#------------------------------------------------------------------------------
#$Date: 2023-03-04 19:36:21 +0100 (Sat 04 de Mar de 2023) $
#$Revision: 281539 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/21/7062170.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_7062170
loop_
_publ_author_name
'Shahsavari, Hamid R.'
'Chamyani, Samira'
'Aghakhanpour, Reza Babadi'
'Dolatyari, Vahideh'
'Paziresh, Sareh'
_publ_section_title
;
 Phosphorescent Pt(ii) complexes bearing cyclometalated
 difluorophenylpyridinate and diphosphine building blocks
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1435
_journal_page_last               1443
_journal_paper_doi               10.1039/D2NJ05555D
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C47 H34 Cl2 F4 N2 P2 Pt2'
_chemical_formula_sum            'C47 H34 Cl2 F4 N2 P2 Pt2'
_chemical_formula_weight         1225.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-02-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-12-02 deposited with the CCDC.	2022-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                107.9010(10)
_cell_angle_beta                 90.2110(10)
_cell_angle_gamma                105.9130(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2890(3)
_cell_length_b                   13.9047(5)
_cell_length_c                   17.0859(6)
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    110
_cell_measurement_theta_max      24.07
_cell_measurement_theta_min      2.34
_cell_volume                     2010.17(12)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      110.0
_diffrn_detector                 'Bruker Hybrid Pixel area detector'
_diffrn_detector_area_resol_mean 10.5
_diffrn_detector_type            'Hybrid Pixel area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Hybrid Pixel area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            84820
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.708
_diffrn_reflns_theta_min         1.258
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.222
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1258 before and 0.0706 after correction. The Ratio of minimum to maximum transmission is 0.6846. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.025
_exptl_crystal_description       plate
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0433P)²+5.2047P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0835
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7856
_reflns_number_total             10362
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj05555d3.cif
_cod_data_source_block           1a
_cod_depositor_comments          'Adding full bibliography for 7062170.cif.'
_cod_database_code               7062170
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.532
_shelx_estimated_absorpt_t_min   0.160
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C10(H10), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C44(H44),
  C46(H46)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.39317(2) 0.38577(2) 0.14446(2) 0.01703(6) Uani 1 1 d . . . . .
Pt2 Pt 0.21839(2) 0.12976(2) 0.38220(2) 0.01557(6) Uani 1 1 d . . . . .
Cl1 Cl 0.50895(16) 0.25015(11) 0.08169(9) 0.0278(3) Uani 1 1 d . . . . .
Cl2 Cl 0.05062(14) -0.01042(10) 0.27428(8) 0.0227(3) Uani 1 1 d . . . . .
P1 P 0.21289(14) 0.26675(10) 0.18017(8) 0.0149(2) Uani 1 1 d . . . . .
P2 P 0.37359(14) 0.16581(10) 0.28779(8) 0.0151(3) Uani 1 1 d . . . . .
F1 F -0.0269(4) 0.5950(3) 0.2336(2) 0.0297(7) Uani 1 1 d . . . . .
F2 F 0.3878(4) 0.7503(3) 0.1147(2) 0.0366(8) Uani 1 1 d . . . . .
F007 F 0.3036(4) 0.2811(3) 0.70651(18) 0.0341(8) Uani 1 1 d . . . . .
F009 F 0.7456(3) 0.3258(3) 0.57509(19) 0.0283(7) Uani 1 1 d . . . . .
N1 N 0.5595(5) 0.4948(4) 0.1092(3) 0.0221(10) Uani 1 1 d . . . . .
N2 N 0.0649(5) 0.1188(3) 0.4694(3) 0.0188(9) Uani 1 1 d . . . . .
C1 C 0.6940(6) 0.4804(5) 0.0887(4) 0.0296(13) Uani 1 1 d . . . . .
H1 H 0.718104 0.419928 0.093010 0.036 Uiso 1 1 calc R . . . .
C2 C 0.7978(7) 0.5537(5) 0.0613(4) 0.0325(14) Uani 1 1 d . . . . .
