#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/8/8000043.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_8000043
loop_
_publ_author_name
'Jun-ichi Nishida'
'Akihiro Maruyama'
'Takeshi Iwata'
'Yoshiro Yamashita'
_publ_section_title
;
 Preparation, Characterization, and Electroluminescence Characteristics
 of \a-Diimine-type Platinum(II) Complexes with Perfluorinated Phenyl
 Groups as Ligands
;
_journal_issue                   4
_journal_name_full               'Chemistry Letters'
_journal_page_first              592
_journal_volume                  34
_journal_year                    2005
_chemical_formula_moiety         'C40 H20 F14 N2 Pt '
_chemical_formula_sum            'C40 H20 F14 N2 Pt'
_[local]_cod_chemical_formula_sum_orig 'C40 H20 F14 N2 Pt '
_chemical_formula_weight         989.68
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.34(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.10(1)
_cell_length_b                   15.249(6)
_cell_length_c                   16.600(7)
_cell_measurement_reflns_used    31952
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6941(5)
_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9942
_diffrn_measured_fraction_theta_max 0.9942
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32039
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    4.137
_exptl_absorpt_correction_T_max  0.437
_exptl_absorpt_correction_T_min  0.096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     514
_refine_ls_number_reflns         7908
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.0194
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0769
_reflns_number_gt                6041
_reflns_number_total             7908
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+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
Pt(1) Pt 0.616185(5) 0.206025(9) 0.162436(9) 0.03859(4) Uani 1.00 d
F(1) F 0.6673(1) 0.3704(2) 0.2837(2) 0.0712(8) Uani 1.00 d
F(2) F 0.6872(1) 0.5284(2) 0.2453(2) 0.089(1) Uani 1.00 d
F(3) F 0.5974(1) 0.4713(2) -0.0585(2) 0.081(1) Uani 1.00 d
F(4) F 0.5853(1) 0.3074(2) -0.0209(2) 0.0670(8) Uani 1.00 d
F(5) F 0.6426(3) 0.6113(3) -0.0105(4) 0.180(2) Uani 1.00 d
F(6) F 0.6991(2) 0.6129(3) 0.1017(5) 0.191(2) Uani 1.00 d
F(7) F 0.6341(3) 0.6543(2) 0.0925(6) 0.229(4) Uani 1.00 d
F(8) F 0.61832(10) 0.1063(2) 0.0064(2) 0.0720(9) Uani 1.00 d
F(9) F 0.6849(1) 0.0703(2) -0.0514(2) 0.080(1) Uani 1.00 d
F(10) F 0.8011(1) 0.2245(2) 0.1911(2) 0.0806(10) Uani 1.00 d
F(11) F 0.73362(10) 0.2592(2) 0.2484(2) 0.0698(8) Uani 1.00 d
F(12) F 0.7680(2) 0.1212(3) -0.0510(3) 0.125(2) Uani 1.00 d
F(13) F 0.8011(2) 0.0445(3) 0.0605(4) 0.182(3) Uani 1.00 d
F(14) F 0.8200(1) 0.1748(4) 0.0585(3) 0.131(2) Uani 1.00 d
