#------------------------------------------------------------------------------
#$Date: 2019-11-24 16:34:38 +0200 (Sun, 24 Nov 2019) $
#$Revision: 238590 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/77/7237761.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_7237761
loop_
_publ_author_name
'Sicilia, Violeta'
'Fuertes, Sara'
'Chueca, Andrés J.'
'Arnal, Lorenzo'
'Martín, Antonio'
'Perálvarez, Mariano'
'Botta, Chiara'
'Giovanella, Umberto'
_publ_section_title
;
 Highly efficient platinum-based emitters for warm white light emitting
 diodes
;
_journal_issue                   15
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4509
_journal_paper_doi               10.1039/C9TC00747D
_journal_volume                  7
_journal_year                    2019
_chemical_formula_moiety         '(C44 H35 F6 N2 P3 Pt), 0.5(C H2 Cl2)'
_chemical_formula_sum            'C44.5 H36 Cl F6 N2 P3 Pt'
_chemical_formula_weight         1036.20
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-12-14 deposited with the CCDC.	2019-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                92.123(5)
_cell_angle_beta                 101.549(5)
_cell_angle_gamma                105.048(5)
_cell_formula_units_Z            2
_cell_length_a                   10.618(5)
_cell_length_b                   12.761(5)
_cell_length_c                   15.582(5)
_cell_measurement_reflns_used    17820
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.9280
_cell_measurement_theta_min      4.1910
_cell_volume                     1988.8(14)
_computing_cell_refinement
;
'Fri Nov 20 08:58:09 2015'
;
_computing_data_collection
;
'Fri Nov 20 08:58:09 2015'
;
_computing_data_reduction
;
'Fri Nov 20 08:58:09 2015'
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38762
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.24
_diffrn_reflns_theta_min         4.21
_exptl_absorpt_coefficient_mu    3.780
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.505
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         10451
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+2.0567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                9244
_reflns_number_total             10451
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9tc00747d2.cif
_cod_data_source_block           3A
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C44.50 H36 Cl F6 N2 P3 Pt'
_cod_database_code               7237761
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.200191(11) 0.331147(9) 0.320149(7) 0.01867(4) Uani 1 1 d .
P2 P 0.24902(8) 0.37084(6) 0.18648(5) 0.02032(16) Uani 1 1 d .
P1 P 0.36248(8) 0.24038(6) 0.32619(5) 0.01853(15) Uani 1 1 d .
P3 P 0.76722(9) 0.01567(7) 0.27775(6) 0.02702(18) Uani 1 1 d .
C6 C 0.0578(3) 0.4177(2) 0.3175(2) 0.0190(6) Uani 1 1 d .
C39 C 0.4121(3) 0.3514(2) 0.1838(2) 0.0213(6) Uani 1 1 d .
F6 F 0.8885(2) -0.0027(2) 0.34943(14) 0.0421(5) Uani 1 1 d .
C1 C 0.1231(3) 0.2772(2) 0.4270(2) 0.0212(6) Uani 1 1 d .
N1 N 0.1286(3) 0.2028(2) 0.48580(17) 0.0239(5) Uani 1 1 d .
F4 F 0.6475(2) 0.0355(2) 0.20660(15) 0.0485(6) Uani 1 1 d .
F3 F 0.7075(2) 0.05632(19) 0.35498(14) 0.0396(5) Uani 1 1 d .
F5 F 0.8268(2) -0.0259(2) 0.20110(14) 0.0449(6) Uani 1 1 d .
C38 C 0.4660(3) 0.2939(2) 0.2494(2) 0.0219(6) Uani 1 1 d .
F1 F 0.6815(3) -0.10576(18) 0.28297(17) 0.0491(6) Uani 1 1 d .
C60 C 0.3005(3) 0.0953(2) 0.29251(19) 0.0202(6) Uani 1 1 d .
N2 N 0.0193(3) 0.3164(2) 0.43871(17) 0.0227(5) Uani 1 1 d .
