#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/02/7030216.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_7030216
loop_
_publ_author_name
'Zhang, Hua-Xin'
'Kato, Masako'
'Sasaki, Yoichi'
'Ohba, Tadashi'
'Ito, Hiroto'
'Kobayashi, Atsushi'
'Chang, Ho-Chol'
'Uosaki, Kohei'
_publ_section_title
;
 Terpyridine platinum(II) complexes containing triazine di- or
 tri-thiolate bridges: structures, luminescence, electrochemistry, and
 aggregation.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11497
_journal_page_last               11506
_journal_paper_doi               10.1039/c2dt30997a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C47 H52 F12 N10 O2 P2 Pt2 S2 '
_chemical_formula_sum            'C47 H52 F12 N10 O2 P2 Pt2 S2'
_chemical_formula_weight         1533.22
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000(4)
_cell_angle_beta                 132.9798(5)
_cell_angle_gamma                90.0000(4)
_cell_formula_units_Z            4
_cell_length_a                   19.593(4)
_cell_length_b                   27.255(5)
_cell_length_c                   13.952(3)
_cell_measurement_reflns_used    6758
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5450.7(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            18577
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.332
_exptl_absorpt_correction_T_max  0.587
_exptl_absorpt_correction_T_min  0.351
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2984.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.13
_refine_diff_density_min         -1.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6203
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0197P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                4707
_reflns_number_total             6203
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c2dt30997a.txt
_cod_data_source_block           '__complex-3'
_cod_original_cell_volume        5450.4(19)
_cod_original_formula_sum        'C47 H52 F12 N10 O2 P2 Pt2 S2 '
_cod_database_code               7030216
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt(1) Pt 0.361194(11) 0.248498(6) 0.671084(18) 0.02198(6) Uani 1.00 1 d .
S(1) S 0.33190(9) 0.33054(5) 0.66758(15) 0.0306(3) Uani 1.00 1 d .
P(1) P 0.5000 0.32496(8) 0.2500 0.0358(5) Uani 1.00 2 d S
P(2) P 0.0000 0.5000 0.5000 0.0475(8) Uani 1.00 2 d S
F(1) F 0.5000 0.2667(3) 0.2500 0.065(2) Uani 1.00 2 d S
F(2) F 0.3952(2) 0.32448(13) 0.1876(3) 0.0572(10) Uani 1.00 1 d .
F(3) F 0.5371(2) 0.32431(14) 0.3937(3) 0.0586(9) Uani 1.00 1 d .
F(4) F 0.5000 0.3825(3) 0.2500 0.080(2) Uani 1.00 2 d S
F(5) F 0.0015(2) 0.49224(13) 0.3878(3) 0.0608(10) Uani 1.00 1 d .
F(6) F 0.1101(2) 0.50653(14) 0.6049(3) 0.0680(11) Uani 1.00 1 d .
F(7) F -0.0119(2) 0.55802(12) 0.4745(3) 0.0620(10) Uani 1.00 1 d .
O(1) O 0.2999(4) 0.1447(2) 0.1637(5) 0.0942(18) Uani 1.00 1 d .
N(1) N 0.3429(2) 0.22700(16) 0.7907(4) 0.0265(9) Uani 1.00 1 d .
N(2) N 0.3754(2) 0.17734(14) 0.6665(4) 0.0251(9) Uani 1.00 1 d .
N(3) N 0.3840(2) 0.24627(14) 0.5495(4) 0.0245(9) Uani 1.00 1 d .
N(4) N 0.5000 0.3349(2) 0.7500 0.0255(16) Uani 1.00 2 d S
N(5) N 0.4243(2) 0.41054(14) 0.7151(4) 0.0236(9) Uani 1.00 1 d .
N(6) N 0.5000 0.4825(2) 0.7500 0.0280(17) Uani 1.00 2 d S
C(1) C 0.3323(3) 0.25497(19) 0.8579(6) 0.0344(13) Uani 1.00 1 d .
C(2) C 0.3202(4) 0.2357(2) 0.9371(6) 0.0435(15) Uani 1.00 1 d .
C(3) C 0.3211(3) 0.1857(2) 0.9489(6) 0.0476(16) Uani 1.00 1 d .
C(4) C 0.3342(3) 0.1562(2) 0.8822(5) 0.0366(13) Uani 1.00 1 d .
C(5) C 0.3452(3) 0.17664(19) 0.8040(5) 0.0291(11) Uani 1.00 1 d .
C(6) C 0.3599(3) 0.14863(18) 0.7287(5) 0.0289(12) Uani 1.00 1 d .
C(7) C 0.3614(3) 0.09807(19) 0.7190(5) 0.0321(12) Uani 1.00 1 d .
C(8) C 0.3791(3) 0.0794(2) 0.6441(5) 0.0380(14) Uani 1.00 1 d .
C(9) C 0.3925(2) 0.11024(19) 0.5796(5) 0.0323(12) Uani 1.00 1 d .
C(10) C 0.3897(2) 0.15997(19) 0.5913(4) 0.0274(11) Uani 1.00 1 d .
C(11) C 0.3969(2) 0.19962(19) 0.5262(5) 0.0281(11) Uani 1.00 1 d .
C(12) C 0.4134(3) 0.1915(2) 0.4465(5) 0.0374(13) Uani 1.00 1 d .
C(13) C 0.4156(3) 0.2311(2) 0.3857(6) 0.0447(15) Uani 1.00 1 d .
