#------------------------------------------------------------------------------
#$Date: 2019-05-10 01:09:14 +0300 (Fri, 10 May 2019) $
#$Revision: 215019 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/34/7123420.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_7123420
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 F10 I2 Pt'
_chemical_formula_sum            'C36 H16 As2 F10 I2 Pt'
_chemical_formula_weight         1237.25
_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                   34.320(3)
_cell_length_b                   34.320(3)
_cell_length_c                   8.6005(10)
_cell_measurement_reflns_used    7893
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.14
_cell_volume                     8773.0(15)
_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 0.997
_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  0.1170
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            31212
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.527
_diffrn_reflns_theta_min         3.141
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.926
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5148.00
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.35
_refine_diff_density_min         -1.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     232
_refine_ls_number_reflns         4472
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0389P)²+12.6926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0881
_reflns_number_gt                3979
_reflns_number_total             4472
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c9cc02309g2.cif
_cod_data_source_block           5a
_cod_original_cell_volume        8772.9(14)
_cod_database_code               7123420
_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 0.5 0.03378(9) Uani 1 9 d .
I1 I 0.48615(2) 0.47813(2) 0.79022(3) 0.04860(10) Uani 1 18 d .
As1 As 0.49468(2) 0.43033(2) 0.42853(4) 0.03712(11) Uani 1 18 d .
F1 F 0.52439(11) 0.41480(13) 0.0870(3) 0.0697(9) Uani 1 18 d .
F2 F 0.60136(15) 0.42223(16) -0.0019(5) 0.1018(14) Uani 1 18 d .
F3 F 0.67201(14) 0.45325(18) 0.1979(6) 0.1191(17) Uani 1 18 d .
F4 F 0.66322(13) 0.4763(2) 0.4901(6) 0.1238(18) Uani 1 18 d .
F5 F 0.58468(12) 0.46700(15) 0.5840(4) 0.0860(11) Uani 1 18 d .
C1 C 0.44669(14) 0.38919(15) 0.2930(5) 0.0414(9) Uani 1 18 d .
C2 C 0.42428(15) 0.34646(15) 0.3605(5) 0.0447(10) Uani 1 18 d .
C3 C 0.44083(16) 0.34247(15) 0.5134(5) 0.0459(10) Uani 1 18 d .
C4 C 0.47824(16) 0.38067(15) 0.5709(5) 0.0434(9) Uani 1 18 d .
C5 C 0.55106(15) 0.43926(15) 0.3407(5) 0.0442(9) Uani 1 18 d .
C6 C 0.55747(16) 0.42924(16) 0.1917(6) 0.0485(10) Uani 1 18 d .
C7 C 0.5974(2) 0.43319(19) 0.1449(7) 0.0661(15) Uani 1 18 d .
C8 C 0.6330(2) 0.4494(2) 0.2435(9) 0.0774(18) Uani 1 18 d .
C9 C 0.62818(19) 0.4606(2) 0.3901(9) 0.0765(18) Uani 1 18 d .
C10 C 0.58812(18) 0.45574(19) 0.4369(7) 0.0603(13) Uani 1 18 d .
C11 C 0.4969(2) 0.38111(19) 0.7134(6) 0.0595(13) Uani 1 18 d .
C12 C 0.4777(3) 0.3416(2) 0.7990(7) 0.0747(17) Uani 1 18 d .
C13 C 0.4401(3) 0.3031(2) 0.7446(7) 0.0737(17) Uani 1 18 d .
C14 C 0.4219(2) 0.30277(18) 0.6035(7) 0.0631(14) Uani 1 18 d .
C15 C 0.3886(2) 0.31221(18) 0.2800(7) 0.0674(15) Uani 1 18 d .
C16 C 0.3760(2) 0.3209(2) 0.1380(8) 0.0797(19) Uani 1 18 d .
C17 C 0.3973(2) 0.3633(2) 0.0761(7) 0.0679(16) Uani 1 18 d .
C18 C 0.43322(17) 0.39799(18) 0.1519(5) 0.0542(12) Uani 1 18 d .