H2 H 0.891669 0.542723 0.045936 0.039 Uiso 1 1 calc R . . . .
C3 C 0.7633(7) 0.6417(5) 0.0567(3) 0.0325(14) Uani 1 1 d . . . . .
H3 H 0.833335 0.692313 0.038408 0.039 Uiso 1 1 calc R . . . .
C4 C 0.6254(7) 0.6562(5) 0.0790(3) 0.0302(13) Uani 1 1 d . . . . .
H4 H 0.599061 0.715780 0.074417 0.036 Uiso 1 1 calc R . . . .
C5 C 0.5248(6) 0.5822(4) 0.1084(3) 0.0243(12) Uani 1 1 d . . . . .
C6 C 0.3779(6) 0.5884(4) 0.1380(3) 0.0202(11) Uani 1 1 d . . . . .
C7 C 0.2969(6) 0.5029(4) 0.1653(3) 0.0185(10) Uani 1 1 d . . . . .
C8 C 0.1592(6) 0.5073(4) 0.1957(3) 0.0227(11) Uani 1 1 d . . . . .
H8 H 0.100849 0.451029 0.212821 0.027 Uiso 1 1 calc R . . . .
C9 C 0.1066(6) 0.5924(4) 0.2011(3) 0.0253(12) Uani 1 1 d . . . . .
C10 C 0.1824(7) 0.6766(4) 0.1753(3) 0.0274(13) Uani 1 1 d . . . . .
H10 H 0.144315 0.734707 0.179712 0.033 Uiso 1 1 calc R . . . .
C11 C 0.3156(7) 0.6704(4) 0.1430(3) 0.0245(12) Uani 1 1 d . . . . .
C12 C 0.2681(6) 0.1539(4) 0.1916(3) 0.0173(10) Uani 1 1 d . . . . .
H12A H 0.329032 0.132100 0.145638 0.021 Uiso 1 1 calc R . . . .
H12B H 0.174955 0.094813 0.182971 0.021 Uiso 1 1 calc R . . . .
C13 C 0.0710(6) 0.2025(4) 0.0913(3) 0.0176(10) Uani 1 1 d . . . . .
C14 C -0.0640(6) 0.2266(4) 0.0886(3) 0.0232(11) Uani 1 1 d . . . . .
H14 H -0.092198 0.270472 0.136949 0.028 Uiso 1 1 calc R . . . .
C15 C -0.1586(6) 0.1864(5) 0.0151(3) 0.0261(12) Uani 1 1 d . . . . .
H15 H -0.251767 0.202142 0.013945 0.031 Uiso 1 1 calc R . . . .
C16 C -0.1174(6) 0.1238(4) -0.0563(3) 0.0243(12) Uani 1 1 d . . . . .
H16 H -0.180353 0.098635 -0.106655 0.029 Uiso 1 1 calc R . . . .
C17 C 0.0164(6) 0.0984(4) -0.0536(3) 0.0241(12) Uani 1 1 d . . . . .
H17 H 0.043558 0.053732 -0.101896 0.029 Uiso 1 1 calc R . . . .
C18 C 0.1106(6) 0.1375(4) 0.0190(3) 0.0215(11) Uani 1 1 d . . . . .
H18 H 0.202616 0.120311 0.020005 0.026 Uiso 1 1 calc R . . . .
C19 C 0.1113(6) 0.3007(4) 0.2701(3) 0.0180(10) Uani 1 1 d . . . . .
C20 C -0.0160(6) 0.2266(4) 0.2806(3) 0.0230(11) Uani 1 1 d . . . . .
H20 H -0.057618 0.162181 0.237116 0.028 Uiso 1 1 calc R . . . .
C21 C -0.0826(7) 0.2464(5) 0.3543(4) 0.0283(13) Uani 1 1 d . . . . .
H21 H -0.170117 0.195704 0.360650 0.034 Uiso 1 1 calc R . . . .
C22 C -0.0224(7) 0.3398(5) 0.4190(4) 0.0328(14) Uani 1 1 d . . . . .
H22 H -0.066616 0.351920 0.469844 0.039 Uiso 1 1 calc R . . . .
