#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:54:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179160 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/21/4312125.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_4312125
loop_
_publ_author_name
'Martin A. Bennett'
'Suresh K. Bhargava'
'Alan M. Bond'
'Alison J. Edwards'
'Si-Xuan Guo'
'Steven H. Privér'
'A. David Rae'
'Anthony C. Willis'
_publ_contact_author_address
;
R.S.C., A.N.U.
;
_publ_contact_author_email       AJED@RSC.ANU.EDU.AU
_publ_contact_author_name        'Alison J. Edwards'
_publ_section_title
;
 Synthesis, Characterization, and Electrochemical Relationships of
 Dinuclear Complexes of Platinum(II) and Platinum(III) Containing
 Ortho-Metalated Tertiary Arsine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7752
_journal_page_last               7763
_journal_paper_doi               10.1021/ic0498790
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source        'Local laboratory'
_chemical_formula_moiety         'C76 H64 As4 Cl2 Pt2, 4 C1 H2 Cl2 '
_chemical_formula_sum            'C80 H72 As4 Cl10 Pt2'
_chemical_formula_weight         2077.85
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             01-27-11
_audit_creation_method           'maXus + CRYSTALS_ver_12-03-99'
_cell_angle_alpha                97.7853(9)
_cell_angle_beta                 98.1840(10)
_cell_angle_gamma                115.2438(9)
_cell_formula_units_Z            1
_cell_length_a                   12.5394(2)
_cell_length_b                   12.7062(2)
_cell_length_c                   13.5404(3)
_cell_measurement_reflns_used    41919
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     1884.53(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       ' COLLECT (Nonius BV, 1997) '
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
;
  CAMERON (Watkin et al 1996)
;
_computing_publication_material
;
  CRYSTALS (Watkin et al 2001) + maXus(Mackay et al., 1999)
;
_computing_structure_refinement
;
  CRYSTALS (Watkin et al 2001)
;
_computing_structure_solution
;
  SIR97 (Altomare et al, 1999)
;
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.01586
_diffrn_orient_matrix_UB_12      0.05085
_diffrn_orient_matrix_UB_13      -0.07310
_diffrn_orient_matrix_UB_21      0.06877
_diffrn_orient_matrix_UB_22      0.04627
_diffrn_orient_matrix_UB_23      -0.03289
_diffrn_orient_matrix_UB_31      0.02423
_diffrn_orient_matrix_UB_32      -0.04446
_diffrn_orient_matrix_UB_33      -0.05731
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            48317
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    5.85
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.460
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.88
_refine_diff_density_min         -1.07
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0725