C(14) C 0.4018(3) 0.2770(2) 0.4085(5) 0.0407(14) Uani 1.00 1 d .
C(15) C 0.3854(3) 0.2837(2) 0.4890(5) 0.0310(12) Uani 1.00 1 d .
C(16) C 0.4285(2) 0.36213(18) 0.7156(4) 0.0233(10) Uani 1.00 1 d .
C(17) C 0.5000 0.4334(3) 0.7500 0.0229(18) Uani 1.00 2 d S
C(18) C 0.4202(3) 0.51101(17) 0.7104(5) 0.0282(11) Uani 1.00 1 d .
C(19) C 0.4329(3) 0.52433(19) 0.8274(5) 0.0331(12) Uani 1.00 1 d .
C(20) C 0.3562(3) 0.55876(19) 0.7910(5) 0.0330(12) Uani 1.00 1 d .
C(21) C 0.3758(3) 0.5748(2) 0.9131(6) 0.0499(16) Uani 1.00 1 d .
C(22) C 0.2119(4) 0.0831(2) 0.1540(7) 0.083(2) Uani 1.00 1 d .
C(23) C 0.2782(6) 0.1028(3) 0.1440(7) 0.079(2) Uani 1.00 1 d .
C(24) C 0.3234(6) 0.0690(3) 0.1177(9) 0.111(3) Uani 1.00 1 d .
H(1) H 0.3331 0.2896 0.8513 0.041 Uiso 1.00 1 c R
H(2) H 0.3115 0.2566 0.9824 0.052 Uiso 1.00 1 c R
H(3) H 0.3126 0.1714 1.0025 0.057 Uiso 1.00 1 c R
H(4) H 0.3356 0.1216 0.8908 0.044 Uiso 1.00 1 c R
H(5) H 0.3508 0.0768 0.7616 0.039 Uiso 1.00 1 c R
H(6) H 0.3819 0.0449 0.6376 0.046 Uiso 1.00 1 c R
H(7) H 0.4034 0.0972 0.5279 0.039 Uiso 1.00 1 c R
H(8) H 0.4232 0.1591 0.4329 0.045 Uiso 1.00 1 c R
H(9) H 0.4265 0.2263 0.3296 0.054 Uiso 1.00 1 c R
H(10) H 0.4034 0.3046 0.3685 0.049 Uiso 1.00 1 c R
H(11) H 0.3747 0.3160 0.5020 0.037 Uiso 1.00 1 c R
H(12) H 0.3623 0.4916 0.6474 0.034 Uiso 1.00 1 c R
H(13) H 0.4134 0.5414 0.6656 0.034 Uiso 1.00 1 c R
H(14) H 0.4943 0.5404 0.8946 0.040 Uiso 1.00 1 c R
H(15) H 0.4328 0.4939 0.8661 0.040 Uiso 1.00 1 c R
H(16) H 0.3526 0.5881 0.7458 0.040 Uiso 1.00 1 c R
H(17) H 0.2953 0.5417 0.7299 0.040 Uiso 1.00 1 c R
H(18) H 0.3467 0.5516 0.9297 0.060 Uiso 1.00 1 c R
H(19) H 0.3501 0.6077 0.8990 0.060 Uiso 1.00 1 c R
H(20) H 0.4434 0.5754 0.9887 0.060 Uiso 1.00 1 c R
H(21) H 0.2471 0.0712 0.2433 0.099 Uiso 1.00 1 c R
H(22) H 0.1760 0.0559 0.0920 0.099 Uiso 1.00 1 c R
H(23) H 0.1691 0.1092 0.1334 0.099 Uiso 1.00 1 c R
H(24) H 0.2871 0.0683 0.0234 0.134 Uiso 1.00 1 c R
H(25) H 0.3261 0.0359 0.1476 0.134 Uiso 1.00 1 c R
H(26) H 0.3868 0.0804 0.1648 0.134 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, 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
S(1) Pt(1) N(1) 96.75(14) yes . .
S(1) Pt(1) N(2) 175.28(13) yes . .
S(1) Pt(1) N(3) 101.85(12) yes . .
N(1) Pt(1) N(2) 81.3(2) yes . .
N(1) Pt(1) N(3) 161.34(17) yes . .
N(2) Pt(1) N(3) 80.0(2) yes . .
Pt(1) S(1) C(16) 106.38(19) yes . .
F(1) P(1) F(2) 89.53(14) yes . .
F(1) P(1) F(2) 89.53(14) yes . 2_655
F(1) P(1) F(3) 89.37(15) yes . .
F(1) P(1) F(3) 89.37(15) yes . 2_655
F(1) P(1) F(4) 180.0000 yes . .
F(2) P(1) F(2) 179.1(2) yes . 2_655
F(2) P(1) F(3) 90.0(2) yes . .
F(2) P(1) F(3) 90.0(2) yes . 2_655
F(2) P(1) F(4) 90.47(14) yes . .
F(2) P(1) F(3) 90.0(2) yes 2_655 .
F(2) P(1) F(3) 90.0(2) yes 2_655 2_655
F(2) P(1) F(4) 90.47(14) yes 2_655 .
F(3) P(1) F(3) 178.7(2) yes . 2_655
F(3) P(1) F(4) 90.63(15) yes . .
F(3) P(1) F(4) 90.63(15) yes 2_655 .
