As8 Pt2 As7 C81 -124.3(4) . . . . ?
Hg1 Pt2 As7 C81 -5.4(4) . . . . ?
S2 Pt2 As8 C93 171(80) . . . . ?
As7 Pt2 As8 C93 101.4(3) . . . . ?
S1 Pt2 As8 C93 -74.3(4) . . . . ?
Hg1 Pt2 As8 C93 -21.9(3) . . . . ?
S2 Pt2 As8 C99 -63(2) . . . . ?
As7 Pt2 As8 C99 -133.2(4) . . . . ?
S1 Pt2 As8 C99 51.1(4) . . . . ?
Hg1 Pt2 As8 C99 103.5(4) . . . . ?
S2 Pt2 As8 C8 56(2) . . . . ?
As7 Pt2 As8 C8 -14.4(4) . . . . ?
S1 Pt2 As8 C8 169.9(4) . . . . ?
Hg1 Pt2 As8 C8 -137.7(4) . . . . ?
S2 Pt4 S1 Pt2 -27.71(9) . . . . ?
As1 Pt4 S1 Pt2 42(3) . . . . ?
As2 Pt4 S1 Pt2 156.47(6) . . . . ?
S2 Pt4 S1 Hg1 48.36(9) . . . . ?
As1 Pt4 S1 Hg1 118(3) . . . . ?
As2 Pt4 S1 Hg1 -127.46(7) . . . . ?
S2 Pt2 S1 Pt4 27.49(9) . . . . ?
As7 Pt2 S1 Pt4 91.5(9) . . . . ?
As8 Pt2 S1 Pt4 -150.85(6) . . . . ?
Hg1 Pt2 S1 Pt4 90.63(8) . . . . ?
S2 Pt2 S1 Hg1 -63.14(8) . . . . ?
As7 Pt2 S1 Hg1 0.9(9) . . . . ?
As8 Pt2 S1 Hg1 118.52(5) . . . . ?
S3 Hg1 S1 Pt4 -144.4(4) . . . . ?
S4 Hg1 S1 Pt4 90.63(10) . . . . ?
S2 Hg1 S1 Pt4 -39.15(8) . . . . ?
Pt2 Hg1 S1 Pt4 -88.54(8) . . . . ?
Pt3 Hg1 S1 Pt4 143.15(5) . . . . ?
S3 Hg1 S1 Pt2 -55.9(5) . . . . ?
S4 Hg1 S1 Pt2 179.17(7) . . . . ?
S2 Hg1 S1 Pt2 49.38(7) . . . . ?
Pt3 Hg1 S1 Pt2 -128.32(5) . . . . ?
S1 Pt4 S2 Pt2 27.96(9) . . . . ?
As1 Pt4 S2 Pt2 -150.75(7) . . . . ?
As2 Pt4 S2 Pt2 120.8(10) . . . . ?
S1 Pt4 S2 Hg1 -40.07(8) . . . . ?
As1 Pt4 S2 Hg1 141.22(5) . . . . ?
As2 Pt4 S2 Hg1 52.8(11) . . . . ?
As7 Pt2 S2 Pt4 156.72(7) . . . . ?
S1 Pt2 S2 Pt4 -27.67(9) . . . . ?
As8 Pt2 S2 Pt4 87(2) . . . . ?
Hg1 Pt2 S2 Pt4 -80.06(7) . . . . ?
As7 Pt2 S2 Hg1 -123.22(4) . . . . ?
S1 Pt2 S2 Hg1 52.39(7) . . . . ?
As8 Pt2 S2 Hg1 167(12) . . . . ?
S3 Hg1 S2 Pt4 -151.57(8) . . . . ?
S1 Hg1 S2 Pt4 40.09(8) . . . . ?
S4 Hg1 S2 Pt4 -64.07(12) . . . . ?
Pt2 Hg1 S2 Pt4 93.24(8) . . . . ?
Pt3 Hg1 S2 Pt4 -145.37(12) . . . . ?