N(1) N 0.5451(1) 0.2102(2) 0.1612(2) 0.0406(8) Uani 1.00 d
N(2) N 0.6079(1) 0.0759(2) 0.1955(2) 0.0380(8) Uani 1.00 d
C(1) C 0.5257(1) 0.1266(2) 0.1476(2) 0.0376(9) Uani 1.00 d
C(2) C 0.5145(2) 0.2768(2) 0.1530(3) 0.044(1) Uani 1.00 d
C(3) C 0.4646(2) 0.2638(3) 0.1235(3) 0.047(1) Uani 1.00 d
C(4) C 0.4435(2) 0.1817(3) 0.1034(3) 0.042(1) Uani 1.00 d
C(5) C 0.4761(1) 0.1093(3) 0.1206(2) 0.0408(10) Uani 1.00 d
C(6) C 0.4599(1) 0.0199(3) 0.1150(3) 0.046(1) Uani 1.00 d
C(7) C 0.4916(1) -0.0467(3) 0.1350(3) 0.048(1) Uani 1.00 d
C(8) C 0.5424(1) -0.0318(2) 0.1633(2) 0.0409(10) Uani 1.00 d
C(9) C 0.5783(1) -0.0999(2) 0.1936(2) 0.0408(10) Uani 1.00 d
C(10) C 0.6263(1) -0.0752(3) 0.2296(3) 0.046(1) Uani 1.00 d
C(11) C 0.6409(1) 0.0122(2) 0.2297(2) 0.0408(10) Uani 1.00 d
C(12) C 0.5594(1) 0.0551(2) 0.1673(2) 0.0378(9) Uani 1.00 d
C(13) C 0.5346(2) 0.3681(3) 0.1752(3) 0.060(1) Uani 1.00 d
C(14) C 0.3896(1) 0.1702(2) 0.0633(3) 0.043(1) Uani 1.00 d
C(15) C 0.3606(2) 0.2038(3) 0.1025(3) 0.052(1) Uani 1.00 d
C(16) C 0.3118(2) 0.1935(3) 0.0655(4) 0.064(2) Uani 1.00 d
C(17) C 0.2894(2) 0.1502(4) -0.0134(4) 0.074(2) Uani 1.00 d
C(18) C 0.3168(2) 0.1177(4) -0.0556(4) 0.075(2) Uani 1.00 d
C(19) C 0.3664(2) 0.1267(3) -0.0170(3) 0.063(1) Uani 1.00 d
C(20) C 0.5645(2) -0.1936(2) 0.1883(3) 0.047(1) Uani 1.00 d
C(21) C 0.5368(2) -0.2318(3) 0.1068(3) 0.062(1) Uani 1.00 d
C(22) C 0.5268(2) -0.3207(3) 0.1019(4) 0.074(2) Uani 1.00 d
C(23) C 0.5427(3) -0.3708(4) 0.1782(6) 0.098(2) Uani 1.00 d
C(24) C 0.5692(3) -0.3332(4) 0.2573(5) 0.108(2) Uani 1.00 d
C(25) C 0.5808(2) -0.2447(3) 0.2639(4) 0.076(2) Uani 1.00 d
C(26) C 0.6941(2) 0.0337(3) 0.2709(3) 0.055(1) Uani 1.00 d
C(27) C 0.6251(1) 0.3310(3) 0.1320(3) 0.042(1) Uani 1.00 d
C(28) C 0.6510(2) 0.3919(3) 0.1971(3) 0.053(1) Uani 1.00 d
C(29) C 0.6607(2) 0.4756(3) 0.1784(3) 0.057(1) Uani 1.00 d
C(30) C 0.6439(2) 0.5056(3) 0.0919(3) 0.055(1) Uani 1.00 d
C(31) C 0.6170(2) 0.4472(3) 0.0274(3) 0.054(1) Uani 1.00 d
C(32) C 0.6093(2) 0.3618(3) 0.0479(3) 0.047(1) Uani 1.00 d
C(33) C 0.6556(2) 0.5967(3) 0.0734(5) 0.077(2) Uani 1.00 d
C(34) C 0.6724(1) 0.1835(2) 0.1305(3) 0.0407(10) Uani 1.00 d
C(35) C 0.6638(2) 0.1366(3) 0.0548(3) 0.049(1) Uani 1.00 d
C(36) C 0.6982(2) 0.1174(3) 0.0240(3) 0.054(1) Uani 1.00 d
C(37) C 0.7457(2) 0.1455(3) 0.0682(3) 0.052(1) Uani 1.00 d
C(38) C 0.7559(2) 0.1934(3) 0.1433(3) 0.054(1) Uani 1.00 d
C(39) C 0.7204(2) 0.2122(2) 0.1732(3) 0.048(1) Uani 1.00 d
C(40) C 0.7845(2) 0.1195(4) 0.0360(4) 0.075(2) Uani 1.00 d
H(1) H 0.5507 0.3854 0.1397 0.0731 Uiso 1.00 calc
H(2) H 0.5571 0.3711 0.2364 0.0731 Uiso 1.00 calc
H(3) H 0.5086 0.4086 0.1668 0.0731 Uiso 1.00 calc
H(4) H 0.4447 0.3143 0.1185 0.0552 Uiso 1.00 calc