F(5) P(2) F(5) 180.0(2) yes . 3_566
F(5) P(2) F(6) 89.8(2) yes . .
F(5) P(2) F(6) 90.2(2) yes . 3_566
F(5) P(2) F(7) 90.6(2) yes . .
F(5) P(2) F(7) 89.4(2) yes . 3_566
F(5) P(2) F(6) 90.2(2) yes 3_566 .
F(5) P(2) F(6) 89.8(2) yes 3_566 3_566
F(5) P(2) F(7) 89.4(2) yes 3_566 .
F(5) P(2) F(7) 90.6(2) yes 3_566 3_566
F(6) P(2) F(6) 180.0(3) yes . 3_566
F(6) P(2) F(7) 89.69(18) yes . .
F(6) P(2) F(7) 90.31(18) yes . 3_566
F(6) P(2) F(7) 90.31(18) yes 3_566 .
F(6) P(2) F(7) 89.69(18) yes 3_566 3_566
F(7) P(2) F(7) 180.0(2) yes . 3_566
Pt(1) N(1) C(1) 128.2(4) yes . .
Pt(1) N(1) C(5) 113.0(5) yes . .
C(1) N(1) C(5) 118.7(6) yes . .
Pt(1) N(2) C(6) 116.9(4) yes . .
Pt(1) N(2) C(10) 118.8(4) yes . .
C(6) N(2) C(10) 123.9(4) yes . .
Pt(1) N(3) C(11) 113.9(4) yes . .
Pt(1) N(3) C(15) 128.1(4) yes . .
C(11) N(3) C(15) 118.0(6) yes . .
C(16) N(4) C(16) 113.5(6) yes . 2_656
C(16) N(5) C(17) 114.1(5) yes . .
C(17) N(6) C(18) 121.8(3) yes . .
C(17) N(6) C(18) 121.8(3) yes . 2_656
C(18) N(6) C(18) 116.4(5) yes . 2_656
N(1) C(1) C(2) 122.7(5) yes . .
C(1) C(2) C(3) 118.7(8) yes . .
C(2) C(3) C(4) 119.3(9) yes . .
C(3) C(4) C(5) 120.4(5) yes . .
N(1) C(5) C(4) 120.2(6) yes . .
N(1) C(5) C(6) 115.0(6) yes . .
C(4) C(5) C(6) 124.8(5) yes . .
N(2) C(6) C(5) 113.3(4) yes . .
N(2) C(6) C(7) 119.0(7) yes . .
C(5) C(6) C(7) 127.7(7) yes . .
C(6) C(7) C(8) 117.8(6) yes . .
C(7) C(8) C(9) 121.1(5) yes . .
C(8) C(9) C(10) 119.0(7) yes . .
N(2) C(10) C(9) 119.1(6) yes . .
N(2) C(10) C(11) 112.3(4) yes . .
C(9) C(10) C(11) 128.5(7) yes . .
N(3) C(11) C(10) 114.9(6) yes . .
N(3) C(11) C(12) 121.5(6) yes . .
C(10) C(11) C(12) 123.6(5) yes . .
C(11) C(12) C(13) 119.5(6) yes . .
C(12) C(13) C(14) 118.4(8) yes . .
C(13) C(14) C(15) 120.5(7) yes . .
N(3) C(15) C(14) 122.1(5) yes . .
S(1) C(16) N(4) 117.2(4) yes . .
S(1) C(16) N(5) 116.4(4) yes . .
N(4) C(16) N(5) 126.5(5) yes . .
N(5) C(17) N(5) 125.2(6) yes . 2_656
N(5) C(17) N(6) 117.4(3) yes . .
N(5) C(17) N(6) 117.4(3) yes 2_656 .
N(6) C(18) C(19) 111.6(3) yes . .
C(18) C(19) C(20) 112.7(4) yes . .
C(19) C(20) C(21) 111.1(4) yes . .
O(1) C(23) C(22) 121.5(11) yes . .
O(1) C(23) C(24) 118.4(12) yes . .
C(22) C(23) C(24) 120.0(7) yes . .
N(1) C(1) H(1) 118.7 no . .
C(2) C(1) H(1) 118.7 no . .
C(1) C(2) H(2) 120.7 no . .
C(3) C(2) H(2) 120.6 no . .
C(2) C(3) H(3) 120.4 no . .
C(4) C(3) H(3) 120.4 no . .
C(3) C(4) H(4) 119.8 no . .
C(5) C(4) H(4) 119.8 no . .
C(6) C(7) H(5) 121.1 no . .
C(8) C(7) H(5) 121.1 no . .
C(7) C(8) H(6) 119.4 no . .
C(9) C(8) H(6) 119.4 no . .
C(8) C(9) H(7) 120.5 no . .
C(10) C(9) H(7) 120.5 no . .
C(11) C(12) H(8) 120.3 no . .
C(13) C(12) H(8) 120.3 no . .
C(12) C(13) H(9) 120.8 no . .
C(14) C(13) H(9) 120.8 no . .
C(13) C(14) H(10) 119.8 no . .
C(15) C(14) H(10) 119.7 no . .
N(3) C(15) H(11) 118.9 no . .
C(14) C(15) H(11) 119.0 no . .
N(6) C(18) H(12) 109.3 no . .
N(6) C(18) H(13) 109.3 no . .
C(19) C(18) H(12) 109.3 no . .
C(19) C(18) H(13) 109.3 no . .
