#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:01:34 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237402 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/82/4088232.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_4088232
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 H26 As2 Cl2 Pt'
_chemical_formula_sum            'C36 H26 As2 Cl2 Pt'
_chemical_formula_weight         874.44
_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                97.1321(13)
_cell_angle_beta                 100.5790(15)
_cell_angle_gamma                96.5769(13)
_cell_formula_units_Z            2
_cell_length_a                   8.9443(4)
_cell_length_b                   9.6885(4)
_cell_length_c                   19.3879(8)
_cell_measurement_reflns_used    8900
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.08
_cell_volume                     1622.43(12)
_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  'CRYSTALS (Carruthers, et al., 1999)'
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0653
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16158
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.080
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.520
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_correction_T_min  0.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             840.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.330
_refine_diff_density_min         -1.460
_refine_ls_extinction_coef       38(5)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     413
_refine_ls_number_reflns         4176
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0008Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                3946
_reflns_number_total             7394
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om5b00944_si_002.cif
_cod_data_source_block           PtCl2-CH2Cl2
_cod_database_code               4088232
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 0.05160(4) 0.44214(3) 0.26918(2) 0.03498(11) Uani 1 2 d .
As1 As -0.05901(10) 0.27682(9) 0.33422(5) 0.0361(3) Uani 1 2 d .
As2 As 0.16549(10) 0.60628(9) 0.20461(5) 0.0354(3) Uani 1 2 d .
Cl4 Cl -0.0437(3) 0.3004(2) 0.16175(13) 0.0563(8) Uani 1 2 d .
Cl5 Cl 0.1449(3) 0.5822(2) 0.37672(12) 0.0511(7) Uani 1 2 d .
C3 C -0.4466(12) 0.4653(11) 0.3557(6) 0.067(4) Uani 1 2 d .
C6 C 0.446(6) 0.970(5) -0.039(2) 0.33(2) Uiso 1 2 d .
C7 C 0.2293(13) 0.0688(12) 0.5061(6) 0.066(4) Uani 1 2 d .
C8 C -0.1301(11) 0.6797(12) 0.0202(5) 0.056(3) Uani 1 2 d .
C9 C 0.1390(11) -0.0074(10) 0.4460(5) 0.051(3) Uani 1 2 d .
C10 C -0.4902(12) 0.4151(10) 0.4136(6) 0.059(3) Uani 1 2 d .
C11 C 0.5640(13) 0.4373(14) 0.1067(6) 0.078(4) Uani 1 2 d .
C12 C 0.2403(12) 0.2131(12) 0.5200(6) 0.064(4) Uani 1 2 d .
C13 C 0.0691(11) 0.8268(9) 0.1396(5) 0.043(3) Uani 1 2 d .
C14 C -0.4044(12) 0.3297(11) 0.4507(6) 0.060(4) Uani 1 2 d .
C15 C -0.1036(14) 0.8234(13) 0.0307(6) 0.070(4) Uani 1 2 d .
C16 C -0.2094(14) -0.1999(11) 0.2517(6) 0.065(4) Uani 1 2 d .
C17 C -0.0057(12) 0.8984(11) 0.0896(6) 0.058(4) Uani 1 2 d .
C18 C 0.0652(10) 0.2078(9) 0.4106(5) 0.041(3) Uani 1 2 d .
C19 C -0.1018(13) -0.1525(10) 0.3102(6) 0.055(3) Uani 1 2 d .
C20 C 0.1564(11) 0.2834(10) 0.4720(5) 0.047(3) Uani 1 2 d .
C21 C 0.3585(12) 0.8444(10) 0.3066(6) 0.057(3) Uani 1 2 d .
C22 C -0.1332(10) 0.0843(9) 0.2916(5) 0.041(3) Uani 1 2 d .
C23 C 0.4055(13) 0.9895(12) 0.3262(6) 0.072(4) Uani 1 2 d .
C24 C 0.2325(14) 1.0358(10) 0.2266(6) 0.065(4) Uani 1 2 d .
C25 C 0.2500(10) 0.7961(8) 0.2463(5) 0.037(3) Uani 1 2 d .
C26 C -0.2412(11) 0.0348(10) 0.2318(6) 0.052(3) Uani 1 2 d .
C27 C -0.0576(11) 0.6072(10) 0.0702(5) 0.048(3) Uani 1 2 d .
C28 C -0.2313(10) 0.3396(8) 0.3703(5) 0.040(3) Uani 1 2 d .
C29 C 0.3399(15) 1.0810(11) 0.2844(7) 0.075(4) Uani 1 2 d .
C30 C 0.4904(14) 0.3624(13) 0.1473(6) 0.078(5) Uani 1 2 d .
C31 C 0.3287(10) 0.5351(9) 0.1631(5) 0.041(3) Uani 1 2 d .
C32 C 0.0435(10) 0.6794(9) 0.1294(5) 0.039(3) Uani 1 2 d .
C33 C 0.4016(11) 0.6125(11) 0.1226(6) 0.061(4) Uani 1 2 d .
C34 C 0.0510(11) 0.0611(9) 0.3974(5) 0.044(3) Uani 1 2 d .
C35 C -0.0602(10) -0.0061(9) 0.3330(5) 0.039(3) Uani 1 2 d .
C36 C 0.5203(13) 0.5624(12) 0.0950(6) 0.072(4) Uani 1 2 d .
C37 C -0.3169(12) 0.4278(10) 0.3342(5) 0.057(3) Uani 1 2 d .
C38 C 0.3703(12) 0.4062(10) 0.1756(5) 0.056(3) Uani 1 2 d .
C39 C -0.2741(10) 0.2939(9) 0.4280(5) 0.048(3) Uani 1 2 d .
C40 C -0.2810(13) -0.1077(11) 0.2126(6) 0.064(4) Uani 1 2 d .
C41 C 0.1837(11) 0.8909(9) 0.2043(5) 0.044(3) Uani 1 2 d .
C42 C 0.4197(19) 0.9849(18) 0.0675(8) 0.085(5) Uiso 1 2 d .
