#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/30/4303054.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_4303054
loop_
_publ_author_name
'Yuichi Shimazaki'
'T. Daniel P. Stack'
'Tim Storr'
_publ_contact_author_email       ' tim_storr@sfu.ca'
_publ_contact_author_fax         ' 778-782-3765 '
_publ_contact_author_name        ' Tim Storr'
_publ_section_title
;
Detailed Evaluation of the Geometric and Electronic Structures of
One-Electron Oxidized Group 10 (Ni, Pd, and Pt)
Metal(II)-(Disalicylidene)diamine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8383
_journal_page_last               8392
_journal_paper_doi               10.1021/ic901003q
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C33 H48 Cl2 F6 N2 O2 Pt Sb'
_chemical_formula_weight         1006.49
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                123.04(3)
_cell_angle_beta                 89.59(4)
_cell_angle_gamma                112.12(4)
_cell_formula_units_Z            2
_cell_length_a                   11.414(5)
_cell_length_b                   15.075(7)
_cell_length_c                   15.294(8)
_cell_measurement_reflns_used    18531
_cell_measurement_temperature    133.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1976(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9832
_diffrn_measured_fraction_theta_max 0.9832
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.101
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18722
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.397
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         3.15
_refine_diff_density_min         -3.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.812
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     424
_refine_ls_number_reflns         8895
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          0.0122
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.05000(Max(Fo²,0) + 2Fc²)/3)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2086
_reflns_number_gt                7982
_reflns_number_total             8895
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic901003q_si_003_3.cif
_cod_data_source_block           SHIMAZAKI
_cod_original_cell_volume        1976(4)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C33 H48 Cl2 F6 N2 O2 Pt Sb '
_cod_database_code               4303054
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.41495(3) 0.03282(2) 0.42199(2) 0.01515(9) Uani 1.00 d . . .
Sb(1) Sb 0.16210(5) 0.32560(4) 0.66209(4) 0.0204(1) Uani 1.00 d . . .
Cl(1) Cl 0.0824(4) 0.0300(3) 0.7490(3) 0.072(1) Uani 1.00 d . . .
Cl(2) Cl -0.1715(4) 0.0119(3) 0.7928(4) 0.080(1) Uani 1.00 d . . .
F(1) F 0.1147(6) 0.4358(5) 0.7694(4) 0.033(1) Uani 1.00 d . . .
F(2) F 0.0448(6) 0.3024(5) 0.5581(4) 0.038(2) Uani 1.00 d . . .
F(3) F 0.0263(6) 0.2046(5) 0.6611(5) 0.037(2) Uani 1.00 d . . .
F(4) F 0.2051(6) 0.2107(5) 0.5526(4) 0.037(1) Uani 1.00 d . . .
F(5) F 0.2770(6) 0.3457(5) 0.7652(4) 0.032(1) Uani 1.00 d . . .
F(6) F 0.2975(6) 0.4432(5) 0.6622(4) 0.034(1) Uani 1.00 d . . .
O(1) O 0.5534(6) 0.1511(5) 0.4116(4) 0.019(1) Uani 1.00 d . . .
O(2) O 0.4068(6) -0.0922(5) 0.2726(5) 0.021(1) Uani 1.00 d . . .
N(1) N 0.4193(7) 0.1511(6) 0.5673(6) 0.020(2) Uani 1.00 d . . .
N(2) N 0.2793(7) -0.0791(6) 0.4355(5) 0.018(2) Uani 1.00 d . . .
C(1) C 0.5985(8) 0.2661(7) 0.4762(6) 0.018(2) Uani 1.00 d . . .
C(2) C 0.6851(8) 0.3363(7) 0.4448(6) 0.018(2) Uani 1.00 d . . .
C(3) C 0.7210(8) 0.4557(7) 0.5077(6) 0.019(2) Uani 1.00 d . . .
C(4) C 0.6808(8) 0.5145(6) 0.6051(6) 0.018(2) Uani 1.00 d . . .
C(5) C 0.6042(8) 0.4469(7) 0.6368(6) 0.022(2) Uani 1.00 d . . .
C(6) C 0.5616(8) 0.3239(6) 0.5757(6) 0.018(2) Uani 1.00 d . . .
C(7) C 0.4812(8) 0.2652(7) 0.6179(6) 0.017(2) Uani 1.00 d . . .