H(12) C(18) H(13) 108.0 no . .
C(18) C(19) H(14) 109.1 no . .
C(18) C(19) H(15) 109.1 no . .
C(20) C(19) H(14) 109.1 no . .
C(20) C(19) H(15) 109.1 no . .
H(14) C(19) H(15) 107.8 no . .
C(19) C(20) H(16) 109.4 no . .
C(19) C(20) H(17) 109.4 no . .
C(21) C(20) H(16) 109.4 no . .
C(21) C(20) H(17) 109.4 no . .
H(16) C(20) H(17) 108.0 no . .
C(20) C(21) H(18) 109.5 no . .
C(20) C(21) H(19) 109.5 no . .
C(20) C(21) H(20) 109.5 no . .
H(18) C(21) H(19) 109.5 no . .
H(18) C(21) H(20) 109.5 no . .
H(19) C(21) H(20) 109.5 no . .
C(23) C(22) H(21) 109.5 no . .
C(23) C(22) H(22) 109.5 no . .
C(23) C(22) H(23) 109.5 no . .
H(21) C(22) H(22) 109.5 no . .
H(21) C(22) H(23) 109.5 no . .
H(22) C(22) H(23) 109.5 no . .
C(23) C(24) H(24) 109.5 no . .
C(23) C(24) H(25) 109.5 no . .
C(23) C(24) H(26) 109.5 no . .
H(24) C(24) H(25) 109.5 no . .
H(24) C(24) H(26) 109.5 no . .
H(25) C(24) H(26) 109.5 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
Pt(1) S(1) 2.3007(14) yes .
Pt(1) N(1) 2.017(6) yes .
Pt(1) N(2) 1.967(3) yes .
Pt(1) N(3) 2.028(7) yes .
S(1) C(16) 1.744(5) yes .
P(1) F(1) 1.588(9) yes .
P(1) F(2) 1.593(4) yes .
P(1) F(2) 1.593(4) yes 2_655
P(1) F(3) 1.600(4) yes .
P(1) F(3) 1.600(4) yes 2_655
P(1) F(4) 1.569(8) yes .
P(2) F(5) 1.600(5) yes .
P(2) F(5) 1.600(5) yes 3_566
P(2) F(6) 1.589(3) yes .
P(2) F(6) 1.589(3) yes 3_566
P(2) F(7) 1.603(3) yes .
P(2) F(7) 1.603(3) yes 3_566
O(1) C(23) 1.183(10) yes .
N(1) C(1) 1.331(10) yes .
N(1) C(5) 1.382(6) yes .
N(2) C(6) 1.348(9) yes .
N(2) C(10) 1.344(9) yes .
N(3) C(11) 1.378(7) yes .
N(3) C(15) 1.337(8) yes .
N(4) C(16) 1.351(6) yes .
N(4) C(16) 1.351(6) yes 2_656
N(5) C(16) 1.322(6) yes .
N(5) C(17) 1.357(6) yes .
N(6) C(17) 1.337(11) yes .
N(6) C(18) 1.475(7) yes .
N(6) C(18) 1.475(7) yes 2_656
C(1) C(2) 1.382(14) yes .
C(2) C(3) 1.372(9) yes .
C(3) C(4) 1.379(12) yes .
C(4) C(5) 1.368(11) yes .
C(5) C(6) 1.476(11) yes .
C(6) C(7) 1.387(7) yes .
C(7) C(8) 1.402(12) yes .
C(8) C(9) 1.381(10) yes .
C(9) C(10) 1.370(7) yes .
C(10) C(11) 1.478(9) yes .
C(11) C(12) 1.371(12) yes .
C(12) C(13) 1.392(11) yes .
C(13) C(14) 1.364(10) yes .
C(14) C(15) 1.374(12) yes .
C(18) C(19) 1.518(11) yes .
C(19) C(20) 1.535(8) yes .
C(20) C(21) 1.531(11) yes .
C(22) C(23) 1.499(18) yes .
C(23) C(24) 1.488(18) yes .
C(1) H(1) 0.950 no .
C(2) H(2) 0.950 no .
C(3) H(3) 0.950 no .
C(4) H(4) 0.950 no .
C(7) H(5) 0.950 no .
C(8) H(6) 0.950 no .
C(9) H(7) 0.950 no .
C(12) H(8) 0.950 no .
C(13) H(9) 0.950 no .
C(14) H(10) 0.950 no .
C(15) H(11) 0.950 no .
C(18) H(12) 0.990 no .
C(18) H(13) 0.990 no .
C(19) H(14) 0.990 no .
C(19) H(15) 0.990 no .
C(20) H(16) 0.990 no .
C(20) H(17) 0.990 no .
C(21) H(18) 0.980 no .
C(21) H(19) 0.980 no .
C(21) H(20) 0.980 no .
C(22) H(21) 0.980 no .
C(22) H(22) 0.980 no .
C(22) H(23) 0.980 no .
C(24) H(24) 0.980 no .
C(24) H(25) 0.980 no .
C(24) H(26) 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Pt(1) N(3) 3.522(3) 7_556
S(1) N(2) 3.530(3) 7_556
S(1) C(10) 3.253(3) 7_556
S(1) C(11) 3.399(4) 7_556
F(1) C(2) 3.349(6) 1_554
F(1) C(2) 3.349(6) 2_656
F(1) C(13) 3.395(10) .
