#------------------------------------------------------------------------------
#$Date: 2019-05-10 01:09:14 +0300 (Fri, 10 May 2019) $
#$Revision: 215019 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/34/7123419.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_7123419
loop_
_publ_author_name
'Sasaki, Hiroshi'
'Imoto, Hiroaki'
'Kitao, Takashi'
'Uemura, Takashi'
'Yumura, Takashi'
'Naka, Kensuke'
_publ_section_title
;
 Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching
 of Luminescence and Porosity
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02309G
_journal_year                    2019
_chemical_formula_moiety         'C36 H16 As2 Cl2 F10 Pt'
_chemical_formula_sum            'C36 H16 As2 Cl2 F10 Pt'
_chemical_formula_weight         1054.35
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-02-18 deposited with the CCDC.    2019-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            9
_cell_length_a                   33.6076(16)
_cell_length_b                   33.6076(16)
_cell_length_c                   8.2710(5)
_cell_measurement_reflns_used    6702
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.08
_cell_volume                     8090.3(7)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 13.653
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1521
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            28815
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         3.081
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.940
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4500.00
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.39
_refine_diff_density_min         -2.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     232
_refine_ls_number_reflns         4115
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0400P)²+5.9684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                3595
_reflns_number_total             4115
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c9cc02309g2.cif
_cod_data_source_block           4
_cod_original_cell_volume        8090.3(8)
_cod_database_code               7123419
_platon_squeeze_void_probe_radius 1.20
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -Y,+X-Y,+Z
3 -X+Y,-X,+Z
4 -X,-Y,-Z
5 +Y,-X+Y,-Z
6 +X-Y,+X,-Z
7 2/3+X,1/3+Y,1/3+Z
8 2/3-Y,1/3+X-Y,1/3+Z
9 2/3-X+Y,1/3-X,1/3+Z
10 2/3-X,1/3-Y,1/3-Z
11 2/3+Y,1/3-X+Y,1/3-Z
12 2/3+X-Y,1/3+X,1/3-Z
13 1/3+X,2/3+Y,2/3+Z
14 1/3-Y,2/3+X-Y,2/3+Z
15 1/3-X+Y,2/3-X,2/3+Z
16 1/3-X,2/3-Y,2/3-Z
17 1/3+Y,2/3-X+Y,2/3-Z
18 1/3+X-Y,2/3+X,2/3-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 0.5 0.5 1.0 0.03009(10) Uani 1 9 d .
As1 As 0.49401(2) 0.42921(2) 0.91729(5) 0.03103(13) Uani 1 18 d .
Cl3 Cl 0.51260(5) 0.52125(5) 0.73286(13) 0.0491(3) Uani 1 18 d .
F1 F 0.58215(11) 0.46157(14) 1.0994(4) 0.0712(10) Uani 1 18 d .
F2 F 0.66294(13) 0.46914(19) 1.0178(6) 0.1063(17) Uani 1 18 d .
F3 F 0.67672(13) 0.44977(16) 0.7096(7) 0.0975(15) Uani 1 18 d .
F4 F 0.60929(14) 0.42368(14) 0.4875(5) 0.0834(12) Uani 1 18 d .
F5 F 0.52965(12) 0.41738(14) 0.5655(4) 0.0637(9) Uani 1 18 d .
C1 C 0.47319(16) 0.37666(16) 1.0585(5) 0.0355(9) Uani 1 18 d .
C2 C 0.43676(16) 0.33801(16) 0.9868(6) 0.0362(9) Uani 1 18 d .
C3 C 0.42361(15) 0.34524(16) 0.8240(6) 0.0372(10) Uani 1 18 d .
C4 C 0.44807(14) 0.39016(15) 0.7634(5) 0.0342(9) Uani 1 18 d .
C5 C 0.55277(16) 0.43834(16) 0.8374(6) 0.0374(10) Uani 1 18 d .
C6 C 0.58846(19) 0.4526(2) 0.9458(7) 0.0514(13) Uani 1 18 d .