C(8) C 0.3409(8) 0.1001(7) 0.6202(6) 0.017(2) Uani 1.00 d . . .
C(9) C 0.2307(9) -0.0189(7) 0.5335(6) 0.023(2) Uani 1.00 d . . .
C(10) C 0.2322(8) -0.1924(7) 0.3726(6) 0.018(2) Uani 1.00 d . . .
C(11) C 0.2616(8) -0.2571(6) 0.2713(6) 0.016(2) Uani 1.00 d . . .
C(12) C 0.3402(8) -0.2054(7) 0.2235(6) 0.018(2) Uani 1.00 d . . .
C(13) C 0.3506(8) -0.2830(7) 0.1148(6) 0.019(2) Uani 1.00 d . . .
C(14) C 0.2815(8) -0.4035(7) 0.0659(6) 0.022(2) Uani 1.00 d . . .
C(15) C 0.2080(8) -0.4551(6) 0.1122(6) 0.019(2) Uani 1.00 d . . .
C(16) C 0.1959(8) -0.3809(7) 0.2156(6) 0.019(2) Uani 1.00 d . . .
C(17) C 0.7318(9) 0.2774(7) 0.3408(6) 0.023(2) Uani 1.00 d . . .
C(18) C 0.610(1) 0.1925(9) 0.2400(7) 0.031(2) Uani 1.00 d . . .
C(19) C 0.829(1) 0.3672(9) 0.3282(8) 0.038(3) Uani 1.00 d . . .
C(20) C 0.7938(8) 0.2045(7) 0.3402(7) 0.025(2) Uani 1.00 d . . .
C(21) C 0.6468(9) 0.6610(8) 0.5909(7) 0.027(2) Uani 1.00 d . . .
C(22) C 0.6771(9) 0.6963(7) 0.7700(7) 0.026(2) Uani 1.00 d . . .
C(23) C 0.8680(9) 0.7133(7) 0.6860(8) 0.030(2) Uani 1.00 d . . .
C(24) C 0.4275(9) -0.2328(7) 0.0585(6) 0.026(2) Uani 1.00 d . . .
C(25) C 0.423(1) -0.3279(8) -0.0542(7) 0.037(2) Uani 1.00 d . . .
C(26) C 0.5731(9) -0.1550(8) 0.1213(7) 0.029(2) Uani 1.00 d . . .
C(27) C 0.369(1) -0.1619(8) 0.0453(7) 0.032(2) Uani 1.00 d . . .
C(28) C 0.1361(9) -0.5907(7) 0.0474(6) 0.024(2) Uani 1.00 d . . .
C(29) C 0.0329(10) -0.6400(7) -0.0512(7) 0.031(2) Uani 1.00 d . . .
C(30) C 0.066(1) -0.6295(8) 0.1160(7) 0.030(2) Uani 1.00 d . . .
C(31) C 0.237(1) -0.6405(9) 0.0108(9) 0.038(3) Uani 1.00 d . . .
C(32) C 0.7190(8) 0.6473(6) 0.6647(6) 0.019(2) Uani 1.00 d . . .
C(33) C -0.066(2) 0.008(1) 0.706(1) 0.073(5) Uani 1.00 d . . .
H(1) H 0.7763 0.5023 0.4863 0.0240 Uiso 1.00 calc . . .
H(2) H 0.5814 0.4850 0.7039 0.0261 Uiso 1.00 calc . . .
H(3) H 0.4716 0.3122 0.6880 0.0206 Uiso 1.00 calc . . .
H(4) H 0.3944 0.0902 0.6580 0.0193 Uiso 1.00 calc . . .
H(5) H 0.3065 0.1514 0.6692 0.0193 Uiso 1.00 calc . . .
H(6) H 0.1592 -0.0078 0.5150 0.0286 Uiso 1.00 calc . . .
H(7) H 0.1997 -0.0660 0.5594 0.0286 Uiso 1.00 calc . . .
H(8) H 0.1733 -0.2366 0.3954 0.0229 Uiso 1.00 calc . . .
H(9) H 0.2845 -0.4557 -0.0065 0.0265 Uiso 1.00 calc . . .
H(10) H 0.1435 -0.4146 0.2486 0.0234 Uiso 1.00 calc . . .
H(11) H 0.5697 0.2362 0.2365 0.0373 Uiso 1.00 calc . . .
H(12) H 0.6351 0.1535 0.1753 0.0373 Uiso 1.00 calc . . .
