#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:01:49 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237403 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/82/4088233.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_4088233
loop_
_publ_author_name
'Imoto, Hiroaki'
'Tanaka, Susumu'
'Kato, Takuji'
'Watase, Seiji'
'Matsukawa, Kimihiro'
'Yumura, Takashi'
'Naka, Kensuke'
_publ_section_title
;
 Highly Efficient Solid-State Phosphorescence of Platinum Dihalide
 Complexes with 9-Phenyl-9-arsafluorene Ligands
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              364
_journal_paper_doi               10.1021/acs.organomet.5b00944
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C36.5 H27 As2 Br2 Cl Pt'
_chemical_formula_sum            'C36.5 H27 As2 Br2 Cl Pt'
_chemical_formula_weight         1005.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.9662(14)
_cell_angle_beta                 100.3116(12)
_cell_angle_gamma                97.5634(11)
_cell_formula_units_Z            2
_cell_length_a                   8.9649(2)
_cell_length_b                   9.8619(3)
_cell_length_c                   19.2946(6)
_cell_measurement_reflns_used    11995
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.04
_cell_volume                     1645.25(8)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16691
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         3.035
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.786
_exptl_absorpt_correction_T_max  0.268
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             954.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.63
_refine_diff_density_min         -1.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0398P)²+7.1340P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                5366
_reflns_number_total             7490
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om5b00944_si_003.cif
_cod_data_source_block           PtBr2-CH2Cl2
_cod_original_cell_volume        1645.25(9)
_cod_database_code               4088233
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.04421(3) 0.44143(3) 0.26852(2) 0.03184(9) Uani 1 2 d .
Br1 Br 0.13332(10) 0.58907(8) 0.38233(4) 0.0493(2) Uani 1 2 d .
Br2 Br -0.04880(10) 0.29204(8) 0.15474(4) 0.0516(2) Uani 1 2 d .
As1 As -0.06865(8) 0.27715(7) 0.33352(4) 0.03221(16) Uani 1 2 d .
As2 As 0.16144(8) 0.60508(7) 0.20448(4) 0.03195(16) Uani 1 2 d .
Cl3 Cl -0.58846 0.97025 0.05445 0.224(3) Uiso 1 2 d .
C1 C -0.1422(8) 0.0883(7) 0.2915(4) 0.0368(15) Uani 1 2 d .
C2 C -0.2535(10) 0.0379(8) 0.2321(4) 0.0489(19) Uani 1 2 d .
C3 C -0.2935(10) -0.1058(9) 0.2108(5) 0.058(2) Uani 1 2 d .
C4 C -0.2193(12) -0.1936(9) 0.2492(5) 0.064(2) Uani 1 2 d .
C5 C -0.1061(10) -0.1436(8) 0.3094(5) 0.0500(19) Uani 1 2 d .
C6 C -0.0657(9) -0.0006(7) 0.3317(4) 0.0413(17) Uani 1 2 d .
C7 C 0.0460(8) 0.0668(7) 0.3956(4) 0.0368(15) Uani 1 2 d .
C8 C 0.1325(9) -0.0010(9) 0.4432(5) 0.054(2) Uani 1 2 d .
C9 C 0.2237(10) 0.0754(10) 0.5051(5) 0.059(2) Uani 1 2 d .
C10 C 0.2301(10) 0.2138(10) 0.5203(5) 0.061(2) Uani 1 2 d .
C11 C 0.1461(9) 0.2848(8) 0.4722(4) 0.0456(18) Uani 1 2 d .
C12 C 0.0561(8) 0.2106(7) 0.4105(4) 0.0364(15) Uani 1 2 d .
C13 C -0.2395(8) 0.3373(7) 0.3695(4) 0.0361(15) Uani 1 2 d .
C14 C -0.2871(9) 0.2852(9) 0.4269(4) 0.0494(19) Uani 1 2 d .
C15 C -0.4174(10) 0.3246(10) 0.4489(5) 0.061(2) Uani 1 2 d .
C16 C -0.4987(10) 0.4111(10) 0.4140(5) 0.060(2) Uani 1 2 d .
C17 C -0.4508(10) 0.4632(10) 0.3581(5) 0.064(3) Uani 1 2 d .
C18 C -0.3208(9) 0.4275(8) 0.3352(5) 0.051(2) Uani 1 2 d .
C19 C 0.0417(8) 0.6793(7) 0.1282(4) 0.0343(15) Uani 1 2 d .
C20 C -0.0594(8) 0.6069(9) 0.0692(4) 0.0448(18) Uani 1 2 d .
C21 C -0.1311(10) 0.6814(10) 0.0195(5) 0.058(2) Uani 1 2 d .
C22 C -0.1038(11) 0.8240(11) 0.0312(5) 0.066(3) Uani 1 2 d .
C23 C -0.0030(10) 0.8958(9) 0.0909(5) 0.057(2) Uani 1 2 d .
C24 C 0.0731(8) 0.8237(7) 0.1411(4) 0.0401(17) Uani 1 2 d .
C25 C 0.1851(9) 0.8862(7) 0.2048(4) 0.0409(16) Uani 1 2 d .
C26 C 0.2381(11) 1.0276(8) 0.2275(5) 0.061(2) Uani 1 2 d .
C27 C 0.3481(12) 1.0722(9) 0.2876(5) 0.068(3) Uani 1 2 d .