C7 C 0.62984(19) 0.4566(2) 0.9058(9) 0.0634(16) Uani 1 18 d .
C8 C 0.63672(19) 0.4463(2) 0.7521(9) 0.0608(16) Uani 1 18 d .
C9 C 0.6026(2) 0.43318(19) 0.6379(8) 0.0564(14) Uani 1 18 d .
C10 C 0.56172(17) 0.43015(16) 0.6814(6) 0.0418(11) Uani 1 18 d .
C11 C 0.43735(17) 0.40215(18) 0.6152(6) 0.0432(11) Uani 1 18 d .
C12 C 0.40190(19) 0.3683(2) 0.5246(7) 0.0530(14) Uani 1 18 d .
C13 C 0.3780(2) 0.3234(2) 0.5825(7) 0.0573(15) Uani 1 18 d .
C14 C 0.38783(18) 0.31176(19) 0.7288(7) 0.0525(13) Uani 1 18 d .
C15 C 0.41626(19) 0.29673(17) 1.0717(7) 0.0487(12) Uani 1 18 d .
C16 C 0.4314(2) 0.2951(2) 1.2247(7) 0.0574(15) Uani 1 18 d .
C17 C 0.4677(2) 0.3336(2) 1.2948(6) 0.0561(14) Uani 1 18 d .
C18 C 0.48857(19) 0.37505(18) 1.2130(6) 0.0454(11) Uani 1 18 d .
H11 H 0.45363 0.43226 0.5779 0.0518 Uiso 1 18 calc R
H12 H 0.3941 0.37547 0.42532 0.0636 Uiso 1 18 calc R
H13 H 0.35478 0.30079 0.51968 0.0688 Uiso 1 18 calc R
H14 H 0.37085 0.28166 0.7658 0.0630 Uiso 1 18 calc R
H15 H 0.39243 0.27036 1.02518 0.0585 Uiso 1 18 calc R
H16 H 0.41698 0.26767 1.28223 0.0689 Uiso 1 18 calc R
H17 H 0.478 0.33155 1.39707 0.0674 Uiso 1 18 calc R
H18 H 0.51239 0.40125 1.26033 0.0545 Uiso 1 18 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)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
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)
;
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 As1 180.00(3) yes . 4_667
As1 Pt1 Cl3 86.83(5) yes . .
As1 Pt1 Cl3 93.17(5) yes . 4_667
As1 Pt1 Cl3 93.17(5) yes 4_667 .
As1 Pt1 Cl3 86.83(5) yes 4_667 4_667
Cl3 Pt1 Cl3 180.00(8) yes . 4_667
Pt1 As1 C1 123.32(16) yes . .
Pt1 As1 C4 120.59(18) yes . .
Pt1 As1 C5 111.43(14) yes . .
C1 As1 C4 88.63(19) yes . .
C1 As1 C5 102.9(2) yes . .
C4 As1 C5 106.7(2) yes . .
As1 C1 C2 110.0(3) yes . .
As1 C1 C18 128.3(3) yes . .
C2 C1 C18 121.7(4) yes . .
C1 C2 C3 115.5(4) yes . .
C1 C2 C15 118.7(5) yes . .
C3 C2 C15 125.8(4) yes . .
C2 C3 C4 116.2(4) yes . .
C2 C3 C14 125.9(4) yes . .
C4 C3 C14 117.9(5) yes . .
As1 C4 C3 109.7(3) yes . .
As1 C4 C11 128.3(3) yes . .
C3 C4 C11 121.9(4) yes . .
As1 C5 C6 118.0(4) yes . .
As1 C5 C10 125.9(4) yes . .
C6 C5 C10 116.0(5) yes . .
F1 C6 C5 119.0(6) yes . .
F1 C6 C7 118.2(5) yes . .
C5 C6 C7 122.8(6) yes . .
F2 C7 C6 120.3(6) yes . .
F2 C7 C8 120.2(6) yes . .
C6 C7 C8 119.4(6) yes . .