H(5) H 0.4253 0.0085 0.0960 0.0583 Uiso 1.00 calc
H(6) H 0.4802 -0.1072 0.1288 0.0568 Uiso 1.00 calc
H(7) H 0.6508 -0.1202 0.2548 0.0532 Uiso 1.00 calc
H(8) H 0.7128 -0.0182 0.2932 0.0685 Uiso 1.00 calc
H(9) H 0.7037 0.0602 0.2289 0.0685 Uiso 1.00 calc
H(10) H 0.7010 0.0736 0.3194 0.0685 Uiso 1.00 calc
H(11) H 0.3762 0.2343 0.1580 0.0625 Uiso 1.00 calc
H(12) H 0.2926 0.2150 0.0959 0.0764 Uiso 1.00 calc
H(13) H 0.2544 0.1426 -0.0403 0.0914 Uiso 1.00 calc
H(14) H 0.3009 0.0894 -0.1129 0.0883 Uiso 1.00 calc
H(15) H 0.3857 0.1025 -0.0455 0.0744 Uiso 1.00 calc
H(16) H 0.5243 -0.1957 0.0545 0.0767 Uiso 1.00 calc
H(17) H 0.5086 -0.3480 0.0446 0.0861 Uiso 1.00 calc
H(18) H 0.5349 -0.4322 0.1760 0.1145 Uiso 1.00 calc
H(19) H 0.5819 -0.3706 0.3105 0.1162 Uiso 1.00 calc
H(20) H 0.6002 -0.2166 0.3210 0.0952 Uiso 1.00 calc
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.03833(9) 0.03488(8) 0.04294(9) -0.00603(6) 0.01713(6) -0.00099(7)
F(1) 0.099(2) 0.051(1) 0.049(1) -0.016(1) 0.016(1) -0.002(1)
F(2) 0.103(3) 0.047(2) 0.095(2) -0.025(2) 0.018(2) -0.012(2)
F(3) 0.087(2) 0.083(2) 0.067(2) 0.008(2) 0.025(2) 0.030(2)
F(4) 0.068(2) 0.073(2) 0.050(1) -0.009(1) 0.015(1) 0.000(1)
F(5) 0.260(7) 0.093(3) 0.157(4) -0.044(4) 0.056(5) 0.054(3)
F(6) 0.086(3) 0.101(3) 0.344(8) -0.022(2) 0.045(4) 0.112(4)
F(7) 0.321(8) 0.046(2) 0.49(1) 0.043(3) 0.335(9) 0.055(4)
F(8) 0.050(2) 0.082(2) 0.077(2) -0.019(1) 0.019(1) -0.037(2)
F(9) 0.087(2) 0.091(2) 0.071(2) -0.006(2) 0.041(2) -0.031(2)
F(10) 0.041(1) 0.087(2) 0.110(2) -0.020(1) 0.028(2) -0.021(2)
F(11) 0.050(2) 0.084(2) 0.066(2) -0.018(1) 0.014(1) -0.032(2)
F(12) 0.121(3) 0.185(4) 0.105(3) -0.006(3) 0.081(3) -0.014(3)
F(13) 0.235(6) 0.128(4) 0.302(7) 0.111(4) 0.230(6) 0.106(4)
F(14) 0.080(3) 0.168(4) 0.178(4) -0.032(3) 0.088(3) -0.045(4)
N(1) 0.043(2) 0.037(2) 0.042(2) -0.005(1) 0.018(1) 0.000(1)
N(2) 0.037(2) 0.036(2) 0.040(2) -0.005(1) 0.015(1) -0.001(1)
C(1) 0.038(2) 0.035(2) 0.041(2) 0.001(2) 0.017(2) 0.003(2)
C(2) 0.052(2) 0.035(2) 0.049(2) 0.002(2) 0.026(2) 0.001(2)
C(3) 0.053(3) 0.037(2) 0.055(2) 0.006(2) 0.026(2) 0.002(2)
C(4) 0.046(2) 0.040(2) 0.041(2) 0.004(2) 0.020(2) 0.002(2)
C(5) 0.040(2) 0.041(2) 0.044(2) 0.001(2) 0.019(2) 0.004(2)
C(6) 0.033(2) 0.043(2) 0.059(2) -0.006(2) 0.015(2) -0.004(2)
C(7) 0.039(2) 0.036(2) 0.062(2) -0.007(2) 0.014(2) -0.002(2)
C(8) 0.042(2) 0.035(2) 0.044(2) -0.001(2) 0.016(2) 0.003(2)
C(9) 0.043(2) 0.036(2) 0.043(2) 0.000(2) 0.017(2) 0.004(2)
C(10) 0.041(2) 0.043(2) 0.047(2) 0.004(2) 0.012(2) 0.007(2)
C(11) 0.034(2) 0.042(2) 0.043(2) 0.000(2) 0.012(2) 0.003(2)
C(12) 0.038(2) 0.036(2) 0.037(2) -0.002(2) 0.013(2) 0.003(2)
C(13) 0.073(3) 0.036(2) 0.084(3) -0.006(2) 0.046(3) -0.009(2)