H11 H 0.52155 0.40717 0.75104 0.0714 Uiso 1 18 calc R
H12 H 0.49022 0.3409 0.89405 0.0896 Uiso 1 18 calc R
H13 H 0.42702 0.27726 0.8054 0.0884 Uiso 1 18 calc R
H14 H 0.3973 0.27655 0.5666 0.0758 Uiso 1 18 calc R
H15 H 0.37318 0.28337 0.32181 0.0808 Uiso 1 18 calc R
H16 H 0.3525 0.29758 0.08341 0.0956 Uiso 1 18 calc R
H17 H 0.38755 0.36866 -0.01808 0.0815 Uiso 1 18 calc R
H18 H 0.4481 0.42674 0.10925 0.0651 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)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
I I -0.4742 1.8119
;
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
I1 Pt1 I1 180.00(3) yes . 4_666
I1 Pt1 As1 92.695(19) yes . .
I1 Pt1 As1 87.305(19) yes . 4_666
I1 Pt1 As1 87.305(19) yes 4_666 .
I1 Pt1 As1 92.695(19) yes 4_666 4_666
As1 Pt1 As1 180.00(2) yes . 4_666
Pt1 As1 C1 119.84(18) yes . .
Pt1 As1 C4 124.12(15) yes . .
Pt1 As1 C5 111.65(14) yes . .
C1 As1 C4 88.38(18) yes . .
C1 As1 C5 107.3(2) yes . .
C4 As1 C5 102.3(2) yes . .
As1 C1 C2 109.7(3) yes . .
As1 C1 C18 128.6(3) yes . .
C2 C1 C18 121.7(4) yes . .
C1 C2 C3 115.8(3) yes . .
C1 C2 C15 118.1(5) yes . .
C3 C2 C15 126.0(4) yes . .
C2 C3 C4 116.7(4) yes . .
C2 C3 C14 124.7(4) yes . .
C4 C3 C14 118.5(5) yes . .
As1 C4 C3 109.3(4) yes . .
As1 C4 C11 128.5(3) yes . .
C3 C4 C11 122.1(4) yes . .
As1 C5 C6 126.3(4) yes . .
As1 C5 C10 118.0(4) yes . .
C6 C5 C10 115.6(5) yes . .
F1 C6 C5 120.6(5) yes . .
F1 C6 C7 117.5(5) yes . .
C5 C6 C7 121.8(5) yes . .
F2 C7 C6 119.0(5) yes . .
F2 C7 C8 120.3(7) yes . .
C6 C7 C8 120.6(6) yes . .
F3 C8 C7 120.6(7) yes . .
F3 C8 C9 120.3(6) yes . .
C7 C8 C9 119.1(7) yes . .
F4 C9 C8 119.7(7) yes . .
F4 C9 C10 120.2(7) yes . .
C8 C9 C10 120.1(6) yes . .
F5 C10 C5 119.1(6) yes . .
F5 C10 C9 118.2(5) yes . .
C5 C10 C9 122.7(6) yes . .
C4 C11 C12 118.1(5) yes . .
C11 C12 C13 120.9(6) yes . .
C12 C13 C14 120.9(6) yes . .
C3 C14 C13 119.5(5) yes . .
C2 C15 C16 120.0(5) yes . .
C15 C16 C17 121.1(5) yes . .
C16 C17 C18 120.5(6) yes . .
C1 C18 C17 118.6(5) yes . .
C4 C11 H11 120.952 no . .
C12 C11 H11 120.965 no . .
C11 C12 H12 119.580 no . .
C13 C12 H12 119.570 no . .
C12 C13 H13 119.590 no . .
C14 C13 H13 119.555 no . .
C3 C14 H14 120.230 no . .
C13 C14 H14 120.229 no . .
C2 C15 H15 120.017 no . .
C16 C15 H15 120.005 no . .
C15 C16 H16 119.475 no . .
C17 C16 H16 119.464 no . .
C16 C17 H17 119.715 no . .
C18 C17 H17 119.738 no . .
C1 C18 H18 120.715 no . .
C17 C18 H18 120.720 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 I1 2.5812(4) yes .