C23 C 0.1016(7) 0.4143(5) 0.4088(3) 0.0291(13) Uani 1 1 d . . . . .
H23 H 0.141848 0.478530 0.452738 0.035 Uiso 1 1 calc R . . . .
C24 C 0.1695(6) 0.3972(4) 0.3349(3) 0.0221(11) Uani 1 1 d . . . . .
H24 H 0.253972 0.449863 0.328171 0.026 Uiso 1 1 calc R . . . .
C25 C 0.5140(6) 0.2945(4) 0.3160(3) 0.0180(10) Uani 1 1 d . . . . .
C26 C 0.4888(6) 0.3804(4) 0.3775(3) 0.0180(10) Uani 1 1 d . . . . .
H26 H 0.401147 0.370172 0.405992 0.022 Uiso 1 1 calc R . . . .
C27 C 0.5905(6) 0.4801(4) 0.3970(3) 0.0236(12) Uani 1 1 d . . . . .
H27 H 0.571467 0.537772 0.438247 0.028 Uiso 1 1 calc R . . . .
C28 C 0.7194(6) 0.4961(4) 0.3569(3) 0.0251(12) Uani 1 1 d . . . . .
H28 H 0.789306 0.564362 0.370661 0.030 Uiso 1 1 calc R . . . .
C29 C 0.7459(6) 0.4121(4) 0.2966(4) 0.0264(12) Uani 1 1 d . . . . .
H29 H 0.834039 0.423110 0.268517 0.032 Uiso 1 1 calc R . . . .
C30 C 0.6454(6) 0.3117(4) 0.2764(3) 0.0241(12) Uani 1 1 d . . . . .
H30 H 0.666032 0.254381 0.235523 0.029 Uiso 1 1 calc R . . . .
C31 C 0.4800(6) 0.0703(4) 0.2545(3) 0.0203(11) Uani 1 1 d . . . . .
C32 C 0.5026(6) 0.0176(4) 0.3088(3) 0.0247(12) Uani 1 1 d . . . . .
H32 H 0.457337 0.028941 0.359344 0.030 Uiso 1 1 calc R . . . .
C33 C 0.5907(7) -0.0516(4) 0.2898(4) 0.0293(13) Uani 1 1 d . . . . .
H33 H 0.604453 -0.087679 0.326988 0.035 Uiso 1 1 calc R . . . .
C34 C 0.6581(6) -0.0676(5) 0.2168(4) 0.0325(14) Uani 1 1 d . . . . .
H34 H 0.721063 -0.112861 0.204681 0.039 Uiso 1 1 calc R . . . .
C35 C 0.6341(6) -0.0182(5) 0.1618(4) 0.0292(13) Uani 1 1 d . . . . .
H35 H 0.678482 -0.031065 0.111032 0.035 Uiso 1 1 calc R . . . .
C36 C 0.5460(6) 0.0504(4) 0.1795(3) 0.0215(11) Uani 1 1 d . . . . .
H36 H 0.530180 0.083891 0.140770 0.026 Uiso 1 1 calc R . . . .
C37 C -0.0837(6) 0.0712(4) 0.4504(3) 0.0235(11) Uani 1 1 d . . . . .
H37 H -0.119917 0.030228 0.394733 0.028 Uiso 1 1 calc R . . . .
C38 C -0.1860(6) 0.0798(4) 0.5095(4) 0.0258(12) Uani 1 1 d . . . . .
H38 H -0.290021 0.044363 0.494376 0.031 Uiso 1 1 calc R . . . .
C39 C -0.1346(7) 0.1406(5) 0.5904(4) 0.0288(13) Uani 1 1 d . . . . .
H39 H -0.202667 0.148301 0.631685 0.035 Uiso 1 1 calc R . . . .
C40 C 0.0198(6) 0.1906(4) 0.6104(3) 0.0221(11) Uani 1 1 d . . . . .
H40 H 0.057567 0.232618 0.665644 0.027 Uiso 1 1 calc R . . . .