C28 C 0.4112(11) 0.9786(9) 0.3272(5) 0.062(2) Uani 1 2 d .
C29 C 0.3613(10) 0.8375(9) 0.3074(5) 0.052(2) Uani 1 2 d .
C30 C 0.2499(8) 0.7922(7) 0.2463(4) 0.0380(15) Uani 1 2 d .
C31 C 0.3227(8) 0.5360(7) 0.1631(4) 0.0375(15) Uani 1 2 d .
C32 C 0.3967(9) 0.6138(9) 0.1200(5) 0.054(2) Uani 1 2 d .
C33 C 0.5152(10) 0.5688(10) 0.0918(6) 0.066(3) Uani 1 2 d .
C34 C 0.5624(11) 0.4482(13) 0.1085(6) 0.078(3) Uani 1 2 d .
C35 C 0.4909(12) 0.3711(12) 0.1499(6) 0.078(3) Uani 1 2 d .
C36 C 0.3693(10) 0.4136(9) 0.1778(5) 0.056(2) Uani 1 2 d .
C37 C -0.4094 1.0244 0.0483 0.24(2) Uiso 0.5 2 d .
H2 H -0.30235 0.09845 0.20592 0.0587 Uiso 1 2 calc R
H3 H -0.36994 -0.14086 0.17093 0.0695 Uiso 1 2 calc R
H4 H -0.24508 -0.28853 0.23471 0.0773 Uiso 1 2 calc R
H5 H -0.05707 -0.20491 0.33492 0.0600 Uiso 1 2 calc R
H8 H 0.12953 -0.09622 0.43392 0.0642 Uiso 1 2 calc R
H9 H 0.28191 0.02998 0.53697 0.0712 Uiso 1 2 calc R
H10 H 0.29041 0.26187 0.5626 0.0726 Uiso 1 2 calc R
H11 H 0.15103 0.38022 0.48186 0.0547 Uiso 1 2 calc R
H14 H -0.23274 0.22466 0.45055 0.0593 Uiso 1 2 calc R
H15 H -0.44878 0.29118 0.4879 0.0730 Uiso 1 2 calc R
H16 H -0.58683 0.43471 0.42826 0.0716 Uiso 1 2 calc R
H17 H -0.50604 0.52367 0.33481 0.0769 Uiso 1 2 calc R
H18 H -0.2889 0.46414 0.29707 0.0612 Uiso 1 2 calc R
H20 H -0.07944 0.51079 0.06261 0.0538 Uiso 1 2 calc R
H21 H -0.19748 0.63472 -0.02155 0.0691 Uiso 1 2 calc R
H22 H -0.15419 0.87258 -0.00166 0.0789 Uiso 1 2 calc R
H23 H 0.01444 0.99199 0.09777 0.0678 Uiso 1 2 calc R
H26 H 0.1977 1.09201 0.20121 0.0730 Uiso 1 2 calc R
H27 H 0.38098 1.16656 0.30198 0.0816 Uiso 1 2 calc R
H28 H 0.48774 1.01038 0.36739 0.0746 Uiso 1 2 calc R
H29 H 0.4019 0.77455 0.33469 0.0620 Uiso 1 2 calc R
H32 H 0.3657 0.69698 0.11015 0.0642 Uiso 1 2 calc R
H33 H 0.5624 0.61954 0.06191 0.0797 Uiso 1 2 calc R
H34 H 0.64487 0.41879 0.09101 0.0938 Uiso 1 2 calc R
H35 H 0.52359 0.28866 0.15989 0.0933 Uiso 1 2 calc R
H36 H 0.32009 0.35987 0.20596 0.0674 Uiso 1 2 calc R
H37A H -0.3425 0.96144 0.06624 0.2886 Uiso 0.5 2 calc R
H37B H -0.37315 1.1157 0.07563 0.2886 Uiso 0.5 2 calc R
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
As As 0.0499 2.0058
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Br Br -0.2901 2.4595
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Br1 Pt1 Br2 179.16(3) yes . .
Br1 Pt1 As1 86.25(3) yes . .
Br1 Pt1 As2 93.39(3) yes . .
Br2 Pt1 As1 93.09(3) yes . .
Br2 Pt1 As2 87.28(3) yes . .
As1 Pt1 As2 179.00(3) yes . .
Pt1 As1 C1 121.5(2) yes . .
Pt1 As1 C12 120.6(2) yes . .
Pt1 As1 C13 112.0(2) yes . .
C1 As1 C12 88.4(3) yes . .
C1 As1 C13 104.2(3) yes . .
C12 As1 C13 106.8(3) yes . .
Pt1 As2 C19 121.6(2) yes . .
Pt1 As2 C30 123.3(2) yes . .
Pt1 As2 C31 111.8(2) yes . .
C19 As2 C30 88.2(3) yes . .
C19 As2 C31 104.5(3) yes . .
C30 As2 C31 103.8(3) yes . .
C37 Cl3 C37 73.7103(13) yes . 2_475
As1 C1 C2 128.5(6) yes . .
As1 C1 C6 110.0(5) yes . .
C2 C1 C6 121.4(6) yes . .
C1 C2 C3 119.7(8) yes . .
C2 C3 C4 119.5(7) yes . .
C3 C4 C5 121.3(8) yes . .
C4 C5 C6 119.9(8) yes . .
C1 C6 C5 118.2(6) yes . .
C1 C6 C7 115.7(6) yes . .
C5 C6 C7 126.0(7) yes . .