C43 C 0.354(3) 0.891(2) -0.0039(17) 0.162(9) Uiso 1 2 d .
C44 C 0.594(3) 1.066(2) -0.0376(13) 0.093(5) Uiso 1 2 d .
H3 H -0.50325 0.52501 0.33113 0.0796 Uiso 1 2 calc R
H7 H 0.2867 0.0217 0.53816 0.0804 Uiso 1 2 calc R
H8 H -0.1955 0.63277 -0.021 0.0653 Uiso 1 2 calc R
H9 H 0.13604 -0.10434 0.43713 0.0598 Uiso 1 2 calc R
H10 H -0.57915 0.43825 0.42774 0.0696 Uiso 1 2 calc R
H11 H 0.64325 0.40454 0.08725 0.0920 Uiso 1 2 calc R
H12 H 0.30065 0.26092 0.56229 0.0733 Uiso 1 2 calc R
H14 H -0.43332 0.29579 0.48985 0.0718 Uiso 1 2 calc R
H15 H -0.15201 0.87261 -0.00314 0.0869 Uiso 1 2 calc R
H16 H -0.23559 -0.29583 0.23593 0.0775 Uiso 1 2 calc R
H17 H 0.0066 0.9961 0.09677 0.0717 Uiso 1 2 calc R
H19 H -0.05778 -0.21632 0.33684 0.0683 Uiso 1 2 calc R
H20 H 0.16527 0.38088 0.48087 0.0550 Uiso 1 2 calc R
H21 H 0.40393 0.781 0.33312 0.0681 Uiso 1 2 calc R
H23 H 0.47708 1.02332 0.36781 0.0787 Uiso 1 2 calc R
H24 H 0.1928 1.09927 0.19843 0.0761 Uiso 1 2 calc R
H26 H -0.28627 0.09684 0.20425 0.0629 Uiso 1 2 calc R
H27 H -0.07653 0.50955 0.06323 0.0587 Uiso 1 2 calc R
H29 H 0.36968 1.17701 0.29869 0.0869 Uiso 1 2 calc R
H30 H 0.52248 0.27791 0.15764 0.0993 Uiso 1 2 calc R
H33 H 0.37209 0.69839 0.11337 0.0745 Uiso 1 2 calc R
H36 H 0.57167 0.61596 0.06761 0.0866 Uiso 1 2 calc R
H37 H -0.28597 0.46079 0.29524 0.0723 Uiso 1 2 calc R
H38 H 0.31414 0.35014 0.20016 0.0723 Uiso 1 2 calc R
H39 H -0.21596 0.23589 0.45307 0.0579 Uiso 1 2 calc R
H40 H -0.35784 -0.142 0.17286 0.0730 Uiso 1 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)
;
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
As1 Pt1 As2 179.21(4) yes . .
As1 Pt1 Cl4 92.86(7) yes . .
As1 Pt1 Cl5 86.62(7) yes . .
As2 Pt1 Cl4 87.28(7) yes . .
As2 Pt1 Cl5 93.24(7) yes . .
Cl4 Pt1 Cl5 179.45(10) yes . .
Pt1 As1 C18 121.1(3) yes . .
Pt1 As1 C22 121.3(3) yes . .
Pt1 As1 C28 112.2(3) yes . .
C18 As1 C22 88.5(4) yes . .
C18 As1 C28 106.6(4) yes . .
C22 As1 C28 103.9(4) yes . .
Pt1 As2 C25 122.6(3) yes . .
Pt1 As2 C31 112.1(3) yes . .
Pt1 As2 C32 121.2(3) yes . .
C25 As2 C31 104.2(4) yes . .
C25 As2 C32 88.6(4) yes . .
C31 As2 C32 104.5(4) yes . .
C10 C3 C37 119.7(10) yes . .
C6 C6 C42 86(3) yes 2_675 2_675
C6 C6 C43 87(3) yes 2_675 .
C6 C6 C44 63(3) yes 2_675 .
C6 C6 C44 55(2) yes 2_675 2_675
C42 C6 C43 158(4) yes 2_675 .
C42 C6 C44 26.7(14) yes 2_675 .
C42 C6 C44 139(3) yes 2_675 2_675
C43 C6 C44 150(3) yes . .
C43 C6 C44 32.1(16) yes . 2_675
C44 C6 C44 118(3) yes . 2_675
C9 C7 C12 122.1(11) yes . .
C15 C8 C27 119.6(9) yes . .
C7 C9 C34 119.6(9) yes . .
C3 C10 C14 120.8(11) yes . .
C30 C11 C36 118.1(12) yes . .
C7 C12 C20 119.3(9) yes . .
C17 C13 C32 119.6(8) yes . .
C17 C13 C41 126.0(8) yes . .
C32 C13 C41 114.4(8) yes . .
C10 C14 C39 118.2(10) yes . .
C8 C15 C17 122.0(11) yes . .
C19 C16 C40 120.8(9) yes . .
C13 C17 C15 119.0(10) yes . .
As1 C18 C20 128.4(7) yes . .
As1 C18 C34 110.3(6) yes . .
C20 C18 C34 121.3(9) yes . .
C16 C19 C35 120.2(10) yes . .
C12 C20 C18 119.3(9) yes . .
C23 C21 C25 119.5(10) yes . .
As1 C22 C26 128.7(7) yes . .
As1 C22 C35 109.6(6) yes . .
C26 C22 C35 121.7(8) yes . .
C21 C23 C29 119.2(9) yes . .
C29 C24 C41 120.8(10) yes . .
As2 C25 C21 129.5(7) yes . .
As2 C25 C41 109.9(6) yes . .
C21 C25 C41 120.6(8) yes . .
C22 C26 C40 118.9(10) yes . .
C8 C27 C32 119.9(9) yes . .
As1 C28 C37 119.0(8) yes . .
As1 C28 C39 121.6(7) yes . .
C37 C28 C39 119.4(9) yes . .