C(14) 0.042(2) 0.035(2) 0.050(2) 0.004(2) 0.019(2) 0.005(2)
C(15) 0.056(3) 0.052(2) 0.054(2) 0.012(2) 0.028(2) 0.009(2)
C(16) 0.050(3) 0.064(3) 0.088(4) 0.017(2) 0.037(3) 0.023(3)
C(17) 0.041(3) 0.064(3) 0.107(4) 0.012(2) 0.022(3) 0.019(3)
C(18) 0.057(3) 0.065(3) 0.076(3) 0.004(3) 0.001(3) -0.005(3)
C(19) 0.052(3) 0.073(3) 0.063(3) 0.005(2) 0.022(2) -0.010(2)
C(20) 0.044(2) 0.038(2) 0.056(2) 0.002(2) 0.018(2) 0.004(2)
C(21) 0.065(3) 0.053(3) 0.062(3) -0.006(2) 0.021(3) 0.001(2)
C(22) 0.072(4) 0.048(3) 0.094(4) -0.011(2) 0.026(3) -0.014(3)
C(23) 0.102(5) 0.044(3) 0.142(6) -0.015(3) 0.044(5) 0.006(4)
C(24) 0.134(6) 0.064(4) 0.095(5) -0.024(4) 0.017(4) 0.030(4)
C(25) 0.084(4) 0.051(3) 0.069(3) -0.005(3) 0.007(3) 0.019(3)
C(26) 0.042(2) 0.053(2) 0.060(3) -0.002(2) 0.012(2) 0.006(2)
C(27) 0.038(2) 0.037(2) 0.049(2) -0.006(2) 0.017(2) 0.003(2)
C(28) 0.056(3) 0.045(2) 0.055(2) -0.006(2) 0.021(2) 0.003(2)
C(29) 0.052(3) 0.041(2) 0.068(3) -0.008(2) 0.016(2) 0.001(2)
C(30) 0.044(2) 0.041(2) 0.078(3) 0.002(2) 0.024(2) 0.012(2)
C(31) 0.048(2) 0.061(3) 0.059(3) 0.007(2) 0.027(2) 0.021(2)
C(32) 0.043(2) 0.047(2) 0.050(2) -0.002(2) 0.019(2) 0.000(2)
C(33) 0.061(3) 0.052(3) 0.112(5) 0.006(2) 0.031(3) 0.033(3)
C(34) 0.038(2) 0.034(2) 0.048(2) -0.005(1) 0.016(2) 0.001(2)
C(35) 0.043(2) 0.047(2) 0.053(2) -0.008(2) 0.017(2) -0.007(2)
C(36) 0.060(3) 0.050(2) 0.055(2) -0.007(2) 0.028(2) -0.006(2)
C(37) 0.056(3) 0.048(2) 0.061(3) 0.003(2) 0.032(2) 0.006(2)
C(38) 0.039(2) 0.050(2) 0.071(3) -0.008(2) 0.022(2) 0.000(2)
C(39) 0.045(2) 0.043(2) 0.054(2) -0.011(2) 0.018(2) -0.006(2)
C(40) 0.074(4) 0.074(3) 0.099(4) 0.014(3) 0.057(3) 0.016(3)
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)
;
N N 0.006 0.003
;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)
;
Pt Pt -1.703 8.390
;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_publ_flag
N(1) Pt(1) N(2) 78.7(1) yes
N(1) Pt(1) C(27) 101.8(1) yes
N(1) Pt(1) C(34) 163.3(1) yes
N(2) Pt(1) C(27) 179.2(1) yes
N(2) Pt(1) C(34) 96.4(1) yes
C(27) Pt(1) C(34) 83.2(2) yes
Pt(1) N(1) C(1) 109.2(2) yes
Pt(1) N(1) C(2) 132.0(3) yes
C(1) N(1) C(2) 117.1(3) yes
Pt(1) N(2) C(11) 130.5(3) yes
Pt(1) N(2) C(12) 110.7(2) yes
C(11) N(2) C(12) 118.5(3) yes
N(1) C(1) C(5) 123.5(3) yes
N(1) C(1) C(12) 116.9(3) yes
C(5) C(1) C(12) 119.6(3) yes
N(1) C(2) C(3) 121.7(4) yes
N(1) C(2) C(13) 119.2(4) yes
C(3) C(2) C(13) 119.1(4) yes
C(2) C(3) C(4) 122.6(4) yes
C(3) C(4) C(5) 116.3(4) yes
C(3) C(4) C(14) 121.5(4) yes
C(5) C(4) C(14) 122.2(3) yes
C(1) C(5) C(4) 118.4(3) yes
C(1) C(5) C(6) 119.3(3) yes
C(4) C(5) C(6) 122.3(3) yes
C(5) C(6) C(7) 121.1(4) yes
C(6) C(7) C(8) 121.4(4) yes
C(7) C(8) C(9) 123.6(3) yes
C(7) C(8) C(12) 119.0(3) yes
C(9) C(8) C(12) 117.3(3) yes