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4906
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001054
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979,
0.248    0.113    0.348E-01
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0358
_reflns_d_resolution_high        0.62
_reflns_d_resolution_low         1.81
_reflns_limit_h_max              15
_reflns_limit_h_min              -16
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                4906
_reflns_number_total             8655
_reflns_threshold_expression     'I> 3.00 sigma(I)'
_cod_data_source_file            ic0498790si20040130_085008_3.cif
_cod_data_source_block           mbsp3z
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4312125
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
-X,-Y,-Z
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_occupancy
_atom_site_adp_type
Pt1 pt 0.53707(2) 0.10864(2) 0.47362(2) 0.0242 1.0000 Uani
As1 as 0.40376(6) -0.19781(6) 0.34174(5) 0.0294 1.0000 Uani
As2 as 0.27375(6) -0.09835(6) 0.54284(5) 0.0291 1.0000 Uani
Cl1 cl 0.64957(15) 0.31616(14) 0.45155(14) 0.0395 1.0000 Uani
C111 c 0.4321(6) -0.0771(6) 0.2634(5) 0.0375 1.0000 Uani
C112 c 0.4707(6) 0.0408(6) 0.3152(5) 0.0319 1.0000 Uani
C113 c 0.4714(6) 0.1211(6) 0.2537(5) 0.0392 1.0000 Uani
C114 c 0.4432(7) 0.0912(7) 0.1480(6) 0.0439 1.0000 Uani
C115 c 0.4125(7) -0.0237(7) 0.0990(6) 0.0469 1.0000 Uani
C116 c 0.4055(7) -0.1083(6) 0.1567(5) 0.0416 1.0000 Uani
C117 c 0.449(1) 0.1825(9) 0.0857(7) 0.0691 1.0000 Uani
C121 c 0.2396(6) -0.3213(6) 0.2730(5) 0.0374 1.0000 Uani
C122 c 0.1949(7) -0.4320(7) 0.3005(7) 0.0547 1.0000 Uani
C123 c 0.0847(8) -0.5237(8) 0.2479(7) 0.0630 1.0000 Uani
C124 c 0.0180(7) -0.5072(8) 0.1653(7) 0.0628 1.0000 Uani
C125 c 0.0601(8) -0.3972(8) 0.1388(7) 0.0629 1.0000 Uani
C126 c 0.1696(7) -0.3053(7) 0.1936(6) 0.0473 1.0000 Uani
C131 c 0.4920(6) -0.2832(6) 0.2964(5) 0.0400 1.0000 Uani
C132 c 0.4873(7) -0.3789(7) 0.3398(7) 0.0501 1.0000 Uani
C133 c 0.5418(8) -0.4458(8) 0.3028(7) 0.0617 1.0000 Uani
C134 c 0.6047(8) -0.417(1) 0.2278(8) 0.0699 1.0000 Uani
C135 c 0.6131(8) -0.320(1) 0.1874(7) 0.0669 1.0000 Uani
C136 c 0.5571(7) -0.2521(8) 0.2223(6) 0.0504 1.0000 Uani
C211 c 0.2717(6) 0.0387(6) 0.5001(5) 0.0333 1.0000 Uani
C212 c 0.3721(6) 0.1191(5) 0.4715(5) 0.0301 1.0000 Uani
C213 c 0.3643(6) 0.2148(6) 0.4385(6) 0.0378 1.0000 Uani
C214 c 0.2635(7) 0.2343(6) 0.4363(6) 0.0450 1.0000 Uani
C215 c 0.1658(7) 0.1542(7) 0.4663(7) 0.0479 1.0000 Uani
C216 c 0.1690(6) 0.0562(7) 0.4967(6) 0.0456 1.0000 Uani
C217 c 0.2626(9) 0.3423(8) 0.4020(9) 0.0702 1.0000 Uani
C221 c 0.1143(6) -0.2255(6) 0.4700(5) 0.0371 1.0000 Uani
C222 c 0.0534(6) -0.3213(6) 0.5127(6) 0.0435 1.0000 Uani
C223 c -0.0622(6) -0.4080(7) 0.4623(7) 0.0493 1.0000 Uani
C224 c -0.1151(7) -0.4011(7) 0.3702(8) 0.0596 1.0000 Uani
C225 c -0.0553(7) -0.3059(8) 0.3264(7) 0.0591 1.0000 Uani