C6 C7 C8 125.4(7) yes . .
C6 C7 C12 115.6(6) yes . .
C8 C7 C12 119.0(6) yes . .
C7 C8 C9 119.0(8) yes . .
C8 C9 C10 121.9(9) yes . .
C9 C10 C11 120.1(7) yes . .
C10 C11 C12 118.7(7) yes . .
As1 C12 C7 109.9(5) yes . .
As1 C12 C11 128.8(6) yes . .
C7 C12 C11 121.4(7) yes . .
As1 C13 C14 120.8(6) yes . .
As1 C13 C18 119.4(6) yes . .
C14 C13 C18 119.7(7) yes . .
C13 C14 C15 119.4(8) yes . .
C14 C15 C16 120.7(9) yes . .
C15 C16 C17 119.8(9) yes . .
C16 C17 C18 121.1(9) yes . .
C13 C18 C17 119.4(8) yes . .
As2 C19 C20 127.7(6) yes . .
As2 C19 C24 109.5(4) yes . .
C20 C19 C24 122.9(7) yes . .
C19 C20 C21 118.3(7) yes . .
C20 C21 C22 120.1(7) yes . .
C21 C22 C23 121.2(9) yes . .
C22 C23 C24 120.0(8) yes . .
C19 C24 C23 117.5(6) yes . .
C19 C24 C25 116.9(7) yes . .
C23 C24 C25 125.6(7) yes . .
C24 C25 C26 127.1(7) yes . .
C24 C25 C30 115.3(6) yes . .
C26 C25 C30 117.5(7) yes . .
C25 C26 C27 121.0(8) yes . .
C26 C27 C28 120.6(8) yes . .
C27 C28 C29 120.6(8) yes . .
C28 C29 C30 118.8(8) yes . .
As2 C30 C25 110.1(4) yes . .
As2 C30 C29 128.5(6) yes . .
C25 C30 C29 121.4(6) yes . .
As2 C31 C32 119.6(6) yes . .
As2 C31 C36 120.9(6) yes . .
C32 C31 C36 119.5(8) yes . .
C31 C32 C33 120.6(9) yes . .
C32 C33 C34 119.0(10) yes . .
C33 C34 C35 120.9(11) yes . .
C34 C35 C36 120.9(11) yes . .
C31 C36 C35 119.1(9) yes . .
Cl3 C37 Cl3 106.2897(13) yes . 2_475
C1 C2 H2 120.158 no . .
C3 C2 H2 120.166 no . .
C2 C3 H3 120.238 no . .
C4 C3 H3 120.234 no . .
C3 C4 H4 119.368 no . .
C5 C4 H4 119.352 no . .
C4 C5 H5 120.062 no . .
C6 C5 H5 120.056 no . .
C7 C8 H8 120.489 no . .
C9 C8 H8 120.498 no . .
C8 C9 H9 119.037 no . .
C10 C9 H9 119.044 no . .
C9 C10 H10 119.976 no . .
C11 C10 H10 119.973 no . .
C10 C11 H11 120.674 no . .
C12 C11 H11 120.668 no . .
C13 C14 H14 120.318 no . .
C15 C14 H14 120.330 no . .
C14 C15 H15 119.656 no . .
C16 C15 H15 119.647 no . .
C15 C16 H16 120.087 no . .
C17 C16 H16 120.091 no . .
C16 C17 H17 119.469 no . .
C18 C17 H17 119.457 no . .
C13 C18 H18 120.327 no . .
C17 C18 H18 120.321 no . .
C19 C20 H20 120.846 no . .
C21 C20 H20 120.847 no . .
C20 C21 H21 119.927 no . .
C22 C21 H21 119.940 no . .
C21 C22 H22 119.421 no . .
C23 C22 H22 119.417 no . .
C22 C23 H23 120.003 no . .
C24 C23 H23 119.994 no . .
C25 C26 H26 119.491 no . .
C27 C26 H26 119.488 no . .
C26 C27 H27 119.689 no . .
C28 C27 H27 119.689 no . .
C27 C28 H28 119.717 no . .
C29 C28 H28 119.724 no . .
C28 C29 H29 120.594 no . .
C30 C29 H29 120.606 no . .
C31 C32 H32 119.694 no . .
C33 C32 H32 119.687 no . .
C32 C33 H33 120.482 no . .
C34 C33 H33 120.487 no . .
C33 C34 H34 119.546 no . .
C35 C34 H34 119.546 no . .
C34 C35 H35 119.564 no . .
C36 C35 H35 119.578 no . .
C31 C36 H36 120.463 no . .
C35 C36 H36 120.465 no . .
Cl3 C37 H37A 110.476 no . .
Cl3 C37 H37B 110.476 no . .
Cl3 C37 H37A 110.467 no 2_475 .
Cl3 C37 H37B 110.473 no 2_475 .
H37A C37 H37B 108.657 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt1 Br1 2.4229(8) yes .
Pt1 Br2 2.4335(8) yes .
Pt1 As1 2.3952(8) yes .
Pt1 As2 2.3954(8) yes .
As1 C1 1.918(6) yes .
As1 C12 1.929(7) yes .
As1 C13 1.924(7) yes .
As2 C19 1.938(7) yes .
As2 C30 1.926(6) yes .
As2 C31 1.932(8) yes .
Cl3 C37 1.65348(4) yes .
Cl3 C37 1.98634(7) yes 2_475
C1 C2 1.371(10) yes .