C23 C29 C24 121.9(10) yes . .
C11 C30 C38 122.8(12) yes . .
As2 C31 C33 119.9(7) yes . .
As2 C31 C38 119.8(8) yes . .
C33 C31 C38 120.3(9) yes . .
As2 C32 C13 111.3(6) yes . .
As2 C32 C27 128.8(7) yes . .
C13 C32 C27 119.9(9) yes . .
C31 C33 C36 119.3(10) yes . .
C9 C34 C18 118.3(8) yes . .
C9 C34 C35 126.3(8) yes . .
C18 C34 C35 115.4(8) yes . .
C19 C35 C22 117.5(8) yes . .
C19 C35 C34 126.3(9) yes . .
C22 C35 C34 116.1(7) yes . .
C11 C36 C33 121.6(12) yes . .
C3 C37 C28 120.0(10) yes . .
C30 C38 C31 117.8(10) yes . .
C14 C39 C28 121.8(9) yes . .
C16 C40 C26 120.8(9) yes . .
C13 C41 C24 126.1(9) yes . .
C13 C41 C25 115.9(7) yes . .
C24 C41 C25 118.0(8) yes . .
C6 C42 C43 88(2) yes 2_675 .
C6 C42 C44 82(3) yes 2_675 2_675
C43 C42 C44 14(2) yes . 2_675
C6 C43 C42 92(2) yes . .
C6 C43 C44 91(3) yes . 2_675
C42 C43 C44 11.0(18) yes . 2_675
C6 C44 C6 62(2) yes . 2_675
C6 C44 C42 72(3) yes . 2_675
C6 C44 C43 118(3) yes . 2_675
C6 C44 C42 122(3) yes 2_675 2_675
C6 C44 C43 57(3) yes 2_675 2_675
C42 C44 C43 155(4) yes 2_675 2_675
C10 C3 H3 120.943 no . .
C37 C3 H3 119.361 no . .
C9 C7 H7 118.586 no . .
C12 C7 H7 119.299 no . .
C15 C8 H8 119.208 no . .
C27 C8 H8 121.219 no . .
C7 C9 H9 120.509 no . .
C34 C9 H9 119.936 no . .
C3 C10 H10 120.153 no . .
C14 C10 H10 119.001 no . .
C30 C11 H11 121.273 no . .
C36 C11 H11 120.623 no . .
C7 C12 H12 119.429 no . .
C20 C12 H12 121.191 no . .
C10 C14 H14 121.098 no . .
C39 C14 H14 120.653 no . .
C8 C15 H15 119.733 no . .
C17 C15 H15 118.305 no . .
C19 C16 H16 120.536 no . .
C40 C16 H16 118.640 no . .
C13 C17 H17 120.420 no . .
C15 C17 H17 120.526 no . .
C16 C19 H19 119.484 no . .
C35 C19 H19 120.256 no . .
C12 C20 H20 119.334 no . .
C18 C20 H20 121.348 no . .
C23 C21 H21 120.495 no . .
C25 C21 H21 119.922 no . .
C21 C23 H23 120.068 no . .
C29 C23 H23 120.658 no . .
C29 C24 H24 120.193 no . .
C41 C24 H24 118.858 no . .
C22 C26 H26 120.284 no . .
C40 C26 H26 120.791 no . .
C8 C27 H27 119.474 no . .
C32 C27 H27 120.584 no . .
C23 C29 H29 118.412 no . .
C24 C29 H29 119.683 no . .
C11 C30 H30 119.047 no . .
C38 C30 H30 118.147 no . .
C31 C33 H33 120.246 no . .
C36 C33 H33 120.465 no . .
C11 C36 H36 118.844 no . .
C33 C36 H36 119.507 no . .
C3 C37 H37 120.733 no . .
C28 C37 H37 119.260 no . .
C30 C38 H38 122.318 no . .
C31 C38 H38 119.799 no . .
C14 C39 H39 118.366 no . .
C28 C39 H39 119.835 no . .
C16 C40 H40 119.953 no . .
C26 C40 H40 119.233 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 As1 2.3939(10) yes .
Pt1 As2 2.3928(10) yes .
Pt1 Cl4 2.307(2) yes .
Pt1 Cl5 2.299(2) yes .
As1 C18 1.919(9) yes .
As1 C22 1.932(8) yes .
As1 C28 1.933(10) yes .
As2 C25 1.923(8) yes .
As2 C31 1.944(10) yes .
As2 C32 1.915(9) yes .
C3 C10 1.379(17) yes .
C3 C37 1.374(16) yes .
C6 C6 1.63(5) yes 2_675
C6 C42 1.46(6) yes 2_675
C6 C43 1.39(6) yes .
C6 C44 1.52(6) yes .
C6 C44 1.66(5) yes 2_675
C7 C9 1.364(13) yes .
C7 C12 1.379(16) yes .
C8 C15 1.368(17) yes .
C8 C27 1.376(15) yes .
C9 C34 1.397(14) yes .
C10 C14 1.372(15) yes .
C11 C30 1.343(19) yes .
C11 C36 1.348(19) yes .
C12 C20 1.383(15) yes .
C13 C17 1.380(15) yes .
C13 C32 1.404(12) yes .
C13 C41 1.483(12) yes .
C14 C39 1.384(15) yes .
C15 C17 1.371(14) yes .
C16 C19 1.339(14) yes .
C16 C40 1.380(16) yes .
C18 C20 1.382(11) yes .
C18 C34 1.399(12) yes .
C19 C35 1.417(12) yes .
C21 C23 1.404(14) yes .
C21 C25 1.368(12) yes .
C22 C26 1.362(12) yes .
C22 C35 1.397(13) yes .
C23 C29 1.382(17) yes .
C24 C29 1.325(16) yes .
C24 C41 1.410(12) yes .
C25 C41 1.411(13) yes .
C26 C40 1.372(13) yes .
C27 C32 1.378(11) yes .
C28 C37 1.381(14) yes .
C28 C39 1.356(14) yes .
C30 C38 1.377(17) yes .