C(8) C(9) C(10) 117.5(3) yes
C(8) C(9) C(20) 121.8(3) yes
C(10) C(9) C(20) 120.7(3) yes
C(9) C(10) C(11) 122.3(3) yes
N(2) C(11) C(10) 120.8(3) yes
N(2) C(11) C(26) 120.3(3) yes
C(10) C(11) C(26) 118.9(3) yes
N(2) C(12) C(1) 117.1(3) yes
N(2) C(12) C(8) 123.0(3) yes
C(1) C(12) C(8) 119.7(3) yes
C(4) C(14) C(15) 121.9(4) yes
C(4) C(14) C(19) 120.6(4) yes
C(15) C(14) C(19) 117.4(4) yes
C(14) C(15) C(16) 121.5(5) yes
C(15) C(16) C(17) 120.4(5) yes
C(16) C(17) C(18) 119.9(5) yes
C(17) C(18) C(19) 119.5(5) yes
C(14) C(19) C(18) 121.2(4) yes
C(9) C(20) C(21) 120.2(4) yes
C(9) C(20) C(25) 120.3(4) yes
C(21) C(20) C(25) 119.5(4) yes
C(20) C(21) C(22) 119.7(5) yes
C(21) C(22) C(23) 120.2(5) yes
C(22) C(23) C(24) 119.9(5) yes
C(23) C(24) C(25) 121.2(5) yes
C(20) C(25) C(24) 119.5(5) yes
Pt(1) C(27) C(28) 121.7(3) yes
Pt(1) C(27) C(32) 123.9(3) yes
C(28) C(27) C(32) 114.3(4) yes
F(1) C(28) C(27) 120.2(4) yes
F(1) C(28) C(29) 116.6(4) yes
C(27) C(28) C(29) 123.2(4) yes
F(2) C(29) C(28) 118.8(4) yes
F(2) C(29) C(30) 119.9(4) yes
C(28) C(29) C(30) 121.3(4) yes
C(29) C(30) C(31) 116.1(4) yes
C(29) C(30) C(33) 120.1(5) yes
C(31) C(30) C(33) 123.8(5) yes
F(3) C(31) C(30) 120.6(4) yes
F(3) C(31) C(32) 118.0(4) yes
C(30) C(31) C(32) 121.5(4) yes
F(4) C(32) C(27) 119.5(3) yes
F(4) C(32) C(31) 116.9(4) yes
C(27) C(32) C(31) 123.6(4) yes
F(5) C(33) F(6) 100.3(6) yes
F(5) C(33) F(7) 101.5(6) yes
F(5) C(33) C(30) 112.7(5) yes
F(6) C(33) F(7) 110.9(7) yes
F(6) C(33) C(30) 114.5(5) yes
F(7) C(33) C(30) 115.2(5) yes
Pt(1) C(34) C(35) 118.1(3) yes
Pt(1) C(34) C(39) 128.7(3) yes
C(35) C(34) C(39) 113.1(4) yes
F(8) C(35) C(34) 118.9(4) yes
F(8) C(35) C(36) 116.3(4) yes
C(34) C(35) C(36) 124.8(4) yes
F(9) C(36) C(35) 118.7(4) yes
F(9) C(36) C(37) 120.4(4) yes
C(35) C(36) C(37) 121.0(4) yes
C(36) C(37) C(38) 116.5(4) yes
C(36) C(37) C(40) 120.5(4) yes
C(38) C(37) C(40) 122.9(5) yes
F(10) C(38) C(37) 121.1(4) yes
F(10) C(38) C(39) 117.3(4) yes
C(37) C(38) C(39) 121.6(4) yes
F(11) C(39) C(34) 119.1(4) yes
F(11) C(39) C(38) 117.8(4) yes
C(34) C(39) C(38) 123.1(4) yes
F(12) C(40) F(13) 107.1(6) yes
F(12) C(40) F(14) 101.3(5) yes
F(12) C(40) C(37) 112.5(5) yes
F(13) C(40) F(14) 109.4(6) yes
F(13) C(40) C(37) 112.7(4) yes
F(14) C(40) C(37) 113.1(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) N(1) 2.131(3) yes
Pt(1) N(2) 2.101(3) yes
Pt(1) C(27) 2.017(4) yes
Pt(1) C(34) 1.999(4) yes
F(1) C(28) 1.354(5) yes
F(2) C(29) 1.338(5) yes
F(3) C(31) 1.350(5) yes
F(4) C(32) 1.355(5) yes
F(5) C(33) 1.301(8) yes
F(6) C(33) 1.219(6) yes
F(7) C(33) 1.208(7) yes
F(8) C(35) 1.352(5) yes
F(9) C(36) 1.352(5) yes
F(10) C(38) 1.349(5) yes
F(11) C(39) 1.349(5) yes
F(12) C(40) 1.320(7) yes
F(13) C(40) 1.247(6) yes