C80 C 0.1290(3) 0.2736(2) 0.10178(19) 0.0225(6) Uani 1 1 d .
C7 C 0.0271(3) 0.4946(3) 0.2637(2) 0.0250(7) Uani 1 1 d .
H7 H 0.0735 0.5128 0.2193 0.030 Uiso 1 1 calc R
C100 C 0.2644(3) 0.5035(3) 0.1449(2) 0.0227(6) Uani 1 1 d .
F2 F 0.8532(3) 0.13720(19) 0.27396(18) 0.0556(7) Uani 1 1 d .
C5 C -0.0163(3) 0.3946(2) 0.3838(2) 0.0223(6) Uani 1 1 d .
C64 C 0.3357(3) -0.0759(3) 0.2495(2) 0.0300(7) Uani 1 1 d .
H64 H 0.3929 -0.1158 0.2371 0.036 Uiso 1 1 calc R
C61 C 0.1650(3) 0.0436(3) 0.2854(2) 0.0220(6) Uani 1 1 d .
H61 H 0.1071 0.0836 0.2961 0.026 Uiso 1 1 calc R
C43 C 0.5923(3) 0.2781(3) 0.2525(2) 0.0244(6) Uani 1 1 d .
H43 H 0.6288 0.2406 0.2965 0.029 Uiso 1 1 calc R
C62 C 0.1173(3) -0.0685(3) 0.2621(2) 0.0244(6) Uani 1 1 d .
H62 H 0.0276 -0.1034 0.2584 0.029 Uiso 1 1 calc R
C65 C 0.3839(3) 0.0348(3) 0.2727(2) 0.0263(7) Uani 1 1 d .
H65 H 0.4734 0.0692 0.2752 0.032 Uiso 1 1 calc R
C72 C 0.6276(3) 0.1963(3) 0.5456(2) 0.0298(7) Uani 1 1 d .
H72 H 0.6618 0.1409 0.5691 0.036 Uiso 1 1 calc R
C40 C 0.4851(3) 0.3927(3) 0.1213(2) 0.0262(7) Uani 1 1 d .
H40 H 0.4497 0.4311 0.0775 0.031 Uiso 1 1 calc R
C9 C -0.1039(3) 0.6259(3) 0.2161(3) 0.0310(8) Uani 1 1 d .
H9 H -0.0588 0.6434 0.1709 0.037 Uiso 1 1 calc R
C71 C 0.5371(3) 0.1759(3) 0.4654(2) 0.0276(7) Uani 1 1 d .
H71 H 0.5110 0.1069 0.4351 0.033 Uiso 1 1 calc R
C81 C 0.1582(4) 0.2469(3) 0.0213(2) 0.0374(9) Uani 1 1 d .
H81 H 0.2398 0.2822 0.0087 0.045 Uiso 1 1 calc R
C42 C 0.6626(3) 0.3187(3) 0.1897(2) 0.0283(7) Uani 1 1 d .
H42 H 0.7458 0.3070 0.1910 0.034 Uiso 1 1 calc R
C4 C 0.2244(4) 0.1385(3) 0.5034(2) 0.0334(8) Uani 1 1 d .
H4A H 0.2501 0.1220 0.4499 0.050 Uiso 1 1 calc R
H4B H 0.1843 0.0718 0.5259 0.050 Uiso 1 1 calc R
H4C H 0.3019 0.1791 0.5460 0.050 Uiso 1 1 calc R
C11 C -0.2697(4) 0.6497(3) 0.2948(3) 0.0359(9) Uani 1 1 d .
H11 H -0.3341 0.6846 0.3021 0.043 Uiso 1 1 calc R
C2 C 0.0302(3) 0.1957(3) 0.5332(2) 0.0283(7) Uani 1 1 d .
H2 H 0.0147 0.1503 0.5775 0.034 Uiso 1 1 calc R
C85 C 0.0063(3) 0.2192(3) 0.1187(2) 0.0286(7) Uani 1 1 d .