C226 c 0.0595(7) -0.2186(7) 0.3769(6) 0.0488 1.0000 Uani
C231 c 0.2432(6) -0.0905(7) 0.6805(6) 0.0416 1.0000 Uani
C232 c 0.2515(7) -0.1721(7) 0.7353(6) 0.0447 1.0000 Uani
C233 c 0.2209(8) -0.1749(9) 0.8302(6) 0.0594 1.0000 Uani
C234 c 0.1816(9) -0.0952(12) 0.8689(7) 0.0784 1.0000 Uani
C235 c 0.1748(9) -0.011(1) 0.8170(8) 0.0711 1.0000 Uani
C236 c 0.2057(7) -0.0077(8) 0.7218(6) 0.0543 1.0000 Uani
C1 c 0.7123(12) 0.5066(11) -0.066(1) 0.1016 1.0000 Uani
C2 c 0.1429(12) 0.0183(12) 0.2044(11) 0.1113 1.0000 Uani
Cl2 cl 0.7054(4) 0.4262(3) 0.0277(3) 0.1097 1.0000 Uani
Cl3 cl 0.7903(5) 0.6564(4) -0.0186(4) 0.1328 1.0000 Uani
Cl4 cl 0.0431(3) -0.1138(4) 0.1232(3) 0.1053 1.0000 Uani
Cl5 cl 0.1613(4) 0.1400(4) 0.1522(4) 0.1519 1.0000 Uani
H1131 h 0.4956(6) 0.2052(6) 0.2881(5) 0.0461 1.0000 Uiso
H1151 h 0.3944(7) -0.0468(7) 0.0227(6) 0.0530 1.0000 Uiso
H1161 h 0.3821(7) -0.1919(6) 0.1214(5) 0.0445 1.0000 Uiso
H1171 h 0.474(1) 0.2594(9) 0.1350(7) 0.0812 1.0000 Uiso
H1172 h 0.508(1) 0.1944(9) 0.0404(7) 0.0812 1.0000 Uiso
H1173 h 0.367(1) 0.1558(9) 0.0430(7) 0.0812 1.0000 Uiso
H1221 h 0.2454(7) -0.4456(7) 0.3566(7) 0.0585 1.0000 Uiso
H1231 h 0.0506(8) -0.6000(8) 0.2719(7) 0.0703 1.0000 Uiso
H1241 h -0.0602(7) -0.5749(8) 0.1251(7) 0.0731 1.0000 Uiso
H1251 h 0.0136(8) -0.3855(8) 0.0785(7) 0.0682 1.0000 Uiso
H1261 h 0.1993(7) -0.2241(7) 0.1780(6) 0.0617 1.0000 Uiso
H1321 h 0.4410(7) -0.4004(7) 0.3944(7) 0.0628 1.0000 Uiso
H1331 h 0.5401(8) -0.5133(8) 0.3341(7) 0.0896 1.0000 Uiso
H1341 h 0.6441(8) -0.465(1) 0.2011(8) 0.0959 1.0000 Uiso
H1351 h 0.6565(8) -0.300(1) 0.1309(7) 0.0866 1.0000 Uiso
H1361 h 0.5653(7) -0.1800(8) 0.1956(6) 0.0552 1.0000 Uiso
H2131 h 0.4349(6) 0.2739(6) 0.4169(6) 0.0485 1.0000 Uiso
H2151 h 0.0917(7) 0.1660(7) 0.4648(7) 0.0643 1.0000 Uiso
H2161 h 0.0967(6) -0.0039(7) 0.5157(6) 0.0574 1.0000 Uiso
H2171 h 0.3424(9) 0.3890(8) 0.3851(9) 0.0876 1.0000 Uiso
H2172 h 0.2488(9) 0.3942(8) 0.4559(9) 0.0876 1.0000 Uiso
H2173 h 0.1966(9) 0.3138(8) 0.3392(9) 0.0876 1.0000 Uiso
H2221 h 0.0933(6) -0.3270(6) 0.5797(6) 0.0462 1.0000 Uiso
H2231 h -0.1034(6) -0.4757(7) 0.4955(7) 0.0586 1.0000 Uiso
H2241 h -0.1980(7) -0.4650(7) 0.3351(8) 0.0666 1.0000 Uiso
H2251 h -0.0946(7) -0.2996(8) 0.2594(7) 0.0671 1.0000 Uiso
H2261 h 0.1037(7) -0.1488(7) 0.3469(6) 0.0664 1.0000 Uiso
H2321 h 0.2819(7) -0.2284(7) 0.7075(6) 0.0528 1.0000 Uiso
H2331 h 0.2254(8) -0.2354(9) 0.8686(6) 0.0775 1.0000 Uiso
H2341 h 0.1585(9) -0.0982(12) 0.9366(7) 0.0830 1.0000 Uiso
H2351 h 0.1451(9) 0.045(1) 0.8473(8) 0.0864 1.0000 Uiso
H2361 h 0.2033(7) 0.0549(8) 0.6854(6) 0.0620 1.0000 Uiso
H21 h 0.2234(12) 0.0190(12) 0.2219(11) 0.1151 1.0000 Uiso
H22 h 0.1124(12) 0.0257(12) 0.2680(11) 0.1151 1.0000 Uiso
H11 h 0.7532(12) 0.4833(11) -0.116(1) 0.1026 1.0000 Uiso
H12 h 0.6280(12) 0.4867(11) -0.100(1) 0.1026 1.0000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