H(13) H 0.5460 0.1341 0.2463 0.0373 Uiso 1.00 calc . . .
H(14) H 0.9053 0.4172 0.3852 0.0459 Uiso 1.00 calc . . .
H(15) H 0.8519 0.3278 0.2608 0.0459 Uiso 1.00 calc . . .
H(16) H 0.7914 0.4136 0.3265 0.0459 Uiso 1.00 calc . . .
H(17) H 0.7345 0.1478 0.3496 0.0289 Uiso 1.00 calc . . .
H(18) H 0.8167 0.1653 0.2743 0.0289 Uiso 1.00 calc . . .
H(19) H 0.8711 0.2552 0.3985 0.0289 Uiso 1.00 calc . . .
H(20) H 0.6666 0.7416 0.6258 0.0336 Uiso 1.00 calc . . .
H(21) H 0.6718 0.6320 0.5250 0.0336 Uiso 1.00 calc . . .
H(22) H 0.5541 0.6166 0.5758 0.0336 Uiso 1.00 calc . . .
H(23) H 0.7216 0.6901 0.8177 0.0314 Uiso 1.00 calc . . .
H(24) H 0.6987 0.7774 0.8040 0.0314 Uiso 1.00 calc . . .
H(25) H 0.5856 0.6532 0.7561 0.0314 Uiso 1.00 calc . . .
H(26) H 0.9109 0.7019 0.7303 0.0367 Uiso 1.00 calc . . .
H(27) H 0.8922 0.6850 0.6210 0.0367 Uiso 1.00 calc . . .
H(28) H 0.8931 0.7959 0.7247 0.0367 Uiso 1.00 calc . . .
H(29) H 0.3335 -0.3779 -0.0973 0.0450 Uiso 1.00 calc . . .
H(30) H 0.4716 -0.2942 -0.0880 0.0450 Uiso 1.00 calc . . .
H(31) H 0.4568 -0.3755 -0.0522 0.0450 Uiso 1.00 calc . . .
H(32) H 0.6084 -0.2024 0.1222 0.0361 Uiso 1.00 calc . . .
H(33) H 0.6200 -0.1214 0.0866 0.0361 Uiso 1.00 calc . . .
H(34) H 0.5805 -0.0938 0.1928 0.0361 Uiso 1.00 calc . . .
H(35) H 0.3697 -0.0998 0.1143 0.0388 Uiso 1.00 calc . . .
H(36) H 0.4202 -0.1282 0.0120 0.0388 Uiso 1.00 calc . . .
H(37) H 0.2817 -0.2122 0.0018 0.0388 Uiso 1.00 calc . . .
H(38) H -0.0295 -0.6091 -0.0281 0.0371 Uiso 1.00 calc . . .
H(39) H 0.0740 -0.6175 -0.0948 0.0371 Uiso 1.00 calc . . .
H(40) H -0.0114 -0.7236 -0.0922 0.0371 Uiso 1.00 calc . . .
H(41) H 0.0035 -0.5986 0.1384 0.0357 Uiso 1.00 calc . . .
H(42) H 0.0234 -0.7122 0.0747 0.0357 Uiso 1.00 calc . . .
H(43) H 0.1284 -0.5983 0.1783 0.0357 Uiso 1.00 calc . . .
H(44) H 0.1942 -0.7238 -0.0278 0.0462 Uiso 1.00 calc . . .
H(45) H 0.2784 -0.6192 -0.0328 0.0462 Uiso 1.00 calc . . .
H(46) H 0.3015 -0.6082 0.0732 0.0462 Uiso 1.00 calc . . .
H(47) H -0.0603 0.0594 0.6874 0.0828 Uiso 1.00 calc . . .