F3 C8 C7 120.8(6) yes . .
F3 C8 C9 119.2(7) yes . .
C7 C8 C9 120.0(7) yes . .
F4 C9 C8 120.3(6) yes . .
F4 C9 C10 120.6(5) yes . .
C8 C9 C10 119.0(6) yes . .
F5 C10 C5 120.7(5) yes . .
F5 C10 C9 116.7(5) yes . .
C5 C10 C9 122.6(5) yes . .
C4 C11 C12 118.6(5) yes . .
C11 C12 C13 119.8(6) yes . .
C12 C13 C14 121.8(5) yes . .
C3 C14 C13 120.0(5) yes . .
C2 C15 C16 119.7(4) yes . .
C15 C16 C17 121.2(5) yes . .
C16 C17 C18 120.2(5) yes . .
C1 C18 C17 118.5(4) yes . .
C4 C11 H11 120.694 no . .
C12 C11 H11 120.701 no . .
C11 C12 H12 120.123 no . .
C13 C12 H12 120.102 no . .
C12 C13 H13 119.114 no . .
C14 C13 H13 119.127 no . .
C3 C14 H14 120.001 no . .
C13 C14 H14 119.986 no . .
C2 C15 H15 120.144 no . .
C16 C15 H15 120.159 no . .
C15 C16 H16 119.380 no . .
C17 C16 H16 119.375 no . .
C16 C17 H17 119.925 no . .
C18 C17 H17 119.917 no . .
C1 C18 H18 120.752 no . .
C17 C18 H18 120.732 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 2.3853(7) yes .
Pt1 As1 2.3853(7) yes 4_667
Pt1 Cl3 2.2954(11) yes .
Pt1 Cl3 2.2954(11) yes 4_667
As1 C1 1.933(5) yes .
As1 C4 1.923(4) yes .
As1 C5 1.956(6) yes .
F1 C6 1.347(7) yes .
F2 C7 1.343(8) yes .
F3 C8 1.338(9) yes .
F4 C9 1.331(8) yes .
F5 C10 1.343(6) yes .
C1 C2 1.396(6) yes .
C1 C18 1.389(7) yes .
C2 C3 1.474(7) yes .
C2 C15 1.392(7) yes .
C3 C4 1.402(6) yes .
C3 C14 1.407(6) yes .
C4 C11 1.393(7) yes .
C5 C6 1.377(8) yes .
C5 C10 1.384(7) yes .
C6 C7 1.370(10) yes .
C7 C8 1.366(11) yes .
C8 C9 1.377(9) yes .
C9 C10 1.374(9) yes .
C11 C12 1.386(7) yes .
C12 C13 1.391(8) yes .
C13 C14 1.362(9) yes .
C15 C16 1.375(9) yes .
C16 C17 1.385(7) yes .
C17 C18 1.383(8) yes .
C11 H11 0.930 no .
C12 H12 0.930 no .
C13 H13 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 .
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
Pt1 C5 3.595(6) no 4_667
As1 F1 3.001(4) no .
As1 F5 3.246(4) no .
Cl3 C18 3.533(7) no 4_667
F1 F2 2.683(7) no .
F1 C1 3.349(5) no .
F1 C8 3.580(8) no .
F1 C10 3.580(6) no .
F1 C18 3.176(5) no .
F2 F3 2.727(8) no .
F3 F4 2.701(6) no .
F3 C6 3.592(9) no .
F3 C10 3.589(8) no .
F4 F5 2.657(7) no .
F4 C7 3.593(8) no .
F5 C4 2.920(6) no .
F5 C6 3.586(6) no .
F5 C8 3.574(8) no .
F5 C11 2.910(7) no .
C1 C6 3.536(7) no .
C1 C16 2.743(7) no .
C2 C17 2.783(8) no .
C3 C12 2.798(8) no .
C4 C10 3.424(7) no .
C4 C13 2.744(6) no .
C5 C8 2.788(9) no .
C6 C9 2.729(9) no .
C7 C10 2.728(8) no .