S3 Hg1 S2 Pt2 115.20(8) . . . . ?
S1 Hg1 S2 Pt2 -53.15(8) . . . . ?
S4 Hg1 S2 Pt2 -157.31(9) . . . . ?
Pt3 Hg1 S2 Pt2 121.40(14) . . . . ?
S4 Pt1 S3 Pt3 -38.24(9) . . . . ?
As4 Pt1 S3 Pt3 47.1(4) . . . . ?
As3 Pt1 S3 Pt3 151.86(6) . . . . ?
S4 Pt1 S3 Hg1 40.20(9) . . . . ?
As4 Pt1 S3 Hg1 125.5(4) . . . . ?
As3 Pt1 S3 Hg1 -129.70(7) . . . . ?
Pt3 Pt1 S3 Hg1 78.44(8) . . . . ?
S4 Pt3 S3 Pt1 37.99(9) . . . . ?
As6 Pt3 S3 Pt1 107.5(15) . . . . ?
As5 Pt3 S3 Pt1 -135.83(6) . . . . ?
Hg1 Pt3 S3 Pt1 94.24(8) . . . . ?
S4 Pt3 S3 Hg1 -56.25(8) . . . . ?
As6 Pt3 S3 Hg1 13.2(16) . . . . ?
As5 Pt3 S3 Hg1 129.93(6) . . . . ?
Pt1 Pt3 S3 Hg1 -94.24(8) . . . . ?
S1 Hg1 S3 Pt1 -162.4(4) . . . . ?
S4 Hg1 S3 Pt1 -34.18(8) . . . . ?
S2 Hg1 S3 Pt1 96.40(9) . . . . ?
Pt2 Hg1 S3 Pt1 148.29(5) . . . . ?
Pt3 Hg1 S3 Pt1 -80.89(8) . . . . ?
S1 Hg1 S3 Pt3 -81.5(5) . . . . ?
S4 Hg1 S3 Pt3 46.71(8) . . . . ?
S2 Hg1 S3 Pt3 177.29(7) . . . . ?
Pt2 Hg1 S3 Pt3 -130.82(5) . . . . ?
S3 Pt1 S4 Pt3 38.62(9) . . . . ?
As4 Pt1 S4 Pt3 -130.02(7) . . . . ?
As3 Pt1 S4 Pt3 143.7(4) . . . . ?
S3 Pt1 S4 Hg1 -34.87(8) . . . . ?
As4 Pt1 S4 Hg1 156.49(6) . . . . ?
As3 Pt1 S4 Hg1 70.2(4) . . . . ?
Pt3 Pt1 S4 Hg1 -73.49(7) . . . . ?
As6 Pt3 S4 Pt1 144.49(6) . . . . ?
As5 Pt3 S4 Pt1 47.0(8) . . . . ?
S3 Pt3 S4 Pt1 -38.13(9) . . . . ?
Hg1 Pt3 S4 Pt1 -87.04(7) . . . . ?
As6 Pt3 S4 Hg1 -128.47(5) . . . . ?
As5 Pt3 S4 Hg1 134.0(7) . . . . ?
S3 Pt3 S4 Hg1 48.90(7) . . . . ?
Pt1 Pt3 S4 Hg1 87.04(8) . . . . ?
S3 Hg1 S4 Pt1 34.50(8) . . . . ?
S1 Hg1 S4 Pt1 -155.08(8) . . . . ?
S2 Hg1 S4 Pt1 -69.86(12) . . . . ?
Pt2 Hg1 S4 Pt1 -152.82(16) . . . . ?
Pt3 Hg1 S4 Pt1 83.50(8) . . . . ?
S3 Hg1 S4 Pt3 -49.00(8) . . . . ?
S1 Hg1 S4 Pt3 121.42(8) . . . . ?
S2 Hg1 S4 Pt3 -153.36(8) . . . . ?
Pt2 Hg1 S4 Pt3 123.68(18) . . . . ?
C15 As1 C1 C2 165.7(7) . . . . ?
C9 As1 C1 C2 -83.7(8) . . . . ?