F(1) C(13) 3.395(10) 2_655
F(2) C(3) 3.264(8) 7_556
F(2) C(13) 3.573(9) .
F(2) C(14) 3.263(10) .
F(3) C(1) 3.168(6) 2_656
F(3) C(2) 3.197(6) 2_656
F(3) C(13) 3.431(9) .
F(3) C(14) 3.080(10) .
F(4) C(18) 3.161(9) 3_666
F(4) C(18) 3.161(9) 4_564
F(4) C(19) 3.357(9) 3_666
F(4) C(19) 3.357(9) 4_564
F(5) C(7) 3.214(5) 8_454
F(5) C(8) 3.301(9) 7_556
F(5) C(8) 3.163(6) 8_454
F(5) C(9) 3.322(6) 7_556
F(5) C(24) 3.581(8) 5_455
F(6) C(7) 3.272(7) 6_556
F(7) C(7) 3.314(6) 6_556
F(7) C(9) 3.382(9) 5_455
O(1) C(3) 3.477(14) 1_554
O(1) C(12) 3.190(9) .
O(1) C(13) 3.271(8) .
N(1) C(14) 3.543(7) 7_556
N(1) C(15) 3.394(4) 7_556
N(2) S(1) 3.530(3) 7_556
N(3) Pt(1) 3.522(3) 7_556
C(1) F(3) 3.168(6) 2_656
C(1) C(13) 3.575(7) 7_556
C(1) C(14) 3.517(6) 7_556
C(2) F(1) 3.349(6) 1_556
C(2) F(3) 3.197(6) 2_656
C(3) F(2) 3.264(8) 7_556
C(3) O(1) 3.477(14) 1_556
C(7) F(5) 3.214(5) 8_555
C(7) F(6) 3.272(7) 6_546
C(7) F(7) 3.314(6) 6_546
C(8) F(5) 3.301(9) 7_556
C(8) F(5) 3.163(6) 8_555
C(9) F(5) 3.322(6) 7_556
C(9) F(7) 3.382(9) 5_545
C(10) S(1) 3.253(3) 7_556
C(11) S(1) 3.399(4) 7_556
C(12) O(1) 3.190(9) .
C(13) F(1) 3.395(10) .
C(13) F(2) 3.573(9) .
C(13) F(3) 3.431(9) .
C(13) O(1) 3.271(8) .
C(13) C(1) 3.575(7) 7_556
C(14) F(2) 3.263(10) .
C(14) F(3) 3.080(10) .
C(14) N(1) 3.543(7) 7_556
C(14) C(1) 3.517(6) 7_556
C(15) N(1) 3.394(4) 7_556
C(17) C(21) 3.532(7) 3_667
C(17) C(21) 3.532(7) 4_564
C(18) F(4) 3.161(9) 3_666
C(19) F(4) 3.357(9) 3_666
C(21) C(17) 3.532(7) 3_667
C(24) F(5) 3.581(8) 5_545
S(1) H(23) 3.239 7_556
P(1) H(2) 3.499 1_554
P(1) H(2) 3.499 2_656
P(1) H(9) 3.568 .
P(1) H(9) 3.568 2_655
P(1) H(10) 3.299 .
P(1) H(10) 3.299 2_655
P(2) H(5) 3.276 6_556
P(2) H(5) 3.276 8_454
P(2) H(7) 3.429 5_455
P(2) H(7) 3.429 7_556
F(1) H(2) 2.975 1_554
F(1) H(2) 2.975 2_656
F(1) H(9) 2.589 .
F(1) H(9) 2.589 2_655
F(1) H(10) 3.412 .
F(1) H(10) 3.412 2_655
F(2) H(2) 2.812 1_554
F(2) H(3) 2.984 7_556
F(2) H(9) 3.132 .
F(2) H(10) 2.476 .
F(2) H(16) 2.821 4_564
F(3) H(1) 2.772 2_656
F(3) H(2) 2.863 2_656
F(3) H(9) 3.162 .
F(3) H(10) 2.453 .
F(3) H(16) 3.586 4_564
F(3) H(23) 3.061 8_555
F(4) H(13) 2.417 3_666
F(4) H(13) 2.417 4_564
F(4) H(14) 2.967 3_666
F(4) H(14) 2.967 4_564
F(4) H(16) 2.959 3_666
F(4) H(16) 2.959 4_564
F(5) H(5) 2.877 8_454
F(5) H(6) 2.732 7_556
F(5) H(6) 2.747 8_454
F(5) H(7) 2.794 7_556
F(5) H(25) 2.959 5_455
F(5) H(26) 3.313 5_455
F(6) H(4) 3.298 6_556
F(6) H(5) 2.403 6_556
F(6) H(7) 3.291 7_556
F(6) H(17) 2.914 .
F(6) H(21) 2.953 7_556
F(6) H(25) 2.989 7_556
F(7) H(4) 3.100 6_556
F(7) H(5) 2.817 6_556
F(7) H(7) 2.478 5_455
F(7) H(8) 2.922 5_455
F(7) H(21) 3.473 5_455
F(7) H(25) 3.391 5_455
F(7) H(26) 3.360 5_455
O(1) H(1) 3.049 7_556
O(1) H(2) 3.176 7_556
O(1) H(3) 2.534 1_554
O(1) H(8) 2.779 .
O(1) H(9) 2.936 .