C11 C14 2.797(7) no .
C14 C15 3.113(9) no .
C15 C18 2.793(6) no .
F1 C16 3.493(8) no 17_557
F1 C17 3.478(7) no 17_557
F2 F4 3.267(6) no 17_556
F2 F5 2.989(6) no 17_556
F2 C9 3.119(7) no 17_556
F2 C10 2.986(6) no 17_556
F2 C17 3.586(9) no 17_557
F3 C5 3.469(7) no 17_556
F3 C6 3.302(8) no 17_556
F3 C7 3.350(7) no 17_556
F3 C8 3.543(8) no 17_556
F4 F2 3.267(6) no 18_546
F4 C16 3.333(10) no 17_556
F4 C17 3.313(9) no 17_556
F5 F2 2.989(6) no 18_546
F5 C17 3.379(6) no 1_554
F5 C18 3.235(6) no 1_554
C5 F3 3.469(7) no 18_546
C6 F3 3.302(8) no 18_546
C7 F3 3.350(7) no 18_546
C8 F3 3.543(8) no 18_546
C9 F2 3.119(7) no 18_546
C9 C15 3.480(10) no 17_556
C9 C16 3.349(10) no 17_556
C10 F2 2.986(6) no 18_546
C10 C15 3.495(9) no 17_556
C10 C16 3.570(9) no 17_556
C12 C17 3.525(11) no 1_554
C15 C9 3.480(10) no 18_546
C15 C10 3.495(9) no 18_546
C16 F1 3.493(8) no 18_547
C16 F4 3.333(10) no 18_546
C16 C9 3.349(10) no 18_546
C16 C10 3.570(9) no 18_546
C17 F1 3.478(7) no 18_547
C17 F2 3.586(9) no 18_547
C17 F4 3.313(9) no 18_546
C17 F5 3.379(6) no 1_556
C17 C12 3.525(11) no 1_556
C18 F5 3.235(6) no 1_556
As1 H11 3.1418 no .
As1 H18 3.1457 no .
Cl3 H11 2.9305 no .
Cl3 H18 3.1113 no 4_667
F1 H18 2.5741 no .
F5 H11 2.8400 no .
C1 H15 3.2418 no .
C1 H17 3.2264 no .
C2 H14 2.7637 no .
C2 H16 3.2298 no .
C2 H18 3.2704 no .
C3 H11 3.2809 no .
C3 H13 3.2348 no .
C3 H15 2.7499 no .
C4 H12 3.2340 no .
C4 H14 3.2509 no .
C6 H18 3.4454 no .
C11 H13 3.2367 no .
C12 H14 3.2409 no .
C13 H11 3.2472 no .
C14 H12 3.2371 no .
C14 H15 2.8606 no .
C15 H14 2.8660 no .
C15 H17 3.2386 no .
C16 H18 3.2419 no .
C17 H15 3.2415 no .
C18 H16 3.2338 no .
H11 H12 2.3280 no .
H12 H13 2.3104 no .
H13 H14 2.2795 no .
H14 H15 2.3554 no .
H15 H16 2.2986 no .
H16 H17 2.3052 no .
H17 H18 2.3226 no .