C31 C33 1.351(15) yes .
C31 C38 1.381(14) yes .
C33 C36 1.382(17) yes .
C34 C35 1.472(11) yes .
C42 C43 1.53(3) yes .
C42 C44 0.69(3) yes 2_675
C43 C44 0.88(3) yes 2_675
C3 H3 0.930 no .
C7 H7 0.930 no .
C8 H8 0.930 no .
C9 H9 0.930 no .
C10 H10 0.930 no .
C11 H11 0.930 no .
C12 H12 0.930 no .
C14 H14 0.930 no .
C15 H15 0.930 no .
C16 H16 0.930 no .
C17 H17 0.930 no .
C19 H19 0.930 no .
C20 H20 0.930 no .
C21 H21 0.930 no .
C23 H23 0.930 no .
C24 H24 0.930 no .
C26 H26 0.930 no .
C27 H27 0.930 no .
C29 H29 0.930 no .
C30 H30 0.930 no .
C33 H33 0.930 no .
C36 H36 0.930 no .
C37 H37 0.930 no .
C38 H38 0.930 no .
C39 H39 0.930 no .
C40 H40 0.930 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
Cl4 C26 3.506(11) no .
Cl5 C21 3.557(11) no .
C3 C39 2.734(15) no .
C7 C18 2.734(15) no .
C8 C13 2.765(12) no .
C9 C19 3.139(13) no .
C9 C20 2.781(13) no .
C10 C28 2.748(15) no .
C11 C31 2.750(16) no .
C12 C34 2.786(13) no .
C14 C37 2.763(16) no .
C15 C32 2.739(15) no .
C16 C22 2.738(13) no .
C17 C24 3.125(14) no .
C17 C27 2.773(14) no .
C18 C39 3.303(14) no .
C19 C26 2.769(15) no .
C21 C24 2.769(16) no .
C23 C41 2.778(13) no .
C25 C29 2.753(13) no .
C25 C33 3.384(14) no .
C30 C33 2.706(17) no .
C32 C33 3.363(14) no .
C35 C40 2.759(13) no .
C36 C38 2.724(17) no .
C42 C42 3.24(3) no 2_675
C43 C43 3.14(3) no 2_675
C3 C38 3.520(14) no 1_455
C7 C9 3.588(16) no 2_556
C7 C34 3.598(16) no 2_556
C9 C7 3.588(16) no 2_556
C9 C9 3.535(15) no 2_556
C10 C10 3.589(15) no 2_466
C19 C41 3.578(16) no 1_545
C27 C27 3.591(14) no 2_565
C34 C7 3.598(16) no 2_556
C38 C3 3.520(14) no 1_655
C41 C19 3.578(16) no 1_565
Pt1 H37 3.1728 no .
Pt1 H38 3.0719 no .
As1 H20 3.1393 no .
As1 H26 3.1206 no .
As1 H37 2.9101 no .
As1 H39 2.9537 no .
As2 H21 3.1299 no .
As2 H27 3.1299 no .
As2 H33 2.9249 no .
As2 H38 2.9459 no .
Cl4 H26 3.0584 no .
Cl4 H27 2.9553 no .
Cl4 H38 3.1167 no .
Cl5 H20 2.9732 no .
Cl5 H21 3.1452 no .
C3 H14 3.2358 no .
C7 H20 3.2200 no .
C8 H17 3.2312 no .
C9 H12 3.2276 no .
C9 H19 2.9029 no .
C10 H37 3.2250 no .
C10 H39 3.1988 no .
C11 H33 3.2181 no .
C11 H38 3.2292 no .
C12 H9 3.2365 no .
C13 H15 3.2033 no .
C13 H24 2.7595 no .
C13 H27 3.2526 no .
C13 H33 3.2046 no .
C14 H3 3.2337 no .
C15 H27 3.2081 no .
C16 H26 3.2344 no .
C17 H8 3.2239 no .
C17 H24 2.8649 no .
C18 H9 3.2433 no .
C18 H12 3.2335 no .
C18 H39 2.8179 no .
C19 H9 2.8922 no .
C19 H40 3.1978 no .
C20 H7 3.2204 no .
C20 H39 3.2556 no .
C21 H29 3.2362 no .
C22 H19 3.2520 no .
C22 H39 3.5300 no .
C22 H40 3.1915 no .
C23 H24 3.2053 no .
C24 H17 2.8776 no .
C24 H23 3.1998 no .
C25 H23 3.2326 no .
C25 H24 3.2553 no .
C25 H33 3.0658 no .
C26 H16 3.2200 no .
C27 H15 3.2106 no .
C28 H3 3.2220 no .
C28 H14 3.2292 no .
C29 H21 3.2457 no .
C30 H36 3.1462 no .
C31 H30 3.1960 no .
C31 H36 3.1947 no .
C32 H8 3.2305 no .
C32 H17 3.2501 no .
C32 H33 2.9986 no .
C33 H11 3.2240 no .
C33 H38 3.2033 no .
C34 H7 3.2196 no .
C34 H19 2.7837 no .
C34 H20 3.2683 no .
C34 H39 3.3390 no .
C35 H9 2.7606 no .
C35 H16 3.2365 no .
C35 H26 3.2467 no .
C36 H30 3.1478 no .
C37 H10 3.2210 no .
C37 H39 3.2048 no .
C38 H11 3.2291 no .
C38 H33 3.2115 no .
C39 H10 3.2045 no .
C39 H37 3.1975 no .
C40 H19 3.2006 no .
C41 H17 2.7532 no .
C41 H21 3.2534 no .
C41 H29 3.2195 no .
C41 H33 3.2284 no .
H3 H10 2.3244 no .
H3 H37 2.3053 no .
H7 H9 2.2812 no .
H7 H12 2.2911 no .
H8 H15 2.2835 no .
H8 H27 2.3155 no .
H9 H19 2.4022 no .
H10 H14 2.3032 no .
H11 H30 2.2777 no .
H11 H36 2.2705 no .