'C   ' 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 International_Tables_Vol_IV_Table_2.2B
'H   ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7997
0.0030 International_Tables_Vol_IV_Table_2.2B
'As  ' -0.0300 2.0070 16.6723 2.6345 6.0701 0.2647 3.4313 12.9479 4.2779
47.7972 2.5310 International_Tables_Vol_IV_Table_2.2B
'Cl  ' 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 International_Tables_Vol_IV_Table_2.2B
'Pt  ' -2.3520 8.3880 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837
38.6103 11.6883 International_Tables_Vol_IV_Table_2.2B
loop_
_diffrn_radiation_wavelength
0.71073
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.020
1 0 0 0.030
0 0 1 0.050
0 0 -1 0.040
1 -2 0 0.080
-1 2 0 0.080
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Pt1 2_656 Pt1 . As1 2_656 86.84(2) yes
Pt1 2_656 Pt1 . As2 2_656 86.649(19) yes
As1 2_656 Pt1 . As2 2_656 97.48(2) yes
Pt1 2_656 Pt1 . C112 . 96.17(18) yes
As1 2_656 Pt1 . C112 . 172.87(17) yes
As2 2_656 Pt1 . C112 . 89.16(17) yes
Pt1 2_656 Pt1 . C212 . 96.53(17) yes
As1 2_656 Pt1 . C212 . 87.81(18) yes
As2 2_656 Pt1 . C212 . 173.99(18) yes
C112 . Pt1 . C212 . 85.4(2) yes
Pt1 2_656 Pt1 . Cl1 . 166.78(4) yes
As1 2_656 Pt1 . Cl1 . 85.76(5) yes
As2 2_656 Pt1 . Cl1 . 83.47(4) yes
C112 . Pt1 . Cl1 . 92.46(18) yes
C212 . Pt1 . Cl1 . 94.13(17) yes
Pt1 2_656 As1 . C111 . 110.8(2) yes
Pt1 2_656 As1 . C121 . 123.0(2) yes
C111 . As1 . C121 . 103.2(3) yes
Pt1 2_656 As1 . C131 . 114.6(2) yes
C111 . As1 . C131 . 105.6(3) yes
C121 . As1 . C131 . 97.7(3) yes
Pt1 2_656 As2 . C211 . 110.86(18) yes
Pt1 2_656 As2 . C221 . 122.3(2) yes
C211 . As2 . C221 . 102.1(3) yes
Pt1 2_656 As2 . C231 . 115.3(2) yes
C211 . As2 . C231 . 106.6(3) yes
C221 . As2 . C231 . 97.8(3) yes
As1 . C111 . C112 . 118.6(5) yes
As1 . C111 . C116 . 120.2(5) yes
C112 . C111 . C116 . 121.0(7) yes
Pt1 . C112 . C111 . 126.1(5) yes
Pt1 . C112 . C113 . 117.7(5) yes
C111 . C112 . C113 . 116.1(6) yes
C112 . C113 . C114 . 123.6(7) yes
C112 . C113 . H1131 . 118.2(4) no
C114 . C113 . H1131 . 118.2(4) no
C113 . C114 . C115 . 119.2(7) yes
C113 . C114 . C117 . 121.3(7) yes
C115 . C114 . C117 . 119.6(7) yes
C114 . C115 . C116 . 119.5(7) yes
C114 . C115 . H1151 . 120.6(4) no
C116 . C115 . H1151 . 119.9(4) no
C111 . C116 . C115 . 120.6(7) yes
C111 . C116 . H1161 . 119.7(4) no
C115 . C116 . H1161 . 119.7(4) no
C114 . C117 . H1171 . 107.1(5) no
C114 . C117 . H1172 . 112.9(5) no
H1171 . C117 . H1172 . 109.476 no
C114 . C117 . H1173 . 108.3(5) no
H1171 . C117 . H1173 . 109.477 no
H1172 . C117 . H1173 . 109.476 no
As1 . C121 . C122 . 119.1(6) yes
As1 . C121 . C126 . 122.1(5) yes
C122 . C121 . C126 . 118.6(7) yes
C121 . C122 . C123 . 120.6(8) yes
C121 . C122 . H1221 . 119.5(4) no
C123 . C122 . H1221 . 119.9(6) no
C122 . C123 . C124 . 119.9(9) yes
C122 . C123 . H1231 . 119.8(6) no