H85 H -0.0147 0.2355 0.1719 0.034 Uiso 1 1 calc R
C3 C -0.0388(3) 0.2662(3) 0.5037(2) 0.0281(7) Uani 1 1 d .
H3 H -0.1113 0.2789 0.5231 0.034 Uiso 1 1 calc R
C12 C -0.2436(3) 0.5737(3) 0.3498(3) 0.0315(8) Uani 1 1 d .
H12 H -0.2911 0.5564 0.3938 0.038 Uiso 1 1 calc R
C75 C 0.5269(3) 0.3613(3) 0.4753(2) 0.0287(7) Uani 1 1 d .
H75 H 0.4930 0.4170 0.4522 0.034 Uiso 1 1 calc R
C84 C -0.0850(4) 0.1409(3) 0.0570(2) 0.0347(8) Uani 1 1 d .
H84 H -0.1672 0.1054 0.0688 0.042 Uiso 1 1 calc R
C14 C -0.1130(3) 0.4428(3) 0.3967(2) 0.0273(7) Uani 1 1 d .
H14 H -0.1573 0.4245 0.4421 0.033 Uiso 1 1 calc R
C105 C 0.3728(3) 0.5893(3) 0.1864(2) 0.0279(7) Uani 1 1 d .
H105 H 0.4324 0.5779 0.2353 0.033 Uiso 1 1 calc R
C13 C -0.1443(3) 0.5206(3) 0.3404(2) 0.0262(7) Uani 1 1 d .
C102 C 0.1936(4) 0.6264(3) 0.0446(2) 0.0343(8) Uani 1 1 d .
H102 H 0.1315 0.6395 -0.0021 0.041 Uiso 1 1 calc R
C83 C -0.0548(4) 0.1154(3) -0.0217(2) 0.0352(8) Uani 1 1 d .
H83 H -0.1163 0.0626 -0.0630 0.042 Uiso 1 1 calc R
C74 C 0.6192(4) 0.3816(3) 0.5550(2) 0.0337(8) Uani 1 1 d .
H74 H 0.6486 0.4512 0.5843 0.040 Uiso 1 1 calc R
C10 C -0.1999(4) 0.6761(3) 0.2269(3) 0.0364(9) Uani 1 1 d .
H10 H -0.2192 0.7276 0.1894 0.044 Uiso 1 1 calc R
C8 C -0.0724(3) 0.5475(2) 0.2729(2) 0.0261(7) Uani 1 1 d .
C101 C 0.1759(4) 0.5224(3) 0.0726(2) 0.0305(7) Uani 1 1 d .
H101 H 0.1047 0.4654 0.0428 0.037 Uiso 1 1 calc R
C41 C 0.6098(3) 0.3767(3) 0.1247(2) 0.0300(7) Uani 1 1 d .
H41 H 0.6585 0.4048 0.0833 0.036 Uiso 1 1 calc R
C82 C 0.0664(4) 0.1684(3) -0.0391(2) 0.0418(9) Uani 1 1 d .
H82 H 0.0867 0.1510 -0.0923 0.050 Uiso 1 1 calc R
C73 C 0.6674(4) 0.2991(3) 0.5909(2) 0.0322(8) Uani 1 1 d .
H73 H 0.7265 0.3122 0.6454 0.039 Uiso 1 1 calc R
C70 C 0.4848(3) 0.2582(2) 0.4298(2) 0.0210(6) Uani 1 1 d .
C103 C 0.3018(4) 0.7099(3) 0.0853(2) 0.0337(8) Uani 1 1 d .
H103 H 0.3141 0.7789 0.0655 0.040 Uiso 1 1 calc R
C104 C 0.3927(4) 0.6913(3) 0.1559(2) 0.0337(8) Uani 1 1 d .
H104 H 0.4672 0.7474 0.1828 0.040 Uiso 1 1 calc R
C63 C 0.2021(3) -0.1277(3) 0.2446(2) 0.0266(7) Uani 1 1 d .