C1 C6 1.405(11) yes .
C2 C3 1.406(11) yes .
C3 C4 1.369(14) yes .
C4 C5 1.389(12) yes .
C5 C6 1.403(10) yes .
C6 C7 1.466(9) yes .
C7 C8 1.387(12) yes .
C7 C12 1.401(10) yes .
C8 C9 1.389(11) yes .
C9 C10 1.352(14) yes .
C10 C11 1.402(13) yes .
C11 C12 1.377(9) yes .
C13 C14 1.386(12) yes .
C13 C18 1.379(11) yes .
C14 C15 1.398(13) yes .
C15 C16 1.355(14) yes .
C16 C17 1.363(15) yes .
C17 C18 1.390(14) yes .
C19 C20 1.375(9) yes .
C19 C24 1.398(10) yes .
C20 C21 1.395(13) yes .
C21 C22 1.379(14) yes .
C22 C23 1.380(11) yes .
C23 C24 1.403(12) yes .
C24 C25 1.452(9) yes .
C25 C26 1.402(10) yes .
C25 C30 1.412(11) yes .
C26 C27 1.365(13) yes .
C27 C28 1.382(14) yes .
C28 C29 1.389(12) yes .
C29 C30 1.386(10) yes .
C31 C32 1.393(12) yes .
C31 C36 1.372(12) yes .
C32 C33 1.376(14) yes .
C33 C34 1.369(17) yes .
C34 C35 1.354(17) yes .
C35 C36 1.388(15) yes .
C2 H2 0.930 no .
C3 H3 0.930 no .
C4 H4 0.930 no .
C5 H5 0.930 no .
C8 H8 0.930 no .
C9 H9 0.930 no .
C10 H10 0.930 no .
C11 H11 0.930 no .
C14 H14 0.930 no .
C15 H15 0.930 no .
C16 H16 0.930 no .
C17 H17 0.930 no .
C18 H18 0.930 no .
C20 H20 0.930 no .
C21 H21 0.930 no .
C22 H22 0.930 no .
C23 H23 0.930 no .
C26 H26 0.930 no .
C27 H27 0.930 no .
C28 H28 0.930 no .
C29 H29 0.930 no .
C32 H32 0.930 no .
C33 H33 0.930 no .
C34 H34 0.930 no .
C35 H35 0.930 no .
C36 H36 0.930 no .
C37 H37A 0.970 no .
C37 H37B 0.970 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Br1 C29 3.587(9) no .
Br2 C2 3.543(9) no .
C1 C4 2.759(10) no .
C1 C14 3.596(12) no .
C2 C5 2.783(12) no .
C3 C6 2.799(10) no .
C5 C8 3.093(11) no .
C7 C10 2.778(10) no .
C8 C11 2.789(12) no .
C9 C12 2.739(12) no .
C12 C14 3.316(11) no .
C13 C16 2.770(12) no .
C14 C17 2.747(13) no .
C15 C18 2.755(14) no .
C19 C22 2.739(12) no .
C19 C32 3.356(11) no .
C20 C23 2.793(12) no .
C21 C24 2.795(10) no .
C23 C26 3.115(12) no .
C25 C28 2.791(11) no .
C26 C29 2.784(13) no .
C27 C30 2.760(11) no .
C30 C32 3.388(12) no .
C31 C34 2.750(14) no .
C32 C35 2.733(15) no .
C33 C36 2.769(14) no .
C2 C37 3.550(8) no 1_545
C3 C37 3.566(9) no 1_545
C5 C25 3.578(13) no 1_545
C7 C9 3.592(12) no 2_556
C8 C8 3.508(13) no 2_556
C8 C9 3.525(13) no 2_556
C9 C7 3.592(12) no 2_556
C9 C8 3.525(13) no 2_556
C16 C16 3.565(14) no 2_466
C17 C36 3.509(13) no 1_455
C25 C5 3.578(13) no 1_565
C33 C33 3.586(15) no 2_665
C36 C17 3.509(13) no 1_655
C37 C2 3.550(8) no 1_565
C37 C3 3.566(9) no 1_565
Pt1 H18 3.1633 no .
Pt1 H36 3.0948 no .
Br1 H11 2.9819 no .
Br1 H29 3.1669 no .
Br2 H2 3.1473 no .
Br2 H20 2.9666 no .
Br2 H36 3.2323 no .
As1 H2 3.1122 no .
As1 H11 3.1390 no .
As1 H14 2.9670 no .
As1 H18 2.9274 no .
As2 H20 3.1239 no .
As2 H29 3.1379 no .
As2 H32 2.9400 no .
As2 H36 2.9630 no .
C1 H3 3.2398 no .
C1 H5 3.2539 no .
C1 H14 3.4733 no .
C2 H4 3.2366 no .
C3 H5 3.2376 no .
C4 H2 3.2360 no .
C5 H3 3.2417 no .
C5 H8 2.8463 no .
C6 H2 3.2585 no .
C6 H4 3.2528 no .
C6 H8 2.7378 no .
C7 H5 2.7572 no .
C7 H9 3.2284 no .
C7 H11 3.2616 no .
C7 H14 3.3712 no .
C8 H5 2.8475 no .
C8 H10 3.2324 no .
C9 H11 3.2251 no .
C10 H8 3.2306 no .
C11 H9 3.2224 no .
C11 H14 3.3110 no .
C12 H8 3.2472 no .