N(1) H(11) 3.533 7_556
N(5) H(18) 3.313 4_564
N(5) H(20) 3.056 3_667
N(5) H(20) 3.445 4_564
N(6) H(18) 3.399 3_667
N(6) H(18) 3.399 4_564
N(6) H(20) 3.391 3_667
N(6) H(20) 3.391 4_564
C(2) H(2) 3.453 7_557
C(3) H(10) 3.531 7_556
C(3) H(24) 3.563 1_556
C(4) H(10) 3.585 7_556
C(4) H(16) 3.335 6_546
C(4) H(19) 3.296 6_546
C(4) H(24) 3.599 1_556
C(5) H(11) 3.427 7_556
C(5) H(19) 3.379 6_546
C(6) H(11) 3.499 7_556
C(6) H(19) 3.369 6_546
C(7) H(18) 3.316 6_546
C(7) H(19) 3.263 6_546
C(8) H(25) 3.319 4_555
C(14) H(19) 3.276 4_564
C(15) H(19) 3.103 4_564
C(16) H(20) 3.478 3_667
C(17) H(18) 3.295 3_667
C(17) H(18) 3.295 4_564
C(17) H(20) 3.011 3_667
C(17) H(20) 3.011 4_564
C(18) H(18) 3.554 4_564
C(18) H(22) 3.465 6_555
C(18) H(24) 3.393 6_555
C(19) H(14) 3.557 3_667
C(19) H(15) 3.181 3_667
C(19) H(20) 3.372 3_667
C(20) H(4) 3.239 6_556
C(20) H(24) 3.226 6_555
C(21) H(4) 3.579 6_556
C(21) H(5) 3.301 6_556
C(21) H(10) 3.455 4_565
C(21) H(11) 3.230 4_565
C(21) H(15) 3.363 3_667
C(22) H(1) 3.568 7_556
C(22) H(13) 3.504 6_545
C(22) H(14) 3.404 5_444
C(22) H(15) 3.382 7_556
C(23) H(3) 3.109 1_554
C(23) H(8) 3.325 .
C(24) H(3) 3.157 1_554
C(24) H(6) 3.253 4_554
C(24) H(13) 3.565 6_545
H(1) F(3) 2.772 2_656
H(1) O(1) 3.049 7_556
H(1) C(22) 3.568 7_556
H(1) H(23) 2.770 7_556
H(2) P(1) 3.499 1_556
H(2) F(1) 2.975 1_556
H(2) F(2) 2.812 1_556
H(2) F(3) 2.863 2_656
H(2) O(1) 3.176 7_556
H(2) C(2) 3.453 7_557
H(2) H(2) 2.792 7_557
H(2) H(3) 3.241 7_557
H(3) F(2) 2.984 7_556
H(3) O(1) 2.534 1_556
H(3) C(23) 3.109 1_556
H(3) C(24) 3.157 1_556
H(3) H(2) 3.241 7_557
H(3) H(16) 3.515 6_546
H(3) H(24) 2.905 1_556
H(3) H(26) 2.984 1_556
H(4) F(6) 3.298 6_546
H(4) F(7) 3.100 6_546
H(4) C(20) 3.239 6_546
H(4) C(21) 3.579 6_546
H(4) H(16) 2.912 6_546
H(4) H(17) 2.874 6_546
H(4) H(19) 3.109 6_546
H(4) H(24) 2.973 1_556
H(4) H(26) 3.413 1_556
H(5) P(2) 3.276 6_546
H(5) F(5) 2.877 8_555
H(5) F(6) 2.403 6_546
H(5) F(7) 2.817 6_546
H(5) C(21) 3.301 6_546
H(5) H(17) 3.093 6_546
H(5) H(18) 2.912 6_546
H(5) H(19) 3.031 6_546
H(5) H(25) 3.339 4_555
H(6) F(5) 2.732 7_556
H(6) F(5) 2.747 8_555
H(6) C(24) 3.253 4_555
H(6) H(24) 3.386 4_555
H(6) H(25) 2.504 4_555
H(6) H(26) 3.430 4_555
H(7) P(2) 3.429 5_545
H(7) F(5) 2.794 7_556
H(7) F(6) 3.291 7_556
H(7) F(7) 2.478 5_545
H(7) H(21) 3.011 .
H(8) F(7) 2.922 5_545
H(8) O(1) 2.779 .
H(8) C(23) 3.325 .
H(8) H(21) 3.492 .
H(9) P(1) 3.568 .
H(9) F(1) 2.589 .
H(9) F(2) 3.132 .
H(9) F(3) 3.162 .
H(9) O(1) 2.936 .
H(10) P(1) 3.299 .
H(10) F(1) 3.412 .
H(10) F(2) 2.476 .
H(10) F(3) 2.453 .