Pt4 As1 C1 C2 36.7(8) . . . . ?
As1 C1 C2 As2 -52.9(9) . . . . ?
C21 As2 C2 C1 172.3(8) . . . . ?
C27 As2 C2 C1 -75.8(9) . . . . ?
Pt4 As2 C2 C1 47.6(8) . . . . ?
C33 As3 C3 C4 -172.0(8) . . . . ?
C39 As3 C3 C4 78.8(8) . . . . ?
Pt1 As3 C3 C4 -38.3(8) . . . . ?
As3 C3 C4 As4 51.2(8) . . . . ?
C51 As4 C4 C3 -174.1(7) . . . . ?
C45 As4 C4 C3 74.2(8) . . . . ?
Pt1 As4 C4 C3 -43.7(7) . . . . ?
C63 As5 C5 C6 -169.4(9) . . . . ?
C57 As5 C5 C6 80.8(9) . . . . ?
Pt3 As5 C5 C6 -37.1(9) . . . . ?
As5 C5 C6 As6 48.3(10) . . . . ?
C75 As6 C6 C5 81.0(10) . . . . ?
C69 As6 C6 C5 -170.4(9) . . . . ?
Pt3 As6 C6 C5 -38.8(10) . . . . ?
C87 As7 C7 C8 -84.7(9) . . . . ?
C81 As7 C7 C8 164.6(8) . . . . ?
Pt2 As7 C7 C8 38.7(9) . . . . ?
As7 C7 C8 As8 -51.3(9) . . . . ?
C93 As8 C8 C7 -79.1(8) . . . . ?
C99 As8 C8 C7 172.8(8) . . . . ?
Pt2 As8 C8 C7 42.6(8) . . . . ?
C15 As1 C9 C14 -143.4(9) . . . . ?
C1 As1 C9 C14 106.6(10) . . . . ?
Pt4 As1 C9 C14 -10.1(10) . . . . ?
C15 As1 C9 C10 43.9(10) . . . . ?
C1 As1 C9 C10 -66.2(10) . . . . ?
Pt4 As1 C9 C10 177.2(8) . . . . ?
C14 C9 C10 C11 3.4(18) . . . . ?
As1 C9 C10 C11 176.1(9) . . . . ?
C9 C10 C11 C12 -1.2(19) . . . . ?
C10 C11 C12 C13 -0.5(19) . . . . ?
C11 C12 C13 C14 0.0(19) . . . . ?
C10 C9 C14 C13 -3.8(18) . . . . ?
As1 C9 C14 C13 -176.6(9) . . . . ?
C12 C13 C14 C9 2.2(18) . . . . ?
C9 As1 C15 C20 67.8(10) . . . . ?
C1 As1 C15 C20 175.1(9) . . . . ?
Pt4 As1 C15 C20 -62.5(10) . . . . ?
C9 As1 C15 C16 -115.1(9) . . . . ?
C1 As1 C15 C16 -7.8(10) . . . . ?
Pt4 As1 C15 C16 114.6(9) . . . . ?
C20 C15 C16 C17 -0.1(17) . . . . ?
As1 C15 C16 C17 -177.3(9) . . . . ?
C15 C16 C17 C18 1.2(19) . . . . ?
C16 C17 C18 C19 -3.0(19) . . . . ?
C17 C18 C19 C20 3.6(18) . . . . ?
C16 C15 C20 C19 0.8(17) . . . . ?
As1 C15 C20 C19 177.9(9) . . . . ?
C18 C19 C20 C15 -2.5(18) . . . . ?
C27 As2 C21 C26 158.3(10) . . . . ?
C2 As2 C21 C26 -92.2(11) . . . . ?
Pt4 As2 C21 C26 25.0(11) . . . . ?
C27 As2 C21 C22 -23.1(11) . . . . ?
C2 As2 C21 C22 86.4(11) . . . . ?
Pt4 As2 C21 C22 -156.3(9) . . . . ?
C26 C21 C22 C23 1(2) . . . . ?