C12 H10 3.2304 no .
C12 H14 2.8474 no .
C13 H15 3.2412 no .
C13 H17 3.2276 no .
C14 H16 3.2335 no .
C14 H18 3.2334 no .
C15 H17 3.1881 no .
C16 H14 3.2289 no .
C16 H18 3.2328 no .
C17 H15 3.1901 no .
C18 H14 3.2325 no .
C18 H16 3.2353 no .
C19 H21 3.2200 no .
C19 H23 3.2409 no .
C19 H32 2.9719 no .
C20 H22 3.2398 no .
C21 H23 3.2382 no .
C22 H20 3.2460 no .
C23 H21 3.2378 no .
C23 H26 2.8683 no .
C24 H20 3.2715 no .
C24 H22 3.2474 no .
C24 H26 2.7580 no .
C24 H32 3.1690 no .
C25 H23 2.7399 no .
C25 H27 3.2449 no .
C25 H29 3.2799 no .
C25 H32 3.2350 no .
C26 H23 2.8661 no .
C26 H28 3.2204 no .
C27 H29 3.2468 no .
C28 H26 3.2216 no .
C29 H27 3.2423 no .
C30 H26 3.2502 no .
C30 H28 3.2288 no .
C30 H32 3.0812 no .
C31 H33 3.2465 no .
C31 H35 3.2179 no .
C32 H34 3.2052 no .
C32 H36 3.2336 no .
C33 H35 3.2034 no .
C34 H32 3.2050 no .
C34 H36 3.2220 no .
C35 H33 3.2067 no .
C36 H32 3.2261 no .
C36 H34 3.2215 no .
C37 H37A 2.8718 no 2_475
C37 H37B 2.8719 no 2_475
H2 H3 2.3417 no .
H3 H4 2.2932 no .
H4 H5 2.3108 no .
H5 H8 2.3417 no .
H8 H9 2.3126 no .
H9 H10 2.2686 no .
H10 H11 2.3406 no .
H11 H14 3.4924 no .
H14 H15 2.3281 no .
H15 H16 2.2816 no .
H16 H17 2.2868 no .
H17 H18 2.3171 no .
H20 H21 2.3360 no .
H21 H22 2.2998 no .
H22 H23 2.3017 no .
H23 H26 2.3617 no .
H26 H27 2.2830 no .
H27 H28 2.3040 no .
H28 H29 2.3235 no .
H32 H33 2.3084 no .
H33 H34 2.2995 no .
H34 H35 2.2714 no .
H35 H36 2.3190 no .
H37A H37B 3.3251 no 2_475
Br1 H5 2.9467 no 1_565
Br1 H8 3.1488 no 1_565
Br1 H14 3.4161 no 2_566
Br1 H15 3.3956 no 2_566
Br1 H16 3.1517 no 1_655
Br2 H23 3.1877 no 1_545
Br2 H26 3.2320 no 1_545
Br2 H34 3.2686 no 1_455
Br2 H37B 3.2008 no 1_545
Cl3 H2 3.5050 no 1_565
Cl3 H3 3.1106 no 1_565
Cl3 H22 3.0407 no 2_475
Cl3 H32 3.0259 no 1_455
Cl3 H35 3.4492 no 1_465
C2 H37A 3.1278 no 1_545
C2 H37B 3.2352 no 1_545
C3 H32 3.5047 no 1_445
C3 H37A 2.9151 no 1_545
C5 H10 3.4412 no 2_556
C6 H9 3.4719 no 2_556
C7 H9 3.4894 no 2_556
C8 H14 3.2908 no 2_556
C9 H8 3.5916 no 2_556
C9 H14 3.1854 no 2_556
C9 H15 3.4839 no 1_655
C9 H28 3.5021 no 2_666
C10 H5 3.4349 no 2_556
C10 H8 3.5788 no 2_556
C10 H15 3.0722 no 1_655
C10 H16 3.4103 no 1_655
C11 H15 3.5816 no 1_655
C11 H16 2.9556 no 1_655
C12 H16 3.5789 no 1_655
C13 H27 3.5327 no 1_445
C14 H9 3.2714 no 2_556
C14 H11 3.4979 no 2_566
C14 H27 3.4449 no 1_445
C14 H28 3.1170 no 1_445
C15 H11 3.4707 no 2_566
C15 H16 3.1352 no 2_466
C15 H27 3.1758 no 1_445
C15 H28 3.2322 no 1_445
C16 H10 3.4429 no 2_566
C16 H15 3.4293 no 2_466
C16 H16 3.1456 no 2_466
C16 H27 2.9780 no 1_445
C17 H10 2.9900 no 2_566
C17 H27 3.0807 no 1_445
C17 H29 3.5446 no 1_455
C17 H36 3.2305 no 1_455
C18 H10 3.3868 no 2_566
C18 H27 3.3702 no 1_445
C18 H35 3.4560 no 1_455
C19 H4 3.5889 no 1_565
C20 H20 3.1882 no 2_565
C20 H33 3.3876 no 1_455
C20 H34 3.1530 no 1_455
C21 H20 3.3092 no 2_565
C21 H33 3.0123 no 1_455
C22 H23 3.3998 no 2_575
C22 H33 3.5644 no 1_455
C22 H37A 2.8165 no .
C23 H22 3.3379 no 2_575
C23 H37A 3.1595 no .