H(10) C(3) 3.531 7_556
H(10) C(4) 3.585 7_556
H(10) C(21) 3.455 4_564
H(10) H(16) 3.187 4_564
H(10) H(19) 2.756 4_564
H(10) H(20) 3.511 4_564
H(11) N(1) 3.533 7_556
H(11) C(5) 3.427 7_556
H(11) C(6) 3.499 7_556
H(11) C(21) 3.230 4_564
H(11) H(19) 2.384 4_564
H(11) H(20) 3.308 4_564
H(12) H(18) 3.073 4_564
H(12) H(22) 3.373 6_555
H(12) H(24) 3.019 6_555
H(12) H(25) 3.363 6_555
H(13) F(4) 2.417 3_666
H(13) C(22) 3.504 6_555
H(13) C(24) 3.565 6_555
H(13) H(22) 2.749 6_555
H(13) H(24) 2.966 6_555
H(14) F(4) 2.967 3_666
H(14) C(19) 3.557 3_667
H(14) C(22) 3.404 5_556
H(14) H(14) 3.558 3_667
H(14) H(15) 2.750 3_667
H(14) H(18) 3.404 3_667
H(14) H(20) 3.376 3_667
H(14) H(22) 2.659 5_556
H(14) H(23) 3.284 5_556
H(15) C(19) 3.181 3_667
H(15) C(21) 3.363 3_667
H(15) C(22) 3.382 7_556
H(15) H(14) 2.750 3_667
H(15) H(15) 2.755 3_667
H(15) H(18) 3.397 3_667
H(15) H(20) 2.619 3_667
H(15) H(21) 3.252 7_556
H(15) H(22) 2.905 7_556
H(15) H(23) 3.450 7_556
H(16) F(2) 2.821 4_565
H(16) F(3) 3.586 4_565
H(16) F(4) 2.959 3_666
H(16) C(4) 3.335 6_556
H(16) H(3) 3.515 6_556
H(16) H(4) 2.912 6_556
H(16) H(10) 3.187 4_565
H(16) H(24) 2.806 6_555
H(17) F(6) 2.914 .
H(17) H(4) 2.874 6_556
H(17) H(5) 3.093 6_556
H(17) H(21) 3.275 7_556
H(17) H(22) 3.416 7_556
H(17) H(24) 2.801 6_555
H(18) N(5) 3.313 4_565
H(18) N(6) 3.399 3_667
H(18) C(7) 3.316 6_556
H(18) C(17) 3.295 3_667
H(18) C(18) 3.554 4_565
H(18) H(5) 2.912 6_556
H(18) H(12) 3.073 4_565
H(18) H(14) 3.404 3_667
H(18) H(15) 3.397 3_667
H(18) H(22) 2.950 7_556
H(19) C(4) 3.296 6_556
H(19) C(5) 3.379 6_556
H(19) C(6) 3.369 6_556
H(19) C(7) 3.263 6_556
H(19) C(14) 3.276 4_565
H(19) C(15) 3.103 4_565
H(19) H(4) 3.109 6_556
H(19) H(5) 3.031 6_556
H(19) H(10) 2.756 4_565
H(19) H(11) 2.384 4_565
H(20) N(5) 3.056 3_667
H(20) N(5) 3.445 4_565
H(20) N(6) 3.391 3_667
H(20) C(16) 3.478 3_667
H(20) C(17) 3.011 3_667
H(20) C(19) 3.372 3_667
H(20) H(10) 3.511 4_565
H(20) H(11) 3.308 4_565
H(20) H(14) 3.376 3_667
H(20) H(15) 2.619 3_667
H(20) H(23) 3.509 5_556
H(21) F(6) 2.953 7_556
H(21) F(7) 3.473 5_545
H(21) H(7) 3.011 .
H(21) H(8) 3.492 .
H(21) H(15) 3.252 7_556
H(21) H(17) 3.275 7_556
H(22) C(18) 3.465 6_545
H(22) H(12) 3.373 6_545
H(22) H(13) 2.749 6_545
H(22) H(14) 2.659 5_444
H(22) H(15) 2.905 7_556
H(22) H(17) 3.416 7_556
H(22) H(18) 2.950 7_556
H(23) S(1) 3.239 7_556
H(23) F(3) 3.061 8_454
H(23) H(1) 2.770 7_556
H(23) H(14) 3.284 5_444
H(23) H(15) 3.450 7_556
H(23) H(20) 3.509 5_444
H(24) C(3) 3.563 1_554
H(24) C(4) 3.599 1_554
H(24) C(18) 3.393 6_545
H(24) C(20) 3.226 6_545
H(24) H(3) 2.905 1_554
H(24) H(4) 2.973 1_554
H(24) H(6) 3.386 4_554
H(24) H(12) 3.019 6_545
H(24) H(13) 2.966 6_545
H(24) H(16) 2.806 6_545
H(24) H(17) 2.801 6_545
H(25) F(5) 2.959 5_545
H(25) F(6) 2.989 7_556
H(25) F(7) 3.391 5_545
H(25) C(8) 3.319 4_554
H(25) H(5) 3.339 4_554
H(25) H(6) 2.504 4_554
H(25) H(12) 3.363 6_545
H(26) F(5) 3.313 5_545
H(26) F(7) 3.360 5_545
H(26) H(3) 2.984 1_554
H(26) H(4) 3.413 1_554
H(26) H(6) 3.430 4_554
H(26) H(26) 3.308 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_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
S(1) Pt(1) N(1) C(1) -9.1(3) . . .
S(1) Pt(1) N(1) C(5) 173.1(2) . . .
N(1) Pt(1) S(1) C(16) 125.3(2) . . .
S(1) Pt(1) N(2) C(6) -61(2) . . .
S(1) Pt(1) N(2) C(10) 112(2) . . .
N(2) Pt(1) S(1) C(16) -169(2) . . .
S(1) Pt(1) N(3) C(11) -175.5(2) . . .
S(1) Pt(1) N(3) C(15) 2.7(3) . . .
N(3) Pt(1) S(1) C(16) -56.3(2) . . .