H12 H20 2.3206 no .
H14 H39 2.2999 no .
H15 H17 2.2854 no .
H16 H19 2.2700 no .
H16 H40 2.2906 no .
H17 H24 2.3626 no .
H20 H39 3.4541 no .
H21 H23 2.3424 no .
H23 H29 2.2992 no .
H24 H29 2.2546 no .
H26 H40 2.3028 no .
H30 H38 2.3154 no .
H33 H36 2.3116 no .
Cl4 H11 3.2356 no 1_455
Cl4 H17 3.1732 no 1_545
Cl4 H24 3.0842 no 1_545
Cl5 H3 3.5058 no 1_655
Cl5 H9 3.1316 no 1_565
Cl5 H10 3.0414 no 1_655
Cl5 H14 3.2918 no 2_566
Cl5 H19 2.8923 no 1_565
Cl5 H39 3.4539 no 2_566
C3 H12 2.9443 no 2_566
C3 H21 3.5199 no 1_455
C3 H29 3.0390 no 1_445
C3 H38 3.3409 no 1_455
C6 H11 3.5962 no 2_665
C6 H15 3.3587 no 2_575
C6 H26 3.2147 no 2_565
C6 H30 3.1927 no 2_665
C6 H40 3.2793 no 2_565
C7 H23 3.5198 no 2_666
C7 H39 3.1450 no 2_556
C8 H27 3.2452 no 2_565
C8 H36 3.0007 no 1_455
C9 H39 3.1829 no 2_556
C10 H10 3.1435 no 2_466
C10 H12 3.3272 no 2_566
C10 H14 3.3805 no 2_466
C10 H20 3.5581 no 1_455
C10 H20 3.4693 no 2_566
C10 H29 2.9816 no 1_445
C11 H8 3.3583 no 2_565
C11 H16 3.4439 no 1_665
C11 H27 3.4876 no 1_655
C11 H36 3.3275 no 2_665
C12 H10 3.4332 no 1_655
C12 H14 3.1164 no 1_655
C12 H19 3.4678 no 2_556
C14 H10 3.0847 no 2_466
C14 H20 3.2949 no 2_566
C14 H23 3.1605 no 1_445
C14 H29 3.3175 no 1_445
C15 H17 3.3806 no 2_575
C15 H36 3.5735 no 1_455
C16 H37 3.5176 no 1_545
C17 H15 3.2853 no 2_575
C19 H12 3.4941 no 2_556
C20 H10 2.9715 no 1_655
C21 H3 3.5149 no 1_655
C21 H9 3.5176 no 1_565
C23 H7 3.4624 no 2_666
C24 H38 3.1760 no 1_565
C25 H19 3.5244 no 1_565
C26 H30 3.5983 no 1_455
C27 H8 3.5900 no 2_565
C27 H11 3.2259 no 1_455
C27 H27 3.1829 no 2_565
C27 H36 3.3178 no 1_455
C29 H38 3.2519 no 1_565
C30 H8 3.2623 no 2_565
C30 H26 3.5914 no 1_655
C30 H37 3.1486 no 1_655
C31 H3 3.3468 no 1_655
C31 H8 2.9816 no 2_565
C32 H16 3.5309 no 1_565
C33 H8 3.0697 no 2_565
C33 H16 3.5192 no 1_665
C33 H40 2.9529 no 1_665
C34 H7 3.5218 no 2_556
C35 H7 3.5006 no 2_556
C36 H8 3.2572 no 2_565
C36 H16 3.2115 no 1_665
C36 H36 3.3116 no 2_665
C36 H40 3.0461 no 1_665
C37 H12 3.3816 no 2_566
C37 H16 3.5574 no 1_565
C37 H29 3.3988 no 1_445
C37 H30 3.5170 no 1_455
C38 H3 3.0477 no 1_655
C38 H8 3.0710 no 2_565
C38 H24 3.3263 no 1_545
C38 H29 3.4564 no 1_545
C38 H37 3.4376 no 1_655
C39 H7 3.2001 no 2_556
C39 H9 3.5016 no 2_556
C39 H20 3.3582 no 2_566
C39 H23 3.1842 no 1_445
C40 H33 3.5258 no 1_445
C40 H36 3.5729 no 1_445
C42 H15 3.0465 no 2_575
C42 H26 3.3466 no 1_665
C42 H30 3.0891 no 1_565
C42 H33 3.0263 no .
C42 H40 3.0558 no 1_665
C43 H11 3.1126 no 2_665
C43 H15 3.0806 no 2_575
C43 H33 3.1080 no .