C26 H36 3.3548 no 1_565
C27 H36 3.4230 no 1_565
C28 H8 3.5923 no 1_565
C28 H9 3.4613 no 2_666
C29 H8 3.5342 no 1_565
C29 H17 3.5231 no 1_655
C30 H5 3.4918 no 1_565
C31 H17 3.4158 no 1_655
C31 H21 2.9744 no 2_565
C32 H3 2.9243 no 1_665
C32 H4 3.5021 no 1_665
C32 H21 3.0510 no 2_565
C33 H3 3.0317 no 1_665
C33 H4 3.2160 no 1_665
C33 H21 3.2295 no 2_565
C33 H33 3.2119 no 2_665
C33 H34 3.5856 no 2_665
C34 H4 3.3816 no 1_665
C34 H20 3.4782 no 1_655
C34 H21 3.3442 no 2_565
C34 H33 3.2337 no 2_665
C34 H37B 3.4076 no 1_645
C35 H18 3.1119 no 1_655
C35 H21 3.2635 no 2_565
C35 H37B 3.2317 no 1_645
C36 H17 3.0460 no 1_655
C36 H18 3.4250 no 1_655
C36 H21 3.0793 no 2_565
C36 H26 3.4555 no 1_545
C37 H2 2.9892 no 1_565
C37 H3 3.0277 no 1_565
C37 H22 3.1220 no .
C37 H35 3.3619 no 1_465
H2 Cl3 3.5050 no 1_545
H2 C37 2.9892 no 1_545
H2 H35 2.7241 no 1_455
H2 H37A 2.8036 no 1_545
H2 H37B 2.5124 no 1_545
H3 Cl3 3.1106 no 1_545
H3 C32 2.9243 no 1_445
H3 C33 3.0317 no 1_445
H3 C37 3.0277 no 1_545
H3 H32 2.6649 no 1_445
H3 H33 2.8873 no 1_445
H3 H37A 2.4011 no 1_545
H3 H37B 3.3034 no 1_545
H4 C19 3.5889 no 1_545
H4 C32 3.5021 no 1_445
H4 C33 3.2160 no 1_445
H4 C34 3.3816 no 1_445
H4 H18 2.8601 no 1_545
H4 H33 3.4222 no 1_445
H5 Br1 2.9467 no 1_545
H5 C10 3.4349 no 2_556
H5 C30 3.4918 no 1_545
H5 H10 3.1689 no 2_556
H5 H18 3.5494 no 1_545
H8 Br1 3.1488 no 1_545
H8 C9 3.5916 no 2_556
H8 C10 3.5788 no 2_556
H8 C28 3.5923 no 1_545
H8 C29 3.5342 no 1_545
H8 H14 2.7721 no 2_556
H9 C6 3.4719 no 2_556
H9 C7 3.4894 no 2_556
H9 C14 3.2714 no 2_556
H9 C28 3.4613 no 2_666
H9 H14 2.5401 no 2_556
H9 H28 2.6189 no 2_666
H9 H29 3.5740 no 2_666
H10 C5 3.4412 no 2_556
H10 C16 3.4429 no 2_566
H10 C17 2.9900 no 2_566
H10 C18 3.3868 no 2_566
H10 H5 3.1689 no 2_556
H10 H15 2.9593 no 1_655
H10 H16 3.5262 no 1_655
H10 H17 2.9439 no 2_566
H10 H18 3.5890 no 2_566
H10 H29 3.1846 no 2_666
H11 C14 3.4979 no 2_566
H11 C15 3.4707 no 2_566
H11 H16 2.7484 no 1_655
H14 Br1 3.4161 no 2_566
H14 C8 3.2908 no 2_556
H14 C9 3.1854 no 2_556
H14 H8 2.7721 no 2_556
H14 H9 2.5401 no 2_556
H14 H28 3.1086 no 1_445
H15 Br1 3.3956 no 2_566
H15 C9 3.4839 no 1_455
H15 C10 3.0722 no 1_455
H15 C11 3.5816 no 1_455
H15 C16 3.4293 no 2_466
H15 H10 2.9593 no 1_455
H15 H16 2.9246 no 2_466
H15 H28 3.3089 no 1_445
H15 H29 3.5226 no 2_566
H16 Br1 3.1517 no 1_455
H16 C10 3.4103 no 1_455
H16 C11 2.9556 no 1_455
H16 C12 3.5789 no 1_455
H16 C15 3.1352 no 2_466
H16 C16 3.1456 no 2_466
H16 H10 3.5262 no 1_455
H16 H11 2.7484 no 1_455
H16 H15 2.9246 no 2_466
H16 H16 2.9683 no 2_466
H16 H27 3.3163 no 1_445
H17 C29 3.5231 no 1_455
H17 C31 3.4158 no 1_455
H17 C36 3.0460 no 1_455
H17 H10 2.9439 no 2_566
H17 H27 3.4814 no 1_445
H17 H29 2.7094 no 1_455
H17 H36 2.8628 no 1_455
H18 C35 3.1119 no 1_455
H18 C36 3.4250 no 1_455
H18 H4 2.8601 no 1_565
H18 H5 3.5494 no 1_565
H18 H10 3.5890 no 2_566
H18 H35 3.0589 no 1_455
H18 H36 3.5835 no 1_455
H20 C20 3.1882 no 2_565
H20 C21 3.3092 no 2_565
H20 C34 3.4782 no 1_455
H20 H20 3.0164 no 2_565
H20 H21 3.1963 no 2_565
H20 H33 3.5149 no 1_455
H20 H34 2.6920 no 1_455
H21 C31 2.9744 no 2_565
H21 C32 3.0510 no 2_565
H21 C33 3.2295 no 2_565
H21 C34 3.3442 no 2_565
H21 C35 3.2635 no 2_565
H21 C36 3.0793 no 2_565
H21 H20 3.1963 no 2_565
H21 H32 3.5099 no 2_565
H21 H33 2.9093 no 1_455
H21 H34 3.5605 no 1_455
H21 H36 3.5401 no 2_565
H22 Cl3 3.0407 no 2_475
H22 C23 3.3379 no 2_575
H22 C37 3.1220 no .