H(48) H -0.1089 -0.0741 0.6351 0.0828 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Sb Sb -0.587 1.546
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(1) Pt(1) O(2) 89.0(2) . . . yes
O(1) Pt(1) N(1) 92.5(3) . . . yes
O(1) Pt(1) N(2) 178.4(2) . . . yes
O(2) Pt(1) N(1) 178.5(2) . . . yes
O(2) Pt(1) N(2) 92.6(3) . . . yes
N(1) Pt(1) N(2) 85.9(3) . . . yes
F(1) Sb(1) F(2) 89.3(3) . . . yes
F(1) Sb(1) F(3) 89.9(3) . . . yes
F(1) Sb(1) F(4) 178.3(3) . . . yes
F(1) Sb(1) F(5) 91.1(2) . . . yes
F(1) Sb(1) F(6) 91.0(3) . . . yes
F(2) Sb(1) F(3) 89.3(3) . . . yes
F(2) Sb(1) F(4) 90.1(3) . . . yes
F(2) Sb(1) F(5) 178.9(3) . . . yes
F(2) Sb(1) F(6) 91.2(3) . . . yes
F(3) Sb(1) F(4) 88.5(3) . . . yes
F(3) Sb(1) F(5) 89.7(3) . . . yes
F(3) Sb(1) F(6) 179.0(2) . . . yes
F(4) Sb(1) F(5) 89.5(2) . . . yes
F(4) Sb(1) F(6) 90.5(3) . . . yes
F(5) Sb(1) F(6) 89.8(3) . . . yes
Pt(1) O(1) C(1) 127.5(5) . . . yes
Pt(1) O(2) C(12) 126.0(5) . . . yes
Pt(1) N(1) C(7) 126.3(6) . . . yes
Pt(1) N(1) C(8) 113.2(5) . . . yes
C(7) N(1) C(8) 120.5(7) . . . yes
Pt(1) N(2) C(9) 111.8(5) . . . yes
Pt(1) N(2) C(10) 127.2(6) . . . yes
C(9) N(2) C(10) 121.0(8) . . . yes
O(1) C(1) C(2) 118.7(6) . . . yes
O(1) C(1) C(6) 122.0(7) . . . yes
C(2) C(1) C(6) 119.3(7) . . . yes
C(1) C(2) C(3) 118.2(7) . . . yes
C(1) C(2) C(17) 120.6(7) . . . yes
C(3) C(2) C(17) 121.2(7) . . . yes
C(2) C(3) C(4) 123.3(7) . . . yes
C(3) C(4) C(5) 117.6(6) . . . yes
C(3) C(4) C(32) 118.7(7) . . . yes
C(5) C(4) C(32) 123.6(6) . . . yes
C(4) C(5) C(6) 122.4(7) . . . yes
C(1) C(6) C(5) 119.1(8) . . . yes
C(1) C(6) C(7) 124.7(7) . . . yes
C(5) C(6) C(7) 116.1(7) . . . yes
N(1) C(7) C(6) 125.3(7) . . . yes
N(1) C(8) C(9) 108.2(6) . . . yes
N(2) C(9) C(8) 109.2(7) . . . yes
N(2) C(10) C(11) 124.5(8) . . . yes
C(10) C(11) C(12) 124.6(7) . . . yes
C(10) C(11) C(16) 114.2(7) . . . yes
C(12) C(11) C(16) 121.0(7) . . . yes
O(2) C(12) C(11) 123.7(7) . . . yes
O(2) C(12) C(13) 117.6(7) . . . yes
C(11) C(12) C(13) 118.7(7) . . . yes
C(12) C(13) C(14) 116.3(7) . . . yes
C(12) C(13) C(24) 120.7(7) . . . yes
C(14) C(13) C(24) 122.9(7) . . . yes
C(13) C(14) C(15) 125.8(7) . . . yes
C(14) C(15) C(16) 117.9(7) . . . yes
C(14) C(15) C(28) 119.9(7) . . . yes
C(16) C(15) C(28) 122.1(7) . . . yes
C(11) C(16) C(15) 120.3(7) . . . yes
C(2) C(17) C(18) 108.8(7) . . . yes
C(2) C(17) C(19) 111.7(7) . . . yes
C(2) C(17) C(20) 111.4(6) . . . yes
C(18) C(17) C(19) 108.3(7) . . . yes
C(18) C(17) C(20) 108.0(7) . . . yes
C(19) C(17) C(20) 108.5(7) . . . yes
C(13) C(24) C(25) 112.4(7) . . . yes
C(13) C(24) C(26) 110.3(7) . . . yes
C(13) C(24) C(27) 110.5(7) . . . yes