C44 H15 3.1317 no 1_655
C44 H33 2.8843 no 2_675
C44 H40 3.2723 no 2_565
H3 Cl5 3.5058 no 1_455
H3 C21 3.5149 no 1_455
H3 C31 3.3468 no 1_455
H3 C38 3.0477 no 1_455
H3 H12 2.9249 no 2_566
H3 H21 2.7021 no 1_455
H3 H29 3.3746 no 1_445
H3 H38 2.9599 no 1_455
H7 C23 3.4624 no 2_666
H7 C34 3.5218 no 2_556
H7 C35 3.5006 no 2_556
H7 C39 3.2001 no 2_556
H7 H14 3.4996 no 2_556
H7 H21 3.5506 no 2_666
H7 H23 2.6405 no 2_666
H7 H39 2.5379 no 2_556
H8 C11 3.3583 no 2_565
H8 C27 3.5900 no 2_565
H8 C30 3.2623 no 2_565
H8 C31 2.9816 no 2_565
H8 C33 3.0697 no 2_565
H8 C36 3.2572 no 2_565
H8 C38 3.0710 no 2_565
H8 H11 3.5927 no 1_455
H8 H27 3.1163 no 2_565
H8 H33 3.5171 no 2_565
H8 H36 2.9360 no 1_455
H8 H38 3.4711 no 2_565
H9 Cl5 3.1316 no 1_545
H9 C21 3.5176 no 1_545
H9 C39 3.5016 no 2_556
H9 H14 3.5937 no 2_556
H9 H21 3.5874 no 1_545
H9 H39 2.6440 no 2_556
H10 Cl5 3.0414 no 1_455
H10 C10 3.1435 no 2_466
H10 C12 3.4332 no 1_455
H10 C14 3.0847 no 2_466
H10 C20 2.9715 no 1_455
H10 H10 2.9343 no 2_466
H10 H12 3.5542 no 1_455
H10 H12 3.5717 no 2_566
H10 H14 2.8375 no 2_466
H10 H20 2.7040 no 1_455
H10 H29 3.2584 no 1_445
H11 Cl4 3.2356 no 1_655
H11 C6 3.5962 no 2_665
H11 C27 3.2259 no 1_655
H11 C43 3.1126 no 2_665
H11 H8 3.5927 no 1_655
H11 H27 2.7379 no 1_655
H11 H36 3.2240 no 2_665
H12 C3 2.9443 no 2_566
H12 C10 3.3272 no 2_566
H12 C19 3.4941 no 2_556
H12 C37 3.3816 no 2_566
H12 H3 2.9249 no 2_566
H12 H10 3.5542 no 1_655
H12 H10 3.5717 no 2_566
H12 H14 2.9848 no 1_655
H12 H19 3.2070 no 2_556
H12 H21 3.1212 no 2_666
H14 Cl5 3.2918 no 2_566
H14 C10 3.3805 no 2_466
H14 C12 3.1164 no 1_455
H14 H7 3.4996 no 2_556
H14 H9 3.5937 no 2_556
H14 H10 2.8375 no 2_466
H14 H12 2.9848 no 1_455
H14 H21 3.5708 no 2_566
H14 H23 3.2369 no 1_445
H15 C6 3.3587 no 2_575
H15 C17 3.2853 no 2_575
H15 C42 3.0465 no 2_575
H15 C43 3.0806 no 2_575
H15 C44 3.1317 no 1_455
H15 H15 3.4305 no 2_575
H15 H17 2.7688 no 2_575
H16 C11 3.4439 no 1_445
H16 C32 3.5309 no 1_545
H16 C33 3.5192 no 1_445
H16 C36 3.2115 no 1_445
H16 C37 3.5574 no 1_545
H16 H36 3.3550 no 1_445
H16 H37 2.7759 no 1_545
H17 Cl4 3.1732 no 1_565
H17 C15 3.3806 no 2_575
H17 H15 2.7688 no 2_575
H19 Cl5 2.8923 no 1_545
H19 C12 3.4678 no 2_556
H19 C25 3.5244 no 1_545
H19 H12 3.2070 no 2_556
H19 H37 3.4509 no 1_545
H20 C10 3.5581 no 1_655
H20 C10 3.4693 no 2_566
H20 C14 3.2949 no 2_566
H20 C39 3.3582 no 2_566
H20 H10 2.7040 no 1_655
H21 C3 3.5199 no 1_655
H21 H3 2.7021 no 1_655
H21 H7 3.5506 no 2_666
H21 H9 3.5874 no 1_565
H21 H12 3.1212 no 2_666
H21 H14 3.5708 no 2_566
H23 C7 3.5198 no 2_666
H23 C14 3.1605 no 1_665
H23 C39 3.1842 no 1_665
H23 H7 2.6405 no 2_666
H23 H14 3.2369 no 1_665
H23 H39 3.2718 no 1_665
H24 Cl4 3.0842 no 1_565
H24 C38 3.3263 no 1_565
H24 H30 3.5133 no 1_565
H24 H38 2.5394 no 1_565
H26 C6 3.2147 no 2_565
H26 C30 3.5914 no 1_455
H26 C42 3.3466 no 1_445
H26 H30 2.7081 no 1_455
H27 C8 3.2452 no 2_565
H27 C11 3.4876 no 1_455
H27 C27 3.1829 no 2_565
H27 H8 3.1163 no 2_565
H27 H11 2.7379 no 1_455
H27 H27 3.0162 no 2_565
H27 H36 3.4337 no 1_455
H29 C3 3.0390 no 1_665
H29 C10 2.9816 no 1_665
H29 C14 3.3175 no 1_665
H29 C37 3.3988 no 1_665
H29 C38 3.4564 no 1_565
H29 H3 3.3746 no 1_665
H29 H10 3.2584 no 1_665
H29 H30 3.4687 no 1_565
H29 H38 2.7107 no 1_565
H30 C6 3.1927 no 2_665
H30 C26 3.5983 no 1_655
H30 C37 3.5170 no 1_655
H30 C42 3.0891 no 1_545
H30 H24 3.5133 no 1_545
H30 H26 2.7081 no 1_655
H30 H29 3.4687 no 1_545
H30 H37 3.1055 no 1_655
H33 C40 3.5258 no 1_665
H33 C42 3.0263 no .
H33 C43 3.1080 no .
H33 C44 2.8843 no 2_675
H33 H8 3.5171 no 2_565
H33 H40 2.6898 no 1_665
H36 C8 3.0007 no 1_655
H36 C11 3.3275 no 2_665
H36 C15 3.5735 no 1_655
H36 C27 3.3178 no 1_655
H36 C36 3.3116 no 2_665
H36 C40 3.5729 no 1_665
H36 H8 2.9360 no 1_655
H36 H11 3.2240 no 2_665
H36 H16 3.3550 no 1_665
H36 H27 3.4337 no 1_655
H36 H36 3.1951 no 2_665
H36 H40 2.8392 no 1_665
H37 C16 3.5176 no 1_565
H37 C30 3.1486 no 1_455
H37 C38 3.4376 no 1_455
H37 H16 2.7759 no 1_565
H37 H19 3.4509 no 1_565
H37 H30 3.1055 no 1_455
H38 C3 3.3409 no 1_655
H38 C24 3.1760 no 1_545
H38 C29 3.2519 no 1_545
H38 H3 2.9599 no 1_655
H38 H8 3.4711 no 2_565
H38 H24 2.5394 no 1_545
H38 H29 2.7107 no 1_545
H39 Cl5 3.4539 no 2_566
H39 C7 3.1450 no 2_556
H39 C9 3.1829 no 2_556
H39 H7 2.5379 no 2_556
H39 H9 2.6440 no 2_556
H39 H23 3.2718 no 1_445
H40 C6 3.2793 no 2_565
H40 C33 2.9529 no 1_445
H40 C36 3.0461 no 1_445
H40 C42 3.0558 no 1_445
H40 C44 3.2723 no 2_565
H40 H33 2.6898 no 1_445
H40 H36 2.8392 no 1_445
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
Cl4 Pt1 As1 C18 124.65(8) no . . .