Pt1 H14 3.5107 no 8_555
Pt1 H14 3.5107 no 17_556
Cl3 H11 2.9262 no 4_666
Cl3 H12 3.5648 no 4_666
Cl3 H14 3.2925 no 17_556
Cl3 H15 2.8561 no 17_556
Cl3 H16 3.4997 no 8_554
F1 H16 2.8789 no 17_557
F1 H17 2.8492 no 17_557
F2 H17 2.6787 no 17_557
F4 H16 3.4047 no 17_556
F4 H17 3.3469 no 17_556
F4 H18 3.4997 no 1_554
F5 H16 3.3503 no 17_556
F5 H17 2.8752 no 1_554
F5 H18 2.5856 no 1_554
C3 H13 2.9269 no 8_555
C4 H13 2.8151 no 8_555
C5 H15 3.4922 no 17_556
C7 H17 3.5350 no 17_557
C9 H16 3.5427 no 17_556
C10 H15 3.3863 no 17_556
C10 H16 3.5349 no 17_556
C11 H13 2.9477 no 8_555
C11 H15 3.4761 no 8_554
C11 H16 3.5308 no 8_554
C12 H13 3.1673 no 8_555
C12 H15 3.3240 no 8_554
C12 H17 3.5115 no 1_554
C13 H13 3.2656 no 8_555
C13 H17 3.5769 no 1_554
C14 H13 3.1500 no 8_555
C15 H11 3.5189 no 15_555
C15 H12 3.0927 no 15_555
C16 H11 3.5598 no 15_555
C17 H12 3.5690 no 1_556
H11 Cl3 2.9262 no 4_666
H11 C15 3.5189 no 8_554
H11 C16 3.5598 no 8_554
H11 H13 3.4209 no 8_555
H11 H15 3.0178 no 8_554
H11 H16 3.0732 no 8_554
H12 Cl3 3.5648 no 4_666
H12 C15 3.0927 no 8_554
H12 C17 3.5690 no 1_554
H12 H14 3.2181 no 8_554
H12 H15 2.7071 no 8_554
H13 C3 2.9269 no 15_554
H13 C4 2.8151 no 15_554
H13 C11 2.9477 no 15_554
H13 C12 3.1673 no 15_554
H13 C13 3.2656 no 15_554
H13 C14 3.1500 no 15_554
H13 H11 3.4209 no 15_554
H13 H16 3.4340 no 1_554
H14 Pt1 3.5107 no 15_554
H14 Cl3 3.2925 no 18_546
H14 H12 3.2181 no 15_555
H15 Cl3 2.8561 no 18_546
H15 C5 3.4922 no 18_546
H15 C10 3.3863 no 18_546
H15 C11 3.4761 no 15_555
H15 C12 3.3240 no 15_555
H15 H11 3.0178 no 15_555
H15 H12 2.7071 no 15_555
H16 Cl3 3.4997 no 15_555
H16 F1 2.8789 no 18_547
H16 F4 3.4047 no 18_546
H16 F5 3.3503 no 18_546
H16 C9 3.5427 no 18_546
H16 C10 3.5349 no 18_546
H16 C11 3.5308 no 15_555
H16 H11 3.0732 no 15_555
H16 H13 3.4340 no 1_556
H17 F1 2.8492 no 18_547
H17 F2 2.6787 no 18_547
H17 F4 3.3469 no 18_546
H17 F5 2.8752 no 1_556
H17 C7 3.5350 no 18_547
H17 C12 3.5115 no 1_556
H17 C13 3.5769 no 1_556
H18 F4 3.4997 no 1_556
H18 F5 2.5856 no 1_556
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
Cl3 Pt1 As1 C1 -170.33(5) no . . .
Cl3 Pt1 As1 C4 -59.51(4) no . . .
Cl3 Pt1 As1 C5 66.64(4) no . . .
Cl3 Pt1 As1 C1 9.67(5) no 4_667 . .
Cl3 Pt1 As1 C4 120.49(4) no 4_667 . .
Cl3 Pt1 As1 C5 -113.36(4) no 4_667 . .
Cl3 Pt1 As1 C1 -9.67(5) no . 4_667 4_667
Cl3 Pt1 As1 C4 -120.49(4) no . 4_667 4_667
Cl3 Pt1 As1 C5 113.36(4) no . 4_667 4_667
Cl3 Pt1 As1 C1 170.33(5) no 4_667 4_667 4_667
Cl3 Pt1 As1 C4 59.51(4) no 4_667 4_667 4_667
Cl3 Pt1 As1 C5 -66.64(4) no 4_667 4_667 4_667
Pt1 As1 C1 C2 125.8(3) no . . .
Pt1 As1 C1 C18 -51.0(5) no . . .
Pt1 As1 C4 C3 -129.2(3) no . . .