C124 . C123 . H1231 . 120.3(5) no
C123 . C124 . C125 . 120.1(8) yes
C123 . C124 . H1241 . 119.9(5) no
C125 . C124 . H1241 . 120.0(5) no
C124 . C125 . C126 . 119.4(8) yes
C124 . C125 . H1251 . 120.4(5) no
C126 . C125 . H1251 . 120.2(5) no
C121 . C126 . C125 . 121.4(8) yes
C121 . C126 . H1261 . 118.0(4) no
C125 . C126 . H1261 . 120.6(5) no
As1 . C131 . C132 . 119.0(5) yes
As1 . C131 . C136 . 121.3(6) yes
C132 . C131 . C136 . 119.7(7) yes
C131 . C132 . C133 . 119.5(8) yes
C131 . C132 . H1321 . 119.4(4) no
C133 . C132 . H1321 . 121.0(6) no
C132 . C133 . C134 . 121.0(9) yes
C132 . C133 . H1331 . 120.0(6) no
C134 . C133 . H1331 . 119.0(6) no
C133 . C134 . C135 . 119.8(8) yes
C133 . C134 . H1341 . 121.0(6) no
C135 . C134 . H1341 . 119.2(5) no
C134 . C135 . C136 . 120.4(9) yes
C134 . C135 . H1351 . 120.5(5) no
C136 . C135 . H1351 . 119.1(6) no
C131 . C136 . C135 . 119.5(9) yes
C131 . C136 . H1361 . 119.2(5) no
C135 . C136 . H1361 . 121.2(6) no
As2 . C211 . C212 . 119.7(5) yes
As2 . C211 . C216 . 119.8(5) yes
C212 . C211 . C216 . 120.4(6) yes
Pt1 . C212 . C211 . 125.8(5) yes
Pt1 . C212 . C213 . 117.0(5) yes
C211 . C212 . C213 . 117.2(6) yes
C212 . C213 . C214 . 122.9(6) yes
C212 . C213 . H2131 . 119.1(4) no
C214 . C213 . H2131 . 118.0(4) no
C213 . C214 . C215 . 118.7(7) yes
C213 . C214 . C217 . 120.0(7) yes
C215 . C214 . C217 . 121.3(7) yes
C214 . C215 . C216 . 120.0(7) yes
C214 . C215 . H2151 . 120.2(4) no
C216 . C215 . H2151 . 119.8(4) no
C211 . C216 . C215 . 120.7(6) yes
C211 . C216 . H2161 . 119.3(4) no
C215 . C216 . H2161 . 120.1(4) no
C214 . C217 . H2171 . 108.2(4) no
C214 . C217 . H2172 . 112.1(5) no
H2171 . C217 . H2172 . 109.477 no
C214 . C217 . H2173 . 108.1(5) no
H2171 . C217 . H2173 . 109.475 no
H2172 . C217 . H2173 . 109.477 no
As2 . C221 . C222 . 120.6(5) yes
As2 . C221 . C226 . 120.2(5) yes
C222 . C221 . C226 . 119.2(7) yes
C221 . C222 . C223 . 120.0(8) yes
C221 . C222 . H2221 . 119.3(4) no
C223 . C222 . H2221 . 120.7(5) no
C222 . C223 . C224 . 120.4(8) yes
C222 . C223 . H2231 . 117.7(5) no
C224 . C223 . H2231 . 121.9(5) no
C223 . C224 . C225 . 120.3(7) yes
C223 . C224 . H2241 . 119.0(5) no
C225 . C224 . H2241 . 120.6(5) no
C224 . C225 . C226 . 119.4(8) yes
C224 . C225 . H2251 . 120.5(5) no
C226 . C225 . H2251 . 120.0(5) no
C221 . C226 . C225 . 120.7(8) yes
C221 . C226 . H2261 . 118.7(4) no
C225 . C226 . H2261 . 120.6(5) no
As2 . C231 . C232 . 119.5(6) yes
As2 . C231 . C236 . 120.7(6) yes
C232 . C231 . C236 . 119.7(7) yes
C231 . C232 . C233 . 120.9(8) yes
C231 . C232 . H2321 . 119.8(4) no
C233 . C232 . H2321 . 119.3(6) no
C232 . C233 . C234 . 119.0(9) yes
C232 . C233 . H2331 . 120.3(6) no
C234 . C233 . H2331 . 120.7(6) no
C233 . C234 . C235 . 121.5(8) yes
C233 . C234 . H2341 . 118.8(6) no
C235 . C234 . H2341 . 119.7(5) no
C234 . C235 . C236 . 119.7(9) yes
C234 . C235 . H2351 . 119.2(5) no