As2 C21 C22 C23 -177.2(10) . . . . ?
C21 C22 C23 C24 1(2) . . . . ?
C22 C23 C24 C25 -2(2) . . . . ?
C23 C24 C25 C26 1(2) . . . . ?
C22 C21 C26 C25 -2(2) . . . . ?
As2 C21 C26 C25 176.5(11) . . . . ?
C24 C25 C26 C21 1(2) . . . . ?
C21 As2 C27 C28 81.6(12) . . . . ?
C2 As2 C27 C28 -28.7(12) . . . . ?
Pt4 As2 C27 C28 -144.8(10) . . . . ?
C21 As2 C27 C32 -101.3(10) . . . . ?
C2 As2 C27 C32 148.4(9) . . . . ?
Pt4 As2 C27 C32 32.3(10) . . . . ?
C32 C27 C28 C29 2(2) . . . . ?
As2 C27 C28 C29 179.4(12) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C29 C30 C31 C32 3(2) . . . . ?
C30 C31 C32 C27 -3.8(19) . . . . ?
C28 C27 C32 C31 1.0(19) . . . . ?
As2 C27 C32 C31 -176.2(9) . . . . ?
C39 As3 C33 C38 -143.6(9) . . . . ?
C3 As3 C33 C38 105.5(9) . . . . ?
Pt1 As3 C33 C38 -18.9(10) . . . . ?
C39 As3 C33 C34 38.0(10) . . . . ?
C3 As3 C33 C34 -72.9(10) . . . . ?
Pt1 As3 C33 C34 162.7(8) . . . . ?
C38 C33 C34 C35 0.2(18) . . . . ?
As3 C33 C34 C35 178.5(10) . . . . ?
C33 C34 C35 C36 0(2) . . . . ?
C34 C35 C36 C37 0(2) . . . . ?
C35 C36 C37 C38 0.6(19) . . . . ?
C34 C33 C38 C37 0.4(18) . . . . ?
As3 C33 C38 C37 -178.0(9) . . . . ?
C36 C37 C38 C33 -0.7(19) . . . . ?
C33 As3 C39 C44 90.0(9) . . . . ?
C3 As3 C39 C44 -158.6(9) . . . . ?
Pt1 As3 C39 C44 -43.0(9) . . . . ?
C33 As3 C39 C40 -92.2(10) . . . . ?
C3 As3 C39 C40 19.2(11) . . . . ?
Pt1 As3 C39 C40 134.8(9) . . . . ?
C44 C39 C40 C41 -2.4(17) . . . . ?
As3 C39 C40 C41 179.9(9) . . . . ?
C39 C40 C41 C42 2.4(18) . . . . ?
C40 C41 C42 C43 -1(2) . . . . ?
C41 C42 C43 C44 0.3(19) . . . . ?
C42 C43 C44 C39 -0.4(17) . . . . ?
C40 C39 C44 C43 1.4(17) . . . . ?
As3 C39 C44 C43 179.3(9) . . . . ?
C51 As4 C45 C50 100.6(11) . . . . ?
C4 As4 C45 C50 -146.7(10) . . . . ?
Pt1 As4 C45 C50 -31.9(11) . . . . ?
C51 As4 C45 C46 -79.6(11) . . . . ?
C4 As4 C45 C46 33.1(11) . . . . ?
Pt1 As4 C45 C46 147.9(9) . . . . ?
C50 C45 C46 C47 1.8(19) . . . . ?
As4 C45 C46 C47 -178.0(10) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
C46 C47 C48 C49 -1(2) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C46 C45 C50 C49 -3(2) . . . . ?
As4 C45 C50 C49 176.8(10) . . . . ?
C48 C49 C50 C45 2(2) . . . . ?
C45 As4 C51 C52 21.2(12) . . . . ?
C4 As4 C51 C52 -88.0(11) . . . . ?
Pt1 As4 C51 C52 149.0(10) . . . . ?
C45 As4 C51 C56 -158.5(9) . . . . ?