Pt1 I1 2.5812(4) yes 4_666
Pt1 As1 2.3857(7) yes .
Pt1 As1 2.3857(7) yes 4_666
As1 C1 1.934(4) yes .
As1 C4 1.939(5) yes .
As1 C5 1.953(5) yes .
F1 C6 1.335(6) yes .
F2 C7 1.344(8) yes .
F3 C8 1.336(9) yes .
F4 C9 1.352(8) yes .
F5 C10 1.345(7) yes .
C1 C2 1.397(6) yes .
C1 C18 1.385(7) yes .
C2 C3 1.466(7) yes .
C2 C15 1.386(6) yes .
C3 C4 1.389(5) yes .
C3 C14 1.412(7) yes .
C4 C11 1.379(7) yes .
C5 C6 1.373(7) yes .
C5 C10 1.380(7) yes .
C6 C7 1.368(9) yes .
C7 C8 1.358(9) yes .
C8 C9 1.352(11) yes .
C9 C10 1.361(10) yes .
C11 C12 1.385(8) yes .
C12 C13 1.388(8) yes .
C13 C14 1.361(9) yes .
C15 C16 1.378(10) yes .
C16 C17 1.367(9) yes .
C17 C18 1.376(7) 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 3.598(6) no 4_666
I1 C11 3.589(8) no .
As1 F1 3.239(3) no .
As1 F5 3.004(4) no .
F1 F2 2.637(7) no .
F1 C1 2.946(6) no .
F1 C8 3.563(8) no .
F1 C10 3.570(6) no .
F1 C18 2.937(7) no .
F2 F3 2.717(7) no .
F2 C9 3.568(9) no .
F3 F4 2.697(8) no .
F3 C6 3.591(8) no .
F3 C10 3.573(9) no .
F4 F5 2.675(7) no .
F4 C7 3.573(8) no .
F5 C4 3.363(5) no .
F5 C6 3.567(6) no .
F5 C8 3.563(9) no .
F5 C11 3.183(6) no .
C1 C6 3.446(7) no .
C1 C16 2.734(7) no .
C2 C17 2.776(8) no .
C3 C12 2.769(8) no .
C4 C10 3.531(6) no .
C4 C13 2.746(8) no .
C5 C8 2.784(9) no .
C6 C9 2.711(8) no .
C7 C10 2.693(9) no .
C11 C14 2.796(7) no .
C14 C15 3.086(9) no .
C15 C18 2.778(7) no .
F1 F4 2.948(6) no 18_545
F1 C11 3.386(6) no 1_554
F1 C12 3.315(7) no 1_554
F2 F4 3.366(7) no 18_545
F2 C12 3.475(10) no 17_555
F2 C13 3.324(11) no 17_555
F3 C4 3.595(9) no 17_555
F3 C10 3.575(7) no 17_555
F3 C11 3.592(9) no 17_555
F4 F1 2.948(6) no 17_555
F4 F2 3.366(7) no 17_555
F4 C6 2.986(6) no 17_555
F4 C7 3.204(7) no 17_555
F5 C13 3.525(8) no 17_556
C4 F3 3.595(9) no 18_545
C6 F4 2.986(6) no 18_545
C7 F4 3.204(7) no 18_545
C7 C13 3.466(11) no 17_555
C7 C14 3.527(10) no 17_555
C10 F3 3.575(7) no 18_545
C11 F1 3.386(6) no 1_556
C11 F3 3.592(9) no 18_545
C12 F1 3.315(7) no 1_556
C12 F2 3.475(10) no 18_545
C13 F2 3.324(11) no 18_545
C13 F5 3.525(8) no 18_546
C13 C7 3.466(11) no 18_545
C14 C7 3.527(10) no 18_545
I1 H11 3.2371 no .
I1 H18 3.0218 no 4_666
As1 H11 3.1478 no .
As1 H18 3.1487 no .
F1 H18 2.8518 no .
F5 H11 2.5546 no .
C1 H15 3.2332 no .
C1 H17 3.2161 no .
C2 H14 2.7448 no .
C2 H16 3.2296 no .
C2 H18 3.2676 no .
C3 H11 3.2603 no .