F(14) C(40) 1.291(7) yes
N(1) C(1) 1.383(4) yes
N(1) C(2) 1.340(5) yes
N(2) C(11) 1.337(5) yes
N(2) C(12) 1.373(5) yes
C(1) C(5) 1.395(5) yes
C(1) C(12) 1.433(5) yes
C(2) C(3) 1.388(6) yes
C(2) C(13) 1.502(5) yes
C(3) C(4) 1.381(6) yes
C(4) C(5) 1.424(5) yes
C(4) C(14) 1.489(6) yes
C(5) C(6) 1.438(5) yes
C(6) C(7) 1.338(6) yes
C(7) C(8) 1.423(6) yes
C(8) C(9) 1.431(5) yes
C(8) C(12) 1.412(5) yes
C(9) C(10) 1.370(6) yes
C(9) C(20) 1.481(5) yes
C(10) C(11) 1.404(5) yes
C(11) C(26) 1.495(6) yes
C(14) C(15) 1.385(6) yes
C(14) C(19) 1.392(6) yes
C(15) C(16) 1.346(7) yes
C(16) C(17) 1.371(8) yes
C(17) C(18) 1.375(8) yes
C(18) C(19) 1.366(7) yes
C(20) C(21) 1.391(7) yes
C(20) C(25) 1.384(6) yes
C(21) C(22) 1.385(7) yes
C(22) C(23) 1.383(9) yes
C(23) C(24) 1.351(10) yes
C(24) C(25) 1.387(8) yes
C(27) C(28) 1.394(6) yes
C(27) C(32) 1.361(6) yes
C(28) C(29) 1.373(6) yes
C(29) C(30) 1.388(6) yes
C(30) C(31) 1.371(6) yes
C(30) C(33) 1.495(6) yes
C(31) C(32) 1.389(6) yes
C(34) C(35) 1.375(6) yes
C(34) C(39) 1.393(6) yes
C(35) C(36) 1.362(6) yes
C(36) C(37) 1.379(6) yes
C(37) C(38) 1.366(6) yes
C(37) C(40) 1.523(6) yes
C(38) C(39) 1.381(6) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
F(1) C(15) 3.468(5) 2_655
F(1) F(13) 3.552(5) 6_655
F(1) C(16) 3.555(7) 2_655
F(2) F(13) 3.105(7) 6_655
F(2) F(10) 3.142(4) 6_655
F(2) C(38) 3.174(5) 6_655
F(2) C(37) 3.421(5) 6_655
F(3) F(13) 3.079(6) 7_655
F(3) F(14) 3.336(6) 7_655
F(3) C(24) 3.516(7) 4_554
F(4) C(22) 3.079(7) 3_655
F(4) F(14) 3.171(5) 7_655
F(4) C(24) 3.531(8) 4_554
F(4) C(21) 3.542(6) 3_655
F(5) C(15) 3.190(6) 3_665
F(5) F(13) 3.220(8) 7_655
F(5) C(14) 3.480(6) 3_665
F(5) C(3) 3.547(8) 3_665
F(5) C(16) 3.551(6) 3_665
F(6) C(26) 3.265(6) 6_655
F(6) F(11) 3.335(7) 6_655
F(7) C(22) 3.320(8) 1_565
F(7) F(10) 3.48(1) 6_655
F(7) C(21) 3.496(7) 1_565
F(7) C(19) 3.565(6) 3_665
F(7) C(14) 3.582(7) 3_665
F(8) C(6) 3.065(5) 3_655
F(8) C(7) 3.297(5) 3_655
F(8) C(19) 3.577(6) 3_655
F(9) C(10) 3.323(5) 4_554
F(9) C(18) 3.384(7) 3_655
F(9) C(26) 3.460(5) 4_554
F(9) C(17) 3.518(6) 3_655
F(9) C(11) 3.547(5) 4_554
F(10) C(25) 3.348(7) 6_655
F(10) F(12) 3.360(6) 7_655
F(12) C(38) 3.154(7) 7_655
F(12) C(39) 3.357(6) 7_655
F(12) C(31) 3.477(6) 7_655
F(12) C(30) 3.564(6) 7_655
F(12) C(37) 3.579(6) 7_655
F(13) C(31) 3.345(6) 7_655
F(14) C(32) 3.325(6) 7_655
F(14) C(31) 3.363(6) 7_655
F(14) C(36) 3.406(7) 7_655
F(14) C(25) 3.442(7) 6_655
F(14) C(24) 3.475(9) 6_655
F(14) C(37) 3.523(7) 7_655
F(14) C(35) 3.577(7) 7_655
C(2) C(3) 3.504(6) 2_655
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
Pt(1) N(1) C(1) C(5) -162.8(3) yes
Pt(1) N(1) C(1) C(12) 20.7(4) yes
Pt(1) N(1) C(2) C(3) 157.1(3) yes
Pt(1) N(1) C(2) C(13) -22.2(6) yes