H22 H22 3.4687 no 2_575
H22 H23 2.7900 no 2_575
H22 H37A 2.4974 no .
H23 Br2 3.1877 no 1_565
H23 C22 3.3998 no 2_575
H23 H22 2.7900 no 2_575
H23 H37A 3.1153 no .
H26 Br2 3.2320 no 1_565
H26 C36 3.4555 no 1_565
H26 H35 3.5566 no 1_565
H26 H36 2.7079 no 1_565
H27 C13 3.5327 no 1_665
H27 C14 3.4449 no 1_665
H27 C15 3.1758 no 1_665
H27 C16 2.9780 no 1_665
H27 C17 3.0807 no 1_665
H27 C18 3.3702 no 1_665
H27 H16 3.3163 no 1_665
H27 H17 3.4814 no 1_665
H27 H35 3.5001 no 1_565
H27 H36 2.8519 no 1_565
H28 C9 3.5021 no 2_666
H28 C14 3.1170 no 1_665
H28 C15 3.2322 no 1_665
H28 H9 2.6189 no 2_666
H28 H14 3.1086 no 1_665
H28 H15 3.3089 no 1_665
H29 C17 3.5446 no 1_655
H29 H9 3.5740 no 2_666
H29 H10 3.1846 no 2_666
H29 H15 3.5226 no 2_566
H29 H17 2.7094 no 1_655
H32 Cl3 3.0259 no 1_655
H32 C3 3.5047 no 1_665
H32 H3 2.6649 no 1_665
H32 H21 3.5099 no 2_565
H33 C20 3.3876 no 1_655
H33 C21 3.0123 no 1_655
H33 C22 3.5644 no 1_655
H33 C33 3.2119 no 2_665
H33 C34 3.2337 no 2_665
H33 H3 2.8873 no 1_665
H33 H4 3.4222 no 1_665
H33 H20 3.5149 no 1_655
H33 H21 2.9093 no 1_655
H33 H33 3.0823 no 2_665
H33 H34 3.1437 no 2_665
H33 H37A 3.3544 no 1_655
H34 Br2 3.2686 no 1_655
H34 C20 3.1530 no 1_655
H34 C33 3.5856 no 2_665
H34 H20 2.6920 no 1_655
H34 H21 3.5605 no 1_655
H34 H33 3.1437 no 2_665
H34 H37B 2.9477 no 1_645
H35 Cl3 3.4492 no 1_645
H35 C18 3.4560 no 1_655
H35 C37 3.3619 no 1_645
H35 H2 2.7241 no 1_655
H35 H18 3.0589 no 1_655
H35 H26 3.5566 no 1_545
H35 H27 3.5001 no 1_545
H35 H37B 2.5868 no 1_645
H36 C17 3.2305 no 1_655
H36 C26 3.3548 no 1_545
H36 C27 3.4230 no 1_545
H36 H17 2.8628 no 1_655
H36 H18 3.5835 no 1_655
H36 H21 3.5401 no 2_565
H36 H26 2.7079 no 1_545
H36 H27 2.8519 no 1_545
H37A C2 3.1278 no 1_565
H37A C3 2.9151 no 1_565
H37A C22 2.8165 no .
H37A C23 3.1595 no .
H37A H2 2.8036 no 1_565
H37A H3 2.4011 no 1_565
H37A H22 2.4974 no .
H37A H23 3.1153 no .
H37A H33 3.3544 no 1_455
H37B Br2 3.2008 no 1_565
H37B C2 3.2352 no 1_565
H37B C34 3.4076 no 1_465
H37B C35 3.2317 no 1_465
H37B H2 2.5124 no 1_565
H37B H3 3.3034 no 1_565
H37B H34 2.9477 no 1_465
H37B H35 2.5868 no 1_465
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Pt1 As1 C1 C2 -59.7(7) no . . .
Pt1 As1 C1 C6 121.2(4) no . . .
Pt1 As1 C12 C7 -120.3(3) no . . .
Pt1 As1 C12 C11 59.2(7) no . . .
Pt1 As1 C13 C14 -157.8(3) no . . .
Pt1 As1 C13 C18 25.8(5) no . . .
C1 As1 C12 C7 6.0(5) no . . .
C1 As1 C12 C11 -174.6(6) no . . .
C12 As1 C1 C2 174.8(7) no . . .
C12 As1 C1 C6 -4.2(5) no . . .
C1 As1 C13 C14 69.0(5) no . . .
C1 As1 C13 C18 -107.4(4) no . . .
C13 As1 C1 C2 67.9(7) no . . .
C13 As1 C1 C6 -111.2(5) no . . .
C12 As1 C13 C14 -23.6(5) no . . .