C3 H13 3.2369 no .
C3 H15 2.7407 no .
C4 H12 3.2118 no .
C4 H14 3.2497 no .
C10 H11 3.3893 no .
C11 H13 3.2451 no .
C12 H14 3.2299 no .
C13 H11 3.2538 no .
C14 H12 3.2222 no .
C14 H15 2.8281 no .
C15 H14 2.8336 no .
C15 H17 3.2242 no .
C16 H18 3.2237 no .
C17 H15 3.2250 no .
C18 H16 3.2171 no .
H11 H12 2.3230 no .
H12 H13 2.3063 no .
H13 H14 2.2878 no .
H14 H15 2.3165 no .
H15 H16 2.3004 no .
H16 H17 2.2859 no .
H17 H18 2.3127 no .
I1 H14 3.1167 no 8_555
I1 H15 3.2726 no 8_555
I1 H18 3.1688 no 1_556
F1 H11 2.8988 no 1_554
F1 H12 2.7547 no 1_554
F2 H11 3.2967 no 1_554
F2 H12 3.5347 no 1_554
F2 H12 3.5366 no 17_555
F2 H13 3.3186 no 17_555
F4 H12 2.7377 no 17_556
F5 H12 3.1230 no 17_556
F5 H13 2.8086 no 17_556
C1 H16 2.8534 no 8_555
C2 H16 2.9319 no 8_555
C6 H14 3.5620 no 17_555
C14 H17 3.3801 no 15_555
C15 H16 3.2232 no 8_555
C16 H16 3.4191 no 8_555
C17 H14 3.5835 no 8_554
C17 H16 3.3302 no 8_555
C18 H16 3.0676 no 8_555
H11 F1 2.8988 no 1_556
H11 F2 3.2967 no 1_556
H11 H13 3.5933 no 17_556
H12 F1 2.7547 no 1_556
H12 F2 3.5347 no 1_556
H12 F2 3.5366 no 18_545
H12 F4 2.7377 no 18_546
H12 F5 3.1230 no 18_546
H13 F2 3.3186 no 18_545
H13 F5 2.8086 no 18_546
H13 H11 3.5933 no 18_546
H13 H18 3.4290 no 15_555
H14 I1 3.1167 no 15_554
H14 C6 3.5620 no 18_545
H14 C17 3.5835 no 15_555
H14 H17 2.9735 no 15_555
H14 H18 3.1542 no 15_555
H15 I1 3.2726 no 15_554
H15 H17 3.4189 no 15_555
H16 C1 2.8534 no 15_554
H16 C2 2.9319 no 15_554
H16 C15 3.2232 no 15_554
H16 C16 3.4191 no 15_554
H16 C17 3.3302 no 15_554
H16 C18 3.0676 no 15_554
H16 H18 3.5370 no 15_554
H17 C14 3.3801 no 8_554
H17 H14 2.9735 no 8_554
H17 H15 3.4189 no 8_554
H18 I1 3.1688 no 1_554
H18 H13 3.4290 no 8_554
H18 H14 3.1542 no 8_554
H18 H16 3.5370 no 8_555
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
I1 Pt1 As1 C1 116.12(2) no . . .
I1 Pt1 As1 C4 5.68(4) no . . .
I1 Pt1 As1 C5 -117.33(2) no . . .
I1 Pt1 As1 C1 63.88(2) no . 4_666 4_666
I1 Pt1 As1 C4 174.32(4) no . 4_666 4_666
I1 Pt1 As1 C5 -62.67(2) no . 4_666 4_666
I1 Pt1 As1 C1 -63.88(2) no 4_666 . .
I1 Pt1 As1 C4 -174.32(4) no 4_666 . .
I1 Pt1 As1 C5 62.67(2) no 4_666 . .
I1 Pt1 As1 C1 -116.12(2) no 4_666 4_666 4_666
I1 Pt1 As1 C4 -5.68(4) no 4_666 4_666 4_666
I1 Pt1 As1 C5 117.33(2) no 4_666 4_666 4_666
Pt1 As1 C1 C2 -128.1(3) no . . .