H63 H 0.1697 -0.2025 0.2294 0.032 Uiso 1 1 calc R
Cl1 Cl 0.6024(4) 0.9445(5) -0.0433(3) 0.138(2) Uani 0.50 1 d PD
Cl2 Cl 0.4566(5) 1.0783(5) 0.0073(4) 0.196(5) Uani 0.50 1 d PD
C200 C 0.4713(9) 0.9448(6) 0.0094(8) 0.093(6) Uani 0.50 1 d PD
H20A H 0.3891 0.8931 -0.0218 0.112 Uiso 0.50 1 calc PR
H20B H 0.4922 0.9263 0.0694 0.112 Uiso 0.50 1 calc PR
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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables 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_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Pt1 C6 79.30(12) . .
C1 Pt1 P2 169.35(9) . .
C6 Pt1 P2 97.55(9) . .
C1 Pt1 P1 100.66(9) . .
C6 Pt1 P1 178.08(8) . .
P2 Pt1 P1 82.83(3) . .
C80 P2 C100 106.05(14) . .
C80 P2 C39 106.46(15) . .
C100 P2 C39 101.15(15) . .
C80 P2 Pt1 108.66(11) . .
C100 P2 Pt1 123.99(11) . .
C39 P2 Pt1 109.23(10) . .
C60 P1 C38 104.48(14) . .
C60 P1 C70 107.50(14) . .
C38 P1 C70 102.53(15) . .
C60 P1 Pt1 115.04(10) . .
C38 P1 Pt1 108.90(11) . .
C70 P1 Pt1 116.95(10) . .
F4 P3 F2 89.96(15) . .
F4 P3 F5 90.13(13) . .
F2 P3 F5 90.22(14) . .
F4 P3 F1 90.53(15) . .
F2 P3 F1 179.22(15) . .
F5 P3 F1 90.38(14) . .
F4 P3 F3 90.20(12) . .
F2 P3 F3 90.19(14) . .
F5 P3 F3 179.47(13) . .
F1 P3 F3 89.20(13) . .
F4 P3 F6 179.27(15) . .
F2 P3 F6 89.32(14) . .
F5 P3 F6 90.01(12) . .
F1 P3 F6 90.19(14) . .
F3 P3 F6 89.67(12) . .
C7 C6 C5 115.3(3) . .
C7 C6 Pt1 130.7(2) . .
C5 C6 Pt1 113.9(2) . .
C38 C39 C40 119.5(3) . .
C38 C39 P2 117.1(2) . .
C40 C39 P2 123.4(2) . .
N1 C1 N2 104.5(3) . .
N1 C1 Pt1 140.8(2) . .
N2 C1 Pt1 114.0(2) . .
C1 N1 C2 110.7(3) . .
C1 N1 C4 127.7(3) . .
C2 N1 C4 121.6(3) . .
C39 C38 C43 120.1(3) . .
C39 C38 P1 116.5(2) . .
C43 C38 P1 123.4(2) . .
C65 C60 C61 119.2(3) . .
C65 C60 P1 121.6(2) . .
C61 C60 P1 119.2(2) . .
C1 N2 C3 110.9(3) . .
C1 N2 C5 118.8(3) . .
C3 N2 C5 130.2(3) . .
C85 C80 C81 118.5(3) . .
C85 C80 P2 119.1(2) . .
C81 C80 P2 122.3(3) . .
C6 C7 C8 123.0(3) . .
C6 C7 H7 118.5 . .
C8 C7 H7 118.5 . .
C101 C100 C105 118.8(3) . .
C101 C100 P2 123.2(3) . .
C105 C100 P2 117.9(2) . .
C14 C5 C6 124.8(3) . .
C14 C5 N2 121.3(3) . .
C6 C5 N2 113.8(3) . .
C65 C64 C63 120.0(3) . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C62 C61 C60 119.5(3) . .
C62 C61 H61 120.2 . .
C60 C61 H61 120.2 . .
C42 C43 C38 119.7(3) . .
C42 C43 H43 120.2 . .
C38 C43 H43 120.2 . .
C63 C62 C61 120.5(3) . .