C(25) C(24) C(26) 106.6(8) . . . yes
C(25) C(24) C(27) 105.8(7) . . . yes
C(26) C(24) C(27) 111.2(7) . . . yes
C(15) C(28) C(29) 109.3(6) . . . yes
C(15) C(28) C(30) 111.4(6) . . . yes
C(15) C(28) C(31) 108.7(8) . . . yes
C(29) C(28) C(30) 108.2(8) . . . yes
C(29) C(28) C(31) 110.1(7) . . . yes
C(30) C(28) C(31) 109.2(7) . . . yes
C(4) C(32) C(21) 107.8(6) . . . yes
C(4) C(32) C(22) 111.3(6) . . . yes
C(4) C(32) C(23) 108.3(6) . . . yes
C(21) C(32) C(22) 108.3(7) . . . yes
C(21) C(32) C(23) 110.3(7) . . . yes
C(22) C(32) C(23) 110.8(7) . . . yes
Cl(1) C(33) Cl(2) 116(1) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) O(1) 1.971(6) . . yes
Pt(1) O(2) 1.989(6) . . yes
Pt(1) N(1) 1.933(7) . . yes
Pt(1) N(2) 1.922(8) . . yes
Sb(1) F(1) 1.854(5) . . yes
Sb(1) F(2) 1.875(5) . . yes
Sb(1) F(3) 1.890(6) . . yes
Sb(1) F(4) 1.874(5) . . yes
Sb(1) F(5) 1.873(5) . . yes
Sb(1) F(6) 1.861(6) . . yes
Cl(1) C(33) 1.66(2) . . yes
Cl(2) C(33) 1.77(2) . . yes
O(1) C(1) 1.309(9) . . yes
O(2) C(12) 1.299(10) . . yes
N(1) C(7) 1.30(1) . . yes
N(1) C(8) 1.482(9) . . yes
N(2) C(9) 1.504(10) . . yes
N(2) C(10) 1.287(10) . . yes
C(1) C(2) 1.44(1) . . yes
C(1) C(6) 1.44(1) . . yes
C(2) C(3) 1.377(10) . . yes
C(2) C(17) 1.55(1) . . yes
C(3) C(4) 1.44(1) . . yes
C(4) C(5) 1.38(1) . . yes
C(4) C(32) 1.546(9) . . yes
C(5) C(6) 1.409(10) . . yes
C(6) C(7) 1.43(1) . . yes
C(8) C(9) 1.51(1) . . yes
C(10) C(11) 1.43(1) . . yes
C(11) C(12) 1.43(1) . . yes
C(11) C(16) 1.41(1) . . yes
C(12) C(13) 1.459(10) . . yes
C(13) C(14) 1.39(1) . . yes
C(13) C(24) 1.51(1) . . yes
C(14) C(15) 1.38(1) . . yes
C(15) C(16) 1.40(1) . . yes
C(15) C(28) 1.54(1) . . yes
C(17) C(18) 1.58(1) . . yes
C(17) C(19) 1.50(1) . . yes
C(17) C(20) 1.51(1) . . yes
C(21) C(32) 1.55(1) . . yes
C(22) C(32) 1.52(1) . . yes
C(23) C(32) 1.54(1) . . yes
C(24) C(25) 1.51(1) . . yes
C(24) C(26) 1.55(1) . . yes
C(24) C(27) 1.55(1) . . yes
C(28) C(29) 1.54(1) . . yes
C(28) C(30) 1.55(1) . . yes
C(28) C(31) 1.55(1) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cl(1) C(9) 3.532(9) . . ?
F(1) C(16) 3.36(1) . 2_556 ?
F(1) C(29) 3.51(1) . 1_566 ?
F(1) C(25) 3.55(1) . 1_566 ?
F(2) C(10) 3.43(1) . 2_556 ?
F(3) C(10) 2.92(1) . 2_556 ?
F(3) N(2) 3.16(1) . 2_556 ?
F(3) C(9) 3.19(1) . 2_556 ?
F(3) C(33) 3.21(2) . . ?
F(4) N(1) 2.953(8) . . ?
F(4) C(7) 2.967(10) . . ?
F(4) C(8) 3.178(9) . . ?
F(4) C(33) 3.31(2) . 2_556 ?
F(4) C(9) 3.437(9) . . ?
F(5) C(7) 3.324(9) . . ?
F(5) C(8) 3.495(9) . . ?
F(6) C(21) 3.46(1) . 2_666 ?
F(6) C(5) 3.50(1) . . ?
F(6) C(25) 3.58(1) . 1_566 ?
F(6) C(19) 3.59(1) . 2_666 ?
O(2) C(8) 3.397(9) . 2_656 ?
C(7) C(11) 3.47(1) . 2_656 ?