Cl4 Pt1 As1 C22 15.31(9) no . . .
Cl4 Pt1 As1 C28 -108.06(8) no . . .
Cl5 Pt1 As1 C18 -55.52(8) no . . .
Cl5 Pt1 As1 C22 -164.86(8) no . . .
Cl5 Pt1 As1 C28 71.77(8) no . . .
Cl4 Pt1 As2 C25 167.33(8) no . . .
Cl4 Pt1 As2 C31 -67.64(8) no . . .
Cl4 Pt1 As2 C32 56.66(8) no . . .
Cl5 Pt1 As2 C25 -12.50(8) no . . .
Cl5 Pt1 As2 C31 112.53(8) no . . .
Cl5 Pt1 As2 C32 -123.18(8) no . . .
Pt1 As1 C18 C20 58.5(9) no . . .
Pt1 As1 C18 C34 -122.7(5) no . . .
Pt1 As1 C22 C26 -57.4(9) no . . .
Pt1 As1 C22 C35 123.8(5) no . . .
Pt1 As1 C28 C37 28.0(5) no . . .
Pt1 As1 C28 C39 -155.0(4) no . . .
C18 As1 C22 C26 176.5(9) no . . .
C18 As1 C22 C35 -2.3(6) no . . .
C22 As1 C18 C20 -175.3(8) no . . .
C22 As1 C18 C34 3.5(6) no . . .
C18 As1 C28 C37 162.8(5) no . . .
C18 As1 C28 C39 -20.3(6) no . . .
C28 As1 C18 C20 -71.3(8) no . . .
C28 As1 C18 C34 107.5(6) no . . .
C22 As1 C28 C37 -104.6(5) no . . .
C22 As1 C28 C39 72.3(6) no . . .
C28 As1 C22 C26 69.8(9) no . . .
C28 As1 C22 C35 -109.0(6) no . . .
Pt1 As2 C25 C21 54.4(9) no . . .
Pt1 As2 C25 C41 -126.1(4) no . . .
Pt1 As2 C31 C33 177.6(4) no . . .
Pt1 As2 C31 C38 -2.9(6) no . . .
Pt1 As2 C32 C13 127.1(4) no . . .
Pt1 As2 C32 C27 -53.8(9) no . . .
C25 As2 C31 C33 -47.8(6) no . . .
C25 As2 C31 C38 131.7(5) no . . .
C31 As2 C25 C21 -74.1(8) no . . .
C31 As2 C25 C41 105.3(6) no . . .
C25 As2 C32 C13 -0.8(6) no . . .
C25 As2 C32 C27 178.2(8) no . . .
C32 As2 C25 C21 -178.7(8) no . . .
C32 As2 C25 C41 0.7(6) no . . .
C31 As2 C32 C13 -105.1(6) no . . .
C31 As2 C32 C27 74.0(8) no . . .
C32 As2 C31 C33 44.4(6) no . . .
C32 As2 C31 C38 -136.1(5) no . . .
C10 C3 C37 C28 0.4(13) no . . .
C37 C3 C10 C14 0.9(13) no . . .
C6 C6 C42 C43 -19(3) no 2_675 2_675 2_675
C6 C6 C42 C44 -31(3) no 2_675 2_675 .
C42 C6 C6 C42 180(3) no 2_675 2_675 .
C42 C6 C6 C43 21(3) no 2_675 2_675 2_675
C42 C6 C6 C44 -165(3) no 2_675 2_675 2_675
C42 C6 C6 C44 15.1(13) no 2_675 2_675 .
C6 C6 C43 C42 19(3) no 2_675 . .
C6 C6 C43 C44 9(3) no 2_675 . 2_675
C43 C6 C6 C42 -21(3) no . 2_675 .
C43 C6 C6 C43 180(3) no . 2_675 2_675
C43 C6 C6 C44 -6(2) no . 2_675 2_675
C43 C6 C6 C44 174(4) no . 2_675 .
C6 C6 C44 C6 0(2) no 2_675 . 2_675
C6 C6 C44 C42 145(3) no 2_675 . 2_675
C6 C6 C44 C43 -10(3) no 2_675 . 2_675
C44 C6 C6 C42 165(3) no . 2_675 .
C44 C6 C6 C43 6(2) no . 2_675 2_675
C44 C6 C6 C44 180(3) no . 2_675 2_675
C44 C6 C6 C44 0.0(10) no . 2_675 .
C6 C6 C44 C6 0(2) no 2_675 2_675 2_675
C6 C6 C44 C42 40(4) no 2_675 2_675 .
C6 C6 C44 C43 -170(4) no 2_675 2_675 .
C44 C6 C6 C42 -15.1(15) no 2_675 2_675 .
C44 C6 C6 C43 -174(4) no 2_675 2_675 2_675
C44 C6 C6 C44 0.0(10) no 2_675 2_675 2_675
C44 C6 C6 C44 180(3) no 2_675 2_675 .
C42 C6 C43 C42 90(9) no 2_675 . .
C42 C6 C43 C44 79(9) no 2_675 . 2_675
C43 C6 C42 C43 -89(9) no . 2_675 2_675
C43 C6 C42 C44 -102(9) no . 2_675 .