C12 As1 C13 C18 160.0(4) no . . .
C13 As1 C12 C7 110.3(4) no . . .
C13 As1 C12 C11 -70.2(6) no . . .
Pt1 As2 C19 C20 -53.1(6) no . . .
Pt1 As2 C19 C24 127.2(3) no . . .
Pt1 As2 C30 C25 -125.7(4) no . . .
Pt1 As2 C30 C29 54.6(7) no . . .
Pt1 As2 C31 C32 175.8(3) no . . .
Pt1 As2 C31 C36 -6.6(5) no . . .
C19 As2 C30 C25 1.7(5) no . . .
C19 As2 C30 C29 -178.0(7) no . . .
C30 As2 C19 C20 178.2(6) no . . .
C30 As2 C19 C24 -1.5(5) no . . .
C19 As2 C31 C32 42.4(5) no . . .
C19 As2 C31 C36 -140.0(4) no . . .
C31 As2 C19 C20 74.4(6) no . . .
C31 As2 C19 C24 -105.3(4) no . . .
C30 As2 C31 C32 -49.3(5) no . . .
C30 As2 C31 C36 128.3(4) no . . .
C31 As2 C30 C25 106.1(5) no . . .
C31 As2 C30 C29 -73.5(7) no . . .
C37 Cl3 C37 Cl3 0.0 no . 2_475 2_475
C37 Cl3 C37 Cl3 0.0 no 2_475 . 2_475
As1 C1 C2 C3 -178.5(5) no . . .
As1 C1 C6 C5 179.2(5) no . . .
As1 C1 C6 C7 1.7(8) no . . .
C2 C1 C6 C5 0.0(12) no . . .
C2 C1 C6 C7 -177.5(7) no . . .
C6 C1 C2 C3 0.5(12) no . . .
C1 C2 C3 C4 -0.9(13) no . . .
C2 C3 C4 C5 0.8(15) no . . .
C3 C4 C5 C6 -0.2(15) no . . .
C4 C5 C6 C1 -0.2(13) no . . .
C4 C5 C6 C7 177.1(8) no . . .
C1 C6 C7 C8 179.1(7) no . . .
C1 C6 C7 C12 3.3(10) no . . .
C5 C6 C7 C8 1.8(13) no . . .
C5 C6 C7 C12 -174.0(8) no . . .
C6 C7 C8 C9 -174.1(7) no . . .
C6 C7 C12 As1 -6.4(9) no . . .
C6 C7 C12 C11 174.0(6) no . . .
C8 C7 C12 As1 177.5(6) no . . .
C8 C7 C12 C11 -2.0(11) no . . .
C12 C7 C8 C9 1.5(12) no . . .
C7 C8 C9 C10 0.2(14) no . . .
C8 C9 C10 C11 -1.5(14) no . . .
C9 C10 C11 C12 1.0(13) no . . .
C10 C11 C12 As1 -178.6(6) no . . .
C10 C11 C12 C7 0.8(12) no . . .
As1 C13 C14 C15 -176.1(4) no . . .
As1 C13 C18 C17 175.4(4) no . . .
C14 C13 C18 C17 -1.0(9) no . . .
C18 C13 C14 C15 0.3(10) no . . .
C13 C14 C15 C16 1.1(11) no . . .
C14 C15 C16 C17 -1.7(12) no . . .
C15 C16 C17 C18 1.0(12) no . . .
C16 C17 C18 C13 0.3(11) no . . .
As2 C19 C20 C21 -178.3(5) no . . .
As2 C19 C24 C23 179.6(5) no . . .
As2 C19 C24 C25 1.1(8) no . . .
C20 C19 C24 C23 -0.1(11) no . . .
C20 C19 C24 C25 -178.6(7) no . . .
C24 C19 C20 C21 1.3(11) no . . .
C19 C20 C21 C22 -2.0(12) no . . .
C20 C21 C22 C23 1.6(14) no . . .
C21 C22 C23 C24 -0.4(15) no . . .
C22 C23 C24 C19 -0.4(13) no . . .
C22 C23 C24 C25 178.0(8) no . . .
C19 C24 C25 C26 178.0(7) no . . .
C19 C24 C25 C30 0.3(10) no . . .
C23 C24 C25 C26 -0.4(14) no . . .
C23 C24 C25 C30 -178.1(8) no . . .
C24 C25 C26 C27 -177.8(8) no . . .
C24 C25 C30 As2 -1.5(9) no . . .
C24 C25 C30 C29 178.2(6) no . . .
C26 C25 C30 As2 -179.4(7) no . . .
C26 C25 C30 C29 0.3(12) no . . .
C30 C25 C26 C27 -0.1(13) no . . .
C25 C26 C27 C28 0.7(16) no . . .
C26 C27 C28 C29 -1.4(16) no . . .
C27 C28 C29 C30 1.6(14) no . . .
C28 C29 C30 As2 178.6(7) no . . .
C28 C29 C30 C25 -1.0(13) no . . .
As2 C31 C32 C33 177.9(4) no . . .
As2 C31 C36 C35 -176.7(4) no . . .
C32 C31 C36 C35 0.9(10) no . . .
C36 C31 C32 C33 0.3(10) no . . .
C31 C32 C33 C34 -1.9(11) no . . .
C32 C33 C34 C35 2.3(13) no . . .
C33 C34 C35 C36 -1.2(14) no . . .
C34 C35 C36 C31 -0.5(13) no . . .