C63 C62 H62 119.8 . .
C61 C62 H62 119.8 . .
C64 C65 C60 120.8(3) . .
C64 C65 H65 119.6 . .
C60 C65 H65 119.6 . .
C71 C72 C73 120.1(3) . .
C71 C72 H72 119.9 . .
C73 C72 H72 119.9 . .
C41 C40 C39 120.1(3) . .
C41 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C10 C9 C8 120.8(4) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C72 C71 C70 120.4(3) . .
C72 C71 H71 119.8 . .
C70 C71 H71 119.8 . .
C82 C81 C80 120.2(4) . .
C82 C81 H81 119.9 . .
C80 C81 H81 119.9 . .
C43 C42 C41 120.5(3) . .
C43 C42 H42 119.7 . .
C41 C42 H42 119.7 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C12 C11 C10 120.7(3) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C3 C2 N1 107.5(3) . .
C3 C2 H2 126.2 . .
N1 C2 H2 126.2 . .
C84 C85 C80 120.5(3) . .
C84 C85 H85 119.7 . .
C80 C85 H85 119.7 . .
C2 C3 N2 106.3(3) . .
C2 C3 H3 126.8 . .
N2 C3 H3 126.8 . .
C11 C12 C13 120.4(4) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C74 C75 C70 120.4(3) . .
C74 C75 H75 119.8 . .
C70 C75 H75 119.8 . .
C83 C84 C85 120.3(4) . .
C83 C84 H84 119.9 . .
C85 C84 H84 119.9 . .
C5 C14 C13 119.1(3) . .
C5 C14 H14 120.5 . .
C13 C14 H14 120.5 . .
C104 C105 C100 120.7(3) . .
C104 C105 H105 119.7 . .
C100 C105 H105 119.7 . .
C14 C13 C12 122.2(3) . .
C14 C13 C8 118.6(3) . .
C12 C13 C8 119.3(3) . .
C103 C102 C101 120.5(3) . .
C103 C102 H102 119.8 . .
C101 C102 H102 119.8 . .
C82 C83 C84 119.7(3) . .
C82 C83 H83 120.1 . .
C84 C83 H83 120.1 . .
C73 C74 C75 120.3(3) . .
C73 C74 H74 119.9 . .
C75 C74 H74 119.9 . .
C9 C10 C11 120.1(3) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C7 C8 C9 122.2(3) . .
C7 C8 C13 119.2(3) . .
C9 C8 C13 118.6(3) . .
C100 C101 C102 120.1(3) . .
C100 C101 H101 120.0 . .
C102 C101 H101 120.0 . .
C40 C41 C42 120.1(3) . .
C40 C41 H41 119.9 . .
C42 C41 H41 119.9 . .
C83 C82 C81 120.7(4) . .
C83 C82 H82 119.6 . .
C81 C82 H82 119.6 . .
C74 C73 C72 119.8(3) . .
C74 C73 H73 120.1 . .
C72 C73 H73 120.1 . .
C75 C70 C71 118.9(3) . .
C75 C70 P1 116.8(2) . .
C71 C70 P1 124.4(2) . .
C102 C103 C104 119.9(3) . .
C102 C103 H103 120.1 . .
C104 C103 H103 120.1 . .
C105 C104 C103 120.0(3) . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C62 C63 C64 120.0(3) . .
C62 C63 H63 120.0 . .
C64 C63 H63 120.0 . .
Cl2 Cl1 C200 22.3(8) 2_675 .
Cl2 Cl1 C200 67.1(7) 2_675 2_675
C200 Cl1 C200 46.7(3) . 2_675
Cl1 Cl2 C200 136.5(14) 2_675 2_675
Cl1 Cl2 C200 83.9(8) 2_675 .
C200 Cl2 C200 55.8(7) 2_675 .
Cl1 Cl2 Cl2 102.2(9) 2_675 2_675
C200 Cl2 Cl2 36.6(6) 2_675 2_675
C200 Cl2 Cl2 19.17(18) . 2_675
Cl2 C200 Cl1 104.66(16) . .