Pt(1) N(2) C(11) C(10) -166.6(3) yes
Pt(1) N(2) C(11) C(26) 15.1(5) yes
Pt(1) N(2) C(12) C(1) -18.4(4) yes
Pt(1) N(2) C(12) C(8) 166.1(3) yes
Pt(1) C(27) C(28) F(1) -5.8(6) yes
Pt(1) C(27) C(28) C(29) 175.2(4) yes
Pt(1) C(27) C(32) F(4) 1.3(6) yes
Pt(1) C(27) C(32) C(31) -177.7(3) yes
Pt(1) C(34) C(35) F(8) -1.5(5) yes
Pt(1) C(34) C(35) C(36) 179.0(4) yes
Pt(1) C(34) C(39) F(11) 2.8(6) yes
Pt(1) C(34) C(39) C(38) -178.6(3) yes
F(1) C(28) C(27) C(32) 177.8(4) yes
F(1) C(28) C(29) F(2) 3.2(7) yes
F(1) C(28) C(29) C(30) -177.4(4) yes
F(2) C(29) C(28) C(27) -177.8(4) yes
F(2) C(29) C(30) C(31) 179.9(4) yes
F(2) C(29) C(30) C(33) 0.2(7) yes
F(3) C(31) C(30) C(29) 177.3(4) yes
F(3) C(31) C(30) C(33) -3.0(7) yes
F(3) C(31) C(32) F(4) 4.3(6) yes
F(3) C(31) C(32) C(27) -176.7(4) yes
F(4) C(32) C(27) C(28) 177.6(4) yes
F(4) C(32) C(31) C(30) -175.4(4) yes
F(5) C(33) C(30) C(29) 172.0(6) yes
F(5) C(33) C(30) C(31) -7.7(8) yes
F(6) C(33) C(30) C(29) 58.2(8) yes
F(6) C(33) C(30) C(31) -121.5(7) yes
F(7) C(33) C(30) C(29) -72.2(8) yes
F(7) C(33) C(30) C(31) 108.1(8) yes
F(8) C(35) C(34) C(39) -178.9(4) yes
F(8) C(35) C(36) F(9) 0.1(6) yes
F(8) C(35) C(36) C(37) 179.7(4) yes
F(9) C(36) C(35) C(34) 179.7(4) yes
F(9) C(36) C(37) C(38) 179.3(4) yes
F(9) C(36) C(37) C(40) -3.7(7) yes
F(10) C(38) C(37) C(36) -179.6(4) yes
F(10) C(38) C(37) C(40) 3.5(7) yes
F(10) C(38) C(39) F(11) -0.8(6) yes
F(10) C(38) C(39) C(34) -179.4(4) yes
F(11) C(39) C(34) C(35) 179.8(4) yes
F(11) C(39) C(38) C(37) 179.4(4) yes
F(12) C(40) C(37) C(36) 40.0(7) yes
F(12) C(40) C(37) C(38) -143.3(5) yes
F(13) C(40) C(37) C(36) -81.3(7) yes
F(13) C(40) C(37) C(38) 95.5(7) yes
F(14) C(40) C(37) C(36) 154.0(5) yes
F(14) C(40) C(37) C(38) -29.2(7) yes
N(1) Pt(1) N(2) C(11) -164.9(3) yes
N(1) Pt(1) N(2) C(12) 22.4(2) yes
N(1) Pt(1) C(27) C(28) 98.1(4) yes
N(1) Pt(1) C(27) C(32) -85.8(4) yes
N(1) Pt(1) C(34) C(35) -1.9(7) yes
N(1) Pt(1) C(34) C(39) 175.0(4) yes
N(1) C(1) C(5) C(4) 2.2(5) yes
N(1) C(1) C(5) C(6) -175.1(3) yes
N(1) C(1) C(12) N(2) -1.9(5) yes
N(1) C(1) C(12) C(8) 173.7(3) yes
N(1) C(2) C(3) C(4) 1.8(6) yes
N(2) Pt(1) N(1) C(1) -23.1(2) yes
N(2) Pt(1) N(1) C(2) 172.7(4) yes
N(2) Pt(1) C(27) C(28) -37(10) yes
N(2) Pt(1) C(27) C(32) 138(9) yes
N(2) Pt(1) C(34) C(35) 69.8(3) yes
N(2) Pt(1) C(34) C(39) -113.2(4) yes
N(2) C(11) C(10) C(9) 1.3(6) yes
N(2) C(12) C(1) C(5) -178.6(3) yes
N(2) C(12) C(8) C(7) 178.6(4) yes
N(2) C(12) C(8) C(9) 2.5(5) yes
C(1) N(1) Pt(1) C(27) 157.5(2) yes
C(1) N(1) Pt(1) C(34) 51.2(6) yes
C(1) N(1) C(2) C(3) -6.2(6) yes
C(1) N(1) C(2) C(13) 174.5(3) yes
C(1) C(5) C(4) C(3) -6.4(5) yes
C(1) C(5) C(4) C(14) 171.9(3) yes
C(1) C(5) C(6) C(7) 0.0(6) yes
C(1) C(12) N(2) C(11) 167.9(3) yes