Pt1 As1 C1 C18 49.9(5) no . . .
Pt1 As1 C4 C3 122.9(3) no . . .
Pt1 As1 C4 C11 -52.8(5) no . . .
Pt1 As1 C5 C6 -116.3(3) no . . .
Pt1 As1 C5 C10 66.1(4) no . . .
C1 As1 C4 C3 -2.7(4) no . . .
C1 As1 C4 C11 -178.4(5) no . . .
C4 As1 C1 C2 1.0(3) no . . .
C4 As1 C1 C18 178.9(5) no . . .
C1 As1 C5 C6 16.9(5) no . . .
C1 As1 C5 C10 -160.7(3) no . . .
C5 As1 C1 C2 103.4(3) no . . .
C5 As1 C1 C18 -78.7(5) no . . .
C4 As1 C5 C6 109.0(4) no . . .
C4 As1 C5 C10 -68.6(4) no . . .
C5 As1 C4 C3 -110.0(3) no . . .
C5 As1 C4 C11 74.3(5) no . . .
As1 C1 C2 C3 0.9(6) no . . .
As1 C1 C2 C15 -180.0(3) no . . .
As1 C1 C18 C17 -178.9(4) no . . .
C2 C1 C18 C17 -1.2(9) no . . .
C18 C1 C2 C3 -177.2(5) no . . .
C18 C1 C2 C15 1.9(8) no . . .
C1 C2 C3 C4 -3.3(8) no . . .
C1 C2 C3 C14 177.7(5) no . . .
C1 C2 C15 C16 -0.4(9) no . . .
C3 C2 C15 C16 178.6(5) no . . .
C15 C2 C3 C4 177.6(6) no . . .
C15 C2 C3 C14 -1.3(10) no . . .
C2 C3 C4 As1 3.9(7) no . . .
C2 C3 C4 C11 179.9(5) no . . .
C2 C3 C14 C13 -179.6(5) no . . .
C4 C3 C14 C13 1.4(10) no . . .
C14 C3 C4 As1 -177.1(5) no . . .
C14 C3 C4 C11 -1.1(9) no . . .
As1 C4 C11 C12 176.4(4) no . . .
C3 C4 C11 C12 1.3(10) no . . .
As1 C5 C6 F1 5.1(7) no . . .
As1 C5 C6 C7 -174.3(3) no . . .
As1 C5 C10 F5 -3.2(7) no . . .
As1 C5 C10 C9 175.9(4) no . . .
C6 C5 C10 F5 179.0(5) no . . .
C6 C5 C10 C9 -2.0(8) no . . .
C10 C5 C6 F1 -177.3(5) no . . .
C10 C5 C6 C7 3.3(7) no . . .
F1 C6 C7 F2 -0.4(8) no . . .
F1 C6 C7 C8 177.4(5) no . . .
C5 C6 C7 F2 179.0(5) no . . .
C5 C6 C7 C8 -3.2(8) no . . .
F2 C7 C8 F3 -2.2(10) no . . .
F2 C7 C8 C9 179.3(5) no . . .
C6 C7 C8 F3 -180.0(5) no . . .
C6 C7 C8 C9 1.5(10) no . . .
F3 C8 C9 F4 0.8(11) no . . .
F3 C8 C9 C10 -178.7(6) no . . .
C7 C8 C9 F4 179.4(6) no . . .
C7 C8 C9 C10 -0.2(11) no . . .
F4 C9 C10 F5 -0.0(10) no . . .
F4 C9 C10 C5 -179.1(6) no . . .
C8 C9 C10 F5 179.5(6) no . . .
C8 C9 C10 C5 0.5(11) no . . .
C4 C11 C12 C13 -1.8(12) no . . .
C11 C12 C13 C14 2.3(13) no . . .
C12 C13 C14 C3 -2.0(13) no . . .
C2 C15 C16 C17 -1.7(11) no . . .
C15 C16 C17 C18 2.5(12) no . . .
C16 C17 C18 C1 -1.0(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 -0.010 390 58 ' '
2 0.333 0.667 0.251 392 58 ' '
3 0.667 0.333 -0.081 392 58 ' '