C42 C6 C44 C6 -145(3) no 2_675 . 2_675
C42 C6 C44 C42 0.0(15) no 2_675 . 2_675
C42 C6 C44 C43 -155(4) no 2_675 . 2_675
C44 C6 C42 C43 13(2) no . 2_675 2_675
C44 C6 C42 C44 0(2) no . 2_675 .
C42 C6 C44 C6 23(4) no 2_675 2_675 2_675
C42 C6 C44 C42 63(7) no 2_675 2_675 .
C42 C6 C44 C43 -147(6) no 2_675 2_675 .
C44 C6 C42 C43 -37(5) no 2_675 2_675 2_675
C44 C6 C42 C44 -50(5) no 2_675 2_675 .
C43 C6 C44 C6 -11(7) no . . 2_675
C43 C6 C44 C42 134(9) no . . 2_675
C43 C6 C44 C43 -21(10) no . . 2_675
C44 C6 C43 C42 29(8) no . . .
C44 C6 C43 C44 18(9) no . . 2_675
C43 C6 C44 C6 170(4) no . 2_675 2_675
C43 C6 C44 C42 -150(4) no . 2_675 .
C43 C6 C44 C43 0(2) no . 2_675 .
C44 C6 C43 C42 10.9(17) no 2_675 . .
C44 C6 C43 C44 0.0(15) no 2_675 . 2_675
C44 C6 C44 C6 0(3) no . 2_675 2_675
C44 C6 C44 C42 40(5) no . 2_675 .
C44 C6 C44 C43 -170(5) no . 2_675 .
C44 C6 C44 C6 0(2) no 2_675 . 2_675
C44 C6 C44 C42 145(4) no 2_675 . 2_675
C44 C6 C44 C43 -10(5) no 2_675 . 2_675
C9 C7 C12 C20 0.5(18) no . . .
C12 C7 C9 C34 -1.8(17) no . . .
C15 C8 C27 C32 -1.5(16) no . . .
C27 C8 C15 C17 0.4(17) no . . .
C7 C9 C34 C18 3.4(15) no . . .
C7 C9 C34 C35 -175.4(9) no . . .
C3 C10 C14 C39 -0.8(13) no . . .
C30 C11 C36 C33 -1.1(15) no . . .
C36 C11 C30 C38 1.9(15) no . . .
C7 C12 C20 C18 -1.0(16) no . . .
C17 C13 C32 As2 178.2(8) no . . .
C17 C13 C32 C27 -1.0(15) no . . .
C32 C13 C17 C15 -0.1(16) no . . .
C17 C13 C41 C24 1.7(17) no . . .
C17 C13 C41 C25 -177.5(10) no . . .
C41 C13 C17 C15 177.0(9) no . . .
C32 C13 C41 C24 179.0(8) no . . .
C32 C13 C41 C25 -0.2(13) no . . .
C41 C13 C32 As2 0.8(11) no . . .
C41 C13 C32 C27 -178.4(8) no . . .
C10 C14 C39 C28 -0.8(12) no . . .
C8 C15 C17 C13 0.4(18) no . . .
C19 C16 C40 C26 1.5(19) no . . .
C40 C16 C19 C35 0.2(19) no . . .
As1 C18 C20 C12 -178.5(6) no . . .
As1 C18 C34 C9 177.2(6) no . . .
As1 C18 C34 C35 -4.0(10) no . . .
C20 C18 C34 C9 -3.9(15) no . . .
C20 C18 C34 C35 175.0(8) no . . .
C34 C18 C20 C12 2.7(15) no . . .
C16 C19 C35 C22 -1.1(16) no . . .
C16 C19 C35 C34 177.3(10) no . . .
C23 C21 C25 As2 178.6(9) no . . .
C23 C21 C25 C41 -0.8(16) no . . .
C25 C21 C23 C29 0.6(17) no . . .
As1 C22 C26 C40 -177.4(7) no . . .
As1 C22 C35 C19 179.2(6) no . . .
As1 C22 C35 C34 0.6(10) no . . .
C26 C22 C35 C19 0.3(15) no . . .
C26 C22 C35 C34 -178.3(9) no . . .
C35 C22 C26 C40 1.3(16) no . . .
C21 C23 C29 C24 1(2) no . . .
C29 C24 C41 C13 -177.7(11) no . . .
C29 C24 C41 C25 1.5(17) no . . .
C41 C24 C29 C23 -2(2) no . . .
As2 C25 C41 C13 -0.5(10) no . . .
As2 C25 C41 C24 -179.7(6) no . . .
C21 C25 C41 C13 179.0(9) no . . .
C21 C25 C41 C24 -0.2(14) no . . .
C22 C26 C40 C16 -2.2(17) no . . .
C8 C27 C32 As2 -177.2(8) no . . .
C8 C27 C32 C13 1.8(15) no . . .
As1 C28 C37 C3 175.1(5) no . . .
As1 C28 C39 C14 -174.8(5) no . . .
C37 C28 C39 C14 2.1(11) no . . .
C39 C28 C37 C3 -1.9(11) no . . .
C11 C30 C38 C31 -2.3(14) no . . .
As2 C31 C33 C36 178.2(5) no . . .
As2 C31 C38 C30 -177.6(5) no . . .
C33 C31 C38 C30 1.9(12) no . . .
C38 C31 C33 C36 -1.3(12) no . . .
C31 C33 C36 C11 0.9(14) no . . .
C9 C34 C35 C19 2.6(16) no . . .
C9 C34 C35 C22 -179.0(9) no . . .
C18 C34 C35 C19 -176.2(8) no . . .
C18 C34 C35 C22 2.3(13) no . . .
C6 C42 C43 C6 -22(2) no 2_675 . .
C6 C42 C44 C6 0(2) no 2_675 2_675 2_675
C6 C42 C44 C6 -37(3) no 2_675 2_675 .
C6 C42 C44 C43 -116(9) no 2_675 2_675 .
C6 C43 C44 C6 -10(3) no . 2_675 2_675
C6 C43 C44 C6 0(2) no . 2_675 .
C6 C43 C44 C42 95(10) no . 2_675 .