C(1) C(12) C(8) C(7) 3.3(5) yes
C(1) C(12) C(8) C(9) -172.9(3) yes
C(2) N(1) Pt(1) C(27) -6.8(4) yes
C(2) N(1) Pt(1) C(34) -113.1(5) yes
C(2) N(1) C(1) C(5) 4.2(5) yes
C(2) N(1) C(1) C(12) -172.3(3) yes
C(2) C(3) C(4) C(5) 4.6(6) yes
C(2) C(3) C(4) C(14) -173.7(4) yes
C(3) C(4) C(5) C(6) 170.9(4) yes
C(3) C(4) C(14) C(15) -55.6(5) yes
C(3) C(4) C(14) C(19) 122.9(5) yes
C(4) C(3) C(2) C(13) -178.8(4) yes
C(4) C(5) C(1) C(12) 178.6(3) yes
C(4) C(5) C(6) C(7) -177.2(4) yes
C(4) C(14) C(15) C(16) 179.6(4) yes
C(4) C(14) C(19) C(18) -178.3(5) yes
C(5) C(1) C(12) C(8) -3.0(5) yes
C(5) C(4) C(14) C(15) 126.3(4) yes
C(5) C(4) C(14) C(19) -55.3(6) yes
C(5) C(6) C(7) C(8) 0.4(7) yes
C(6) C(5) C(1) C(12) 1.3(5) yes
C(6) C(5) C(4) C(14) -10.9(6) yes
C(6) C(7) C(8) C(9) 173.8(4) yes
C(6) C(7) C(8) C(12) -2.1(6) yes
C(7) C(8) C(9) C(10) -171.6(4) yes
C(7) C(8) C(9) C(20) 7.1(6) yes
C(8) C(9) C(10) C(11) -6.3(6) yes
C(8) C(9) C(20) C(21) 60.1(6) yes
C(8) C(9) C(20) C(25) -122.6(5) yes
C(8) C(12) N(2) C(11) -7.6(5) yes
C(9) C(10) C(11) C(26) 179.6(4) yes
C(9) C(20) C(21) C(22) 175.9(5) yes
C(9) C(20) C(25) C(24) -177.5(6) yes
C(10) C(9) C(8) C(12) 4.3(5) yes
C(10) C(9) C(20) C(21) -121.2(5) yes
C(10) C(9) C(20) C(25) 56.1(6) yes
C(10) C(11) N(2) C(12) 5.6(5) yes
C(11) N(2) Pt(1) C(27) -28(10) yes
C(11) N(2) Pt(1) C(34) 31.2(3) yes
C(11) C(10) C(9) C(20) 175.0(4) yes
C(12) N(2) Pt(1) C(27) 158(9) yes
C(12) N(2) Pt(1) C(34) -141.5(3) yes
C(12) N(2) C(11) C(26) -172.7(3) yes
C(12) C(8) C(9) C(20) -177.0(4) yes
C(14) C(15) C(16) C(17) -0.9(7) yes
C(14) C(19) C(18) C(17) -1.7(8) yes
C(15) C(14) C(19) C(18) 0.2(7) yes
C(15) C(16) C(17) C(18) -0.6(8) yes
C(16) C(15) C(14) C(19) 1.1(6) yes
C(16) C(17) C(18) C(19) 1.9(8) yes
C(20) C(21) C(22) C(23) 2.4(9) yes
C(20) C(25) C(24) C(23) 0(1) yes
C(21) C(20) C(25) C(24) -0.2(9) yes
C(21) C(22) C(23) C(24) -1(1) yes
C(22) C(21) C(20) C(25) -1.5(8) yes
C(22) C(23) C(24) C(25) 0(1) yes
C(27) Pt(1) C(34) C(35) -110.8(3) yes
C(27) Pt(1) C(34) C(39) 66.1(4) yes
C(27) C(28) C(29) C(30) 1.7(7) yes
C(27) C(32) C(31) C(30) 3.6(7) yes
C(28) C(27) Pt(1) C(34) -98.0(4) yes
C(28) C(27) C(32) C(31) -1.3(6) yes
C(28) C(29) C(30) C(31) 0.5(7) yes
C(28) C(29) C(30) C(33) -179.2(5) yes
C(29) C(28) C(27) C(32) -1.3(7) yes
C(29) C(30) C(31) C(32) -3.0(6) yes
C(32) C(27) Pt(1) C(34) 78.0(4) yes
C(32) C(31) C(30) C(33) 176.7(4) yes
C(34) C(35) C(36) C(37) -0.7(7) yes
C(34) C(39) C(38) C(37) 0.8(7) yes
C(35) C(34) C(39) C(38) -1.6(6) yes
C(35) C(36) C(37) C(38) -0.2(7) yes
C(35) C(36) C(37) C(40) 176.7(4) yes
C(36) C(35) C(34) C(39) 1.5(6) yes
C(36) C(37) C(38) C(39) 0.2(7) yes
C(39) C(38) C(37) C(40) -176.7(4) yes
C(39) C(38) C(37) C(40) -176.7(4) yes
_cod_database_code 8000043