C236 . C235 . H2351 . 121.0(6) no
C231 . C236 . C235 . 119.2(9) yes
C231 . C236 . H2361 . 121.2(5) no
C235 . C236 . H2361 . 119.5(6) no
Cl2 . C1 . Cl3 . 112.8(7) yes
Cl2 . C1 . H11 . 108.4(5) no
Cl3 . C1 . H11 . 108.6(5) no
Cl2 . C1 . H12 . 108.7(5) no
Cl3 . C1 . H12 . 108.8(5) no
H11 . C1 . H12 . 109.467 no
Cl4 . C2 . Cl5 . 112.7(8) yes
Cl4 . C2 . H21 . 109.0(6) no
Cl5 . C2 . H21 . 108.4(5) no
Cl4 . C2 . H22 . 108.7(5) no
Cl5 . C2 . H22 . 108.5(6) no
H21 . C2 . H22 . 109.467 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 . Pt1 2_656 2.7444(5) yes
Pt1 . As1 2_656 2.4643(7) yes
Pt1 . As2 2_656 2.4701(7) yes
Pt1 . C112 . 2.102(7) yes
Pt1 . C212 . 2.125(6) yes
Pt1 . Cl1 . 2.4884(16) yes
As1 . C111 . 1.920(7) yes
As1 . C121 . 1.967(7) yes
As1 . C131 . 1.953(7) yes
As2 . C211 . 1.917(7) yes
As2 . C221 . 1.957(7) yes
As2 . C231 . 1.953(7) yes
C111 . C112 . 1.404(9) yes
C111 . C116 . 1.40(1) yes
C112 . C113 . 1.399(9) yes
C113 . C114 . 1.38(1) yes
C113 . H1131 . 1.000 no
C114 . C115 . 1.380(11) yes
C114 . C117 . 1.508(11) yes
C115 . C116 . 1.392(11) yes
C115 . H1151 . 1.000 no
C116 . H1161 . 1.000 no
C117 . H1171 . 1.000 no
C117 . H1172 . 1.000 no
C117 . H1173 . 1.000 no
C121 . C122 . 1.400(11) yes
C121 . C126 . 1.38(1) yes
C122 . C123 . 1.377(11) yes
C122 . H1221 . 1.000 no
C123 . C124 . 1.393(13) yes
C123 . H1231 . 1.000 no
C124 . C125 . 1.387(13) yes
C124 . H1241 . 1.000 no
C125 . C126 . 1.380(11) yes
C125 . H1251 . 1.000 no
C126 . H1261 . 1.000 no
C131 . C132 . 1.404(11) yes
C131 . C136 . 1.38(1) yes
C132 . C133 . 1.384(11) yes
C132 . H1321 . 1.000 no
C133 . C134 . 1.368(14) yes
C133 . H1331 . 1.000 no
C134 . C135 . 1.378(15) yes
C134 . H1341 . 1.000 no
C135 . C136 . 1.403(12) yes
C135 . H1351 . 1.000 no
C136 . H1361 . 1.000 no
C211 . C212 . 1.388(9) yes
C211 . C216 . 1.393(9) yes
C212 . C213 . 1.388(9) yes
C213 . C214 . 1.38(1) yes
C213 . H2131 . 1.000 no
C214 . C215 . 1.38(1) yes
C214 . C217 . 1.51(1) yes
C215 . C216 . 1.38(1) yes
C215 . H2151 . 1.000 no
C216 . H2161 . 1.000 no
C217 . H2171 . 1.000 no
C217 . H2172 . 1.000 no
C217 . H2173 . 1.000 no
C221 . C222 . 1.39(1) yes
C221 . C226 . 1.38(1) yes
C222 . C223 . 1.39(1) yes
C222 . H2221 . 1.000 no
C223 . C224 . 1.358(12) yes
C223 . H2231 . 1.000 no
C224 . C225 . 1.387(13) yes
C224 . H2241 . 1.000 no
C225 . C226 . 1.386(11) yes
C225 . H2251 . 1.000 no
C226 . H2261 . 1.000 no
C231 . C232 . 1.383(11) yes
C231 . C236 . 1.406(11) yes
C232 . C233 . 1.393(11) yes
C232 . H2321 . 1.000 no
C233 . C234 . 1.379(15) yes
C233 . H2331 . 1.000 no
C234 . C235 . 1.380(16) yes
C234 . H2341 . 1.000 no
C235 . C236 . 1.400(12) yes
C235 . H2351 . 1.000 no
C236 . H2361 . 1.000 no
C1 . Cl2 . 1.718(14) yes
C1 . Cl3 . 1.699(13) yes
C1 . H11 . 1.000 no
C1 . H12 . 1.000 no
C2 . Cl4 . 1.706(14) yes
C2 . Cl5 . 1.726(14) yes
C2 . H21 . 1.000 no
C2 . H22 . 1.000 no