Pt1 As1 C4 C11 48.6(5) no . . .
Pt1 As1 C5 C6 66.3(4) no . . .
Pt1 As1 C5 C10 -116.2(4) no . . .
C1 As1 C4 C3 -0.5(3) no . . .
C1 As1 C4 C11 177.2(5) no . . .
C4 As1 C1 C2 -0.6(4) no . . .
C4 As1 C1 C18 -177.4(5) no . . .
C1 As1 C5 C6 -67.8(4) no . . .
C1 As1 C5 C10 109.7(4) no . . .
C5 As1 C1 C2 -107.3(3) no . . .
C5 As1 C1 C18 75.8(5) no . . .
C4 As1 C5 C6 -160.2(3) no . . .
C4 As1 C5 C10 17.3(5) no . . .
C5 As1 C4 C3 102.5(3) no . . .
C5 As1 C4 C11 -79.8(5) no . . .
As1 C1 C2 C3 1.5(6) no . . .
As1 C1 C2 C15 -178.6(4) no . . .
As1 C1 C18 C17 178.1(4) no . . .
C2 C1 C18 C17 1.6(10) no . . .
C18 C1 C2 C3 178.6(5) no . . .
C18 C1 C2 C15 -1.5(9) no . . .
C1 C2 C3 C4 -2.1(8) no . . .
C1 C2 C3 C14 -179.3(5) no . . .
C1 C2 C15 C16 1.6(9) no . . .
C3 C2 C15 C16 -178.5(5) no . . .
C15 C2 C3 C4 178.0(6) no . . .
C15 C2 C3 C14 0.9(10) no . . .
C2 C3 C4 As1 1.5(6) no . . .
C2 C3 C4 C11 -176.4(5) no . . .
C2 C3 C14 C13 177.4(5) no . . .
C4 C3 C14 C13 0.3(9) no . . .
C14 C3 C4 As1 178.9(5) no . . .
C14 C3 C4 C11 1.1(8) no . . .
As1 C4 C11 C12 -178.6(4) no . . .
C3 C4 C11 C12 -1.1(9) no . . .
As1 C5 C6 F1 -2.9(7) no . . .
As1 C5 C6 C7 174.7(4) no . . .
As1 C5 C10 F5 4.4(7) no . . .
As1 C5 C10 C9 -173.6(3) no . . .
C6 C5 C10 F5 -178.1(5) no . . .
C6 C5 C10 C9 3.9(7) no . . .
C10 C5 C6 F1 179.4(5) no . . .
C10 C5 C6 C7 -3.0(8) no . . .
F1 C6 C7 F2 -0.1(9) no . . .
F1 C6 C7 C8 178.0(5) no . . .
C5 C6 C7 F2 -177.7(5) no . . .
C5 C6 C7 C8 0.4(10) no . . .
F2 C7 C8 F3 -1.7(10) no . . .
F2 C7 C8 C9 179.6(6) no . . .
C6 C7 C8 F3 -179.8(6) no . . .
C6 C7 C8 C9 1.5(10) no . . .
F3 C8 C9 F4 0.5(9) no . . .
F3 C8 C9 C10 -179.3(5) no . . .
C7 C8 C9 F4 179.2(6) no . . .
C7 C8 C9 C10 -0.6(9) no . . .
F4 C9 C10 F5 -0.1(8) no . . .
F4 C9 C10 C5 178.0(4) no . . .
C8 C9 C10 F5 179.7(5) no . . .
C8 C9 C10 C5 -2.2(8) no . . .
C4 C11 C12 C13 -0.1(10) no . . .
C11 C12 C13 C14 1.5(11) no . . .
C12 C13 C14 C3 -1.5(11) no . . .
C2 C15 C16 C17 -1.9(11) no . . .
C15 C16 C17 C18 2.0(12) no . . .
C16 C17 C18 C1 -1.8(11) no . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.006 267 31 ' '
2 0.333 0.667 0.715 266 31 ' '
3 0.667 0.333 0.382 266 31 ' '