C4 As4 C51 C56 92.3(10) . . . . ?
Pt1 As4 C51 C56 -30.7(10) . . . . ?
C56 C51 C52 C53 -4(2) . . . . ?
As4 C51 C52 C53 175.8(11) . . . . ?
C51 C52 C53 C54 3(2) . . . . ?
C52 C53 C54 C55 -2(2) . . . . ?
C53 C54 C55 C56 2(2) . . . . ?
C54 C55 C56 C51 -3(2) . . . . ?
C52 C51 C56 C55 4.1(18) . . . . ?
As4 C51 C56 C55 -176.2(10) . . . . ?
C5 As5 C57 C62 -117.7(12) . . . . ?
C63 As5 C57 C62 132.4(12) . . . . ?
Pt3 As5 C57 C62 -2.0(12) . . . . ?
C5 As5 C57 C58 67.3(17) . . . . ?
C63 As5 C57 C58 -42.7(17) . . . . ?
Pt3 As5 C57 C58 -177.1(15) . . . . ?
C62 C57 C58 C59 -1(3) . . . . ?
As5 C57 C58 C59 174.5(18) . . . . ?
C57 C58 C59 C60 1(4) . . . . ?
C58 C59 C60 C61 1(3) . . . . ?
C59 C60 C61 C62 -3(3) . . . . ?
C58 C57 C62 C61 -2(3) . . . . ?
As5 C57 C62 C61 -176.9(13) . . . . ?
C60 C61 C62 C57 4(3) . . . . ?
C5 As5 C63 C68 141.5(10) . . . . ?
C57 As5 C63 C68 -107.2(11) . . . . ?
Pt3 As5 C63 C68 19.4(12) . . . . ?
C5 As5 C63 C64 -39.4(10) . . . . ?
C57 As5 C63 C64 72.0(10) . . . . ?
Pt3 As5 C63 C64 -161.4(8) . . . . ?
C68 C63 C64 C65 1.1(19) . . . . ?
As5 C63 C64 C65 -178.1(10) . . . . ?
C63 C64 C65 C66 -1(2) . . . . ?
C64 C65 C66 C67 1(2) . . . . ?
C65 C66 C67 C68 -2(2) . . . . ?
C64 C63 C68 C67 -1.9(19) . . . . ?
As5 C63 C68 C67 177.3(9) . . . . ?
C66 C67 C68 C63 2.1(19) . . . . ?
C6 As6 C69 C70 138.4(10) . . . . ?
C75 As6 C69 C70 -110.8(10) . . . . ?
Pt3 As6 C69 C70 16.9(11) . . . . ?
C6 As6 C69 C74 -41.5(10) . . . . ?
C75 As6 C69 C74 69.3(10) . . . . ?
Pt3 As6 C69 C74 -162.9(8) . . . . ?
C74 C69 C70 C71 0.0(18) . . . . ?
As6 C69 C70 C71 -179.8(9) . . . . ?
C69 C70 C71 C72 0.6(19) . . . . ?
C70 C71 C72 C73 -1(2) . . . . ?
C71 C72 C73 C74 2(2) . . . . ?
C72 C73 C74 C69 -1.0(19) . . . . ?
C70 C69 C74 C73 0.2(18) . . . . ?
As6 C69 C74 C73 180.0(9) . . . . ?
C6 As6 C75 C80 -154.7(10) . . . . ?
C69 As6 C75 C80 96.9(10) . . . . ?
Pt3 As6 C75 C80 -37.8(11) . . . . ?
C6 As6 C75 C76 26.7(11) . . . . ?
C69 As6 C75 C76 -81.8(11) . . . . ?
Pt3 As6 C75 C76 143.6(9) . . . . ?
C80 C75 C76 C77 1(2) . . . . ?
As6 C75 C76 C77 179.3(11) . . . . ?
C75 C76 C77 C78 0(2) . . . . ?
C76 C77 C78 C79 0(3) . . . . ?
C77 C78 C79 C80 -1(2) . . . . ?