Cl2 C200 H20A 110.8 . .
Cl1 C200 H20A 110.8 . .
Cl2 C200 H20B 110.8 . .
Cl1 C200 H20B 110.8 . .
H20A C200 H20B 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 2.062(3) .
Pt1 C6 2.086(3) .
Pt1 P2 2.2886(10) .
Pt1 P1 2.3020(11) .
P2 C80 1.814(3) .
P2 C100 1.815(3) .
P2 C39 1.820(3) .
P1 C60 1.815(3) .
P1 C38 1.818(3) .
P1 C70 1.823(3) .
P3 F4 1.591(2) .
P3 F2 1.592(3) .
P3 F5 1.593(2) .
P3 F1 1.595(2) .
P3 F3 1.596(2) .
P3 F6 1.600(2) .
C6 C7 1.375(4) .
C6 C5 1.415(4) .
C39 C38 1.397(4) .
C39 C40 1.398(4) .
C1 N1 1.348(4) .
C1 N2 1.363(4) .
N1 C2 1.382(4) .
N1 C4 1.457(4) .
C38 C43 1.398(4) .
C60 C65 1.386(4) .
C60 C61 1.398(4) .
N2 C3 1.381(4) .
N2 C5 1.415(4) .
C80 C85 1.389(5) .
C80 C81 1.401(5) .
C7 C8 1.420(4) .
C7 H7 0.9300 .
C100 C101 1.386(4) .
C100 C105 1.392(5) .
C5 C14 1.369(4) .
C64 C65 1.378(5) .
C64 C63 1.387(5) .
C64 H64 0.9300 .
C61 C62 1.394(4) .
C61 H61 0.9300 .
C43 C42 1.382(5) .
C43 H43 0.9300 .
C62 C63 1.375(5) .
C62 H62 0.9300 .
C65 H65 0.9300 .
C72 C71 1.385(4) .
C72 C73 1.387(5) .
C72 H72 0.9300 .
C40 C41 1.383(5) .
C40 H40 0.9300 .
C9 C10 1.371(5) .
C9 C8 1.421(4) .
C9 H9 0.9300 .
C71 C70 1.393(4) .
C71 H71 0.9300 .
C81 C82 1.377(5) .
C81 H81 0.9300 .
C42 C41 1.391(5) .
C42 H42 0.9300 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C11 C12 1.363(5) .
C11 C10 1.411(6) .
C11 H11 0.9300 .
C2 C3 1.340(5) .
C2 H2 0.9300 .
C85 C84 1.384(5) .
C85 H85 0.9300 .
C3 H3 0.9300 .
C12 C13 1.420(5) .
C12 H12 0.9300 .
C75 C74 1.388(5) .
C75 C70 1.390(4) .
C75 H75 0.9300 .
C84 C83 1.377(5) .
C84 H84 0.9300 .
C14 C13 1.409(5) .
C14 H14 0.9300 .
C105 C104 1.381(5) .
C105 H105 0.9300 .
C13 C8 1.421(5) .
C102 C103 1.371(5) .
C102 C101 1.391(5) .
C102 H102 0.9300 .
C83 C82 1.375(6) .
C83 H83 0.9300 .
C74 C73 1.375(5) .
C74 H74 0.9300 .
C10 H10 0.9300 .
C101 H101 0.9300 .
C41 H41 0.9300 .
C82 H82 0.9300 .
C73 H73 0.9300 .
C103 C104 1.382(5) .
C103 H103 0.9300 .
C104 H104 0.9300 .
C63 H63 0.9300 .
Cl1 Cl2 0.923(6) 2_675
Cl1 C200 1.753(2) .
Cl1 C200 1.890(13) 2_675
Cl2 Cl1 0.923(6) 2_675
Cl2 C200 0.964(11) 2_675
Cl2 C200 1.751(2) .
Cl2 Cl2 2.428(13) 2_675
C200 H20A 0.9700 .
C200 H20B 0.9700 .