N(1) Pt(1) N(2) C(6) 5.3(2) . . .
N(1) Pt(1) N(2) C(10) 178.2(2) . . .
N(2) Pt(1) N(1) C(1) 175.3(3) . . .
N(2) Pt(1) N(1) C(5) -2.5(2) . . .
N(1) Pt(1) N(3) C(11) -0.3(3) . . .
N(1) Pt(1) N(3) C(15) 177.9(3) . . .
N(3) Pt(1) N(1) C(1) 175.6(3) . . .
N(3) Pt(1) N(1) C(5) -2.2(5) . . .
N(2) Pt(1) N(3) C(11) 0.09(19) . . .
N(2) Pt(1) N(3) C(15) 178.3(3) . . .
N(3) Pt(1) N(2) C(6) -174.5(2) . . .
N(3) Pt(1) N(2) C(10) -1.6(2) . . .
Pt(1) S(1) C(16) N(4) -3.0(4) . . .
Pt(1) S(1) C(16) N(5) 177.3(4) . . .
Pt(1) N(1) C(1) C(2) 180.0(3) . . .
Pt(1) N(1) C(5) C(4) 179.8(3) . . .
Pt(1) N(1) C(5) C(6) -0.3(4) . . .
C(1) N(1) C(5) C(4) 1.8(5) . . .
C(1) N(1) C(5) C(6) -178.3(3) . . .
C(5) N(1) C(1) C(2) -2.3(6) . . .
Pt(1) N(2) C(6) C(5) -6.9(4) . . .
Pt(1) N(2) C(6) C(7) 174.6(2) . . .
Pt(1) N(2) C(10) C(9) -174.9(2) . . .
Pt(1) N(2) C(10) C(11) 2.7(4) . . .
C(6) N(2) C(10) C(9) -2.6(5) . . .
C(6) N(2) C(10) C(11) 175.1(3) . . .
C(10) N(2) C(6) C(5) -179.4(3) . . .
C(10) N(2) C(6) C(7) 2.1(5) . . .
Pt(1) N(3) C(11) C(10) 1.3(3) . . .
Pt(1) N(3) C(11) C(12) -179.8(2) . . .
Pt(1) N(3) C(15) C(14) -180.0(2) . . .
C(11) N(3) C(15) C(14) -1.9(5) . . .
C(15) N(3) C(11) C(10) -177.1(3) . . .
C(15) N(3) C(11) C(12) 1.8(5) . . .
C(16) N(4) C(16) S(1) 179.3(3) . 2_656 2_656
C(16) N(4) C(16) N(5) -1.0(7) . 2_656 2_656
C(16) N(4) C(16) S(1) 179.3(3) 2_656 . .
C(16) N(4) C(16) N(5) -1.0(7) 2_656 . .
C(16) N(5) C(17) N(5) -0.8(6) . . 2_656
C(16) N(5) C(17) N(6) 179.2(3) . . .
C(17) N(5) C(16) S(1) -178.5(3) . . .
C(17) N(5) C(16) N(4) 1.8(8) . . .
C(17) N(6) C(18) C(19) 93.3(3) . . .
C(18) N(6) C(17) N(5) -1.6(3) . . .
C(18) N(6) C(17) N(5) 178.4(3) . . 2_656
C(17) N(6) C(18) C(19) 93.3(3) . 2_656 2_656
C(18) N(6) C(17) N(5) 178.4(3) 2_656 . .
C(18) N(6) C(17) N(5) -1.6(3) 2_656 . 2_656
C(18) N(6) C(18) C(19) -86.7(5) . 2_656 2_656
C(18) N(6) C(18) C(19) -86.7(5) 2_656 . .
N(1) C(1) C(2) C(3) 1.3(7) . . .
C(1) C(2) C(3) C(4) 0.3(5) . . .
C(2) C(3) C(4) C(5) -0.8(6) . . .
C(3) C(4) C(5) N(1) -0.2(4) . . .
C(3) C(4) C(5) C(6) 179.9(3) . . .
N(1) C(5) C(6) N(2) 4.6(4) . . .
N(1) C(5) C(6) C(7) -177.1(3) . . .
C(4) C(5) C(6) N(2) -175.5(3) . . .
C(4) C(5) C(6) C(7) 2.8(6) . . .
N(2) C(6) C(7) C(8) -0.1(4) . . .
C(5) C(6) C(7) C(8) -178.3(3) . . .
C(6) C(7) C(8) C(9) -1.5(5) . . .
C(7) C(8) C(9) C(10) 1.1(5) . . .
C(8) C(9) C(10) N(2) 0.9(5) . . .
C(8) C(9) C(10) C(11) -176.3(3) . . .
N(2) C(10) C(11) N(3) -2.5(4) . . .
N(2) C(10) C(11) C(12) 178.6(3) . . .
C(9) C(10) C(11) N(3) 174.8(3) . . .
C(9) C(10) C(11) C(12) -4.1(6) . . .
N(3) C(11) C(12) C(13) -1.1(5) . . .
C(10) C(11) C(12) C(13) 177.7(3) . . .
C(11) C(12) C(13) C(14) 0.4(6) . . .
C(12) C(13) C(14) C(15) -0.5(6) . . .
C(13) C(14) C(15) N(3) 1.2(6) . . .
N(6) C(18) C(19) C(20) 173.7(4) . . .
C(18) C(19) C(20) C(21) -175.2(4) . . .