C76 C75 C80 C79 -1(2) . . . . ?
As6 C75 C80 C79 -179.9(10) . . . . ?
C78 C79 C80 C75 1(2) . . . . ?
C87 As7 C81 C82 112.7(10) . . . . ?
C7 As7 C81 C82 -138.5(10) . . . . ?
Pt2 As7 C81 C82 -20.1(11) . . . . ?
C87 As7 C81 C86 -67.8(10) . . . . ?
C7 As7 C81 C86 41.0(10) . . . . ?
Pt2 As7 C81 C86 159.4(8) . . . . ?
C86 C81 C82 C83 0.2(19) . . . . ?
As7 C81 C82 C83 179.7(10) . . . . ?
C81 C82 C83 C84 -1(2) . . . . ?
C82 C83 C84 C85 2(2) . . . . ?
C83 C84 C85 C86 -3(2) . . . . ?
C84 C85 C86 C81 2.2(19) . . . . ?
C82 C81 C86 C85 -1.0(18) . . . . ?
As7 C81 C86 C85 179.5(9) . . . . ?
C7 As7 C87 C92 134.0(9) . . . . ?
C81 As7 C87 C92 -118.8(9) . . . . ?
Pt2 As7 C87 C92 15.7(10) . . . . ?
C7 As7 C87 C88 -45.8(10) . . . . ?
C81 As7 C87 C88 61.4(10) . . . . ?
Pt2 As7 C87 C88 -164.1(8) . . . . ?
C92 C87 C88 C89 -1.0(17) . . . . ?
As7 C87 C88 C89 178.8(9) . . . . ?
C87 C88 C89 C90 0.9(18) . . . . ?
C88 C89 C90 C91 -0.2(19) . . . . ?
C89 C90 C91 C92 -0.4(19) . . . . ?
C88 C87 C92 C91 0.4(17) . . . . ?
As7 C87 C92 C91 -179.4(9) . . . . ?
C90 C91 C92 C87 0.3(19) . . . . ?
C99 As8 C93 C94 -77.9(9) . . . . ?
C8 As8 C93 C94 173.8(8) . . . . ?
Pt2 As8 C93 C94 56.9(9) . . . . ?
C99 As8 C93 C98 105.3(9) . . . . ?
C8 As8 C93 C98 -3.0(10) . . . . ?
Pt2 As8 C93 C98 -119.9(8) . . . . ?
C98 C93 C94 C95 -2.6(17) . . . . ?
As8 C93 C94 C95 -179.5(9) . . . . ?
C93 C94 C95 C96 1.1(18) . . . . ?
C94 C95 C96 C97 -0.3(18) . . . . ?
C95 C96 C97 C98 1.1(18) . . . . ?
C94 C93 C98 C97 3.3(16) . . . . ?
As8 C93 C98 C97 -180.0(8) . . . . ?
C96 C97 C98 C93 -2.5(17) . . . . ?
C93 As8 C99 C100 94.0(10) . . . . ?
C8 As8 C99 C100 -156.5(10) . . . . ?
Pt2 As8 C99 C100 -36.1(11) . . . . ?
C93 As8 C99 C104 -87.3(10) . . . . ?
C8 As8 C99 C104 22.1(10) . . . . ?
Pt2 As8 C99 C104 142.5(8) . . . . ?
C104 C99 C100 C101 1.5(19) . . . . ?
As8 C99 C100 C101 -179.8(11) . . . . ?
C99 C100 C101 C102 0(2) . . . . ?
C100 C101 C102 C103 -2(2) . . . . ?
C101 C102 C103 C104 3(2) . . . . ?
C102 C103 C104 C99 -2(2) . . . . ?
C100 C99 C104 C103 -0.5(18) . . . . ?
As8 C99 C104 C103 -179.1(9) . . . . ?
O300 O300 C301 C302 53(6) 2 . . . ?
O40A O40A C41A C42A -58(10) 2 . . . ?
O40B O40B C41B C42B 107(8) 2 . . . ?