C41 C 0.1181(6) 0.1785(4) 0.5489(3) 0.0193(10) Uani 1 1 d . . . . .
C42 C 0.2825(6) 0.2241(4) 0.5596(3) 0.0200(11) Uani 1 1 d . . . . .
C43 C 0.3555(6) 0.2135(4) 0.4857(3) 0.0192(11) Uani 1 1 d . . . . .
C44 C 0.5133(6) 0.2471(4) 0.4929(3) 0.0183(10) Uani 1 1 d . . . . .
H44 H 0.565441 0.238405 0.444706 0.022 Uiso 1 1 calc R . . . .
C45 C 0.5929(6) 0.2927(4) 0.5702(3) 0.0211(11) Uani 1 1 d . . . . .
C46 C 0.5249(6) 0.3048(4) 0.6429(3) 0.0244(12) Uani 1 1 d . . . . .
H46 H 0.581423 0.334784 0.695436 0.029 Uiso 1 1 calc R . . . .
C47 C 0.3699(6) 0.2708(4) 0.6345(3) 0.0220(11) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
P1 Pt1 Cl1 89.08(5) . . ?
N1 Pt1 Cl1 90.46(13) . . ?
N1 Pt1 P1 179.03(12) . . ?
C7 Pt1 Cl1 163.98(14) . . ?
C7 Pt1 P1 99.70(15) . . ?
C7 Pt1 N1 80.6(2) . . ?
P2 Pt2 Cl2 89.43(4) . . ?
N2 Pt2 Cl2 92.87(12) . . ?
N2 Pt2 P2 170.38(12) . . ?
C43 Pt2 Cl2 163.59(15) . . ?
C43 Pt2 P2 99.80(16) . . ?
C43 Pt2 N2 80.29(19) . . ?
C12 P1 Pt1 115.28(17) . . ?
C13 P1 Pt1 106.15(17) . . ?
C13 P1 C12 101.8(2) . . ?
C19 P1 Pt1 123.31(18) . . ?
C19 P1 C12 101.9(2) . . ?
C19 P1 C13 106.2(2) . . ?
C12 P2 Pt2 111.59(17) . . ?
C25 P2 Pt2 118.13(17) . . ?
C25 P2 C12 105.3(2) . . ?
C31 P2 Pt2 111.55(19) . . ?
C31 P2 C12 104.1(2) . . ?
C31 P2 C25 105.0(2) . . ?
C1 N1 Pt1 123.1(4) . . ?
C5 N1 Pt1 115.5(4) . . ?
C5 N1 C1 121.4(5) . . ?
C37 N2 Pt2 124.0(4) . . ?
C37 N2 C41 119.4(5) . . ?
C41 N2 Pt2 115.7(3) . . ?
N1 C1 H1 119.8 . . ?
N1 C1 C2 120.4(6) . . ?
C2 C1 H1 119.8 . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.5(6) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.5(6) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(6) . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 119.4(5) . . ?
N1 C5 C6 114.2(5) . . ?
C4 C5 C6 126.4(5) . . ?
C7 C6 C5 115.6(5) . . ?
C11 C6 C5 125.5(5) . . ?
C11 C6 C7 118.9(5) . . ?
C6 C7 Pt1 113.7(4) . . ?
C8 C7 Pt1 128.9(4) . . ?
C8 C7 C6 117.2(5) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(5) . . ?
C9 C8 H8 119.6 . . ?
F1 C9 C8 118.8(5) . . ?
F1 C9 C10 117.7(5) . . ?
C8 C9 C10 123.5(6) . . ?
C9 C10 H10 122.2 . . ?
C11 C10 C9 115.6(5) . . ?
C11 C10 H10 122.2 . . ?
F2 C11 C6 119.9(5) . . ?
F2 C11 C10 116.1(5) . . ?
C10 C11 C6 124.0(5) . . ?
P1 C12 P2 120.7(3) . . ?
P1 C12 H12A 107.1 . . ?
P1 C12 H12B 107.1 . . ?
P2 C12 H12A 107.1 . . ?
P2 C12 H12B 107.1 . . ?
H12A C12 H12B 106.8 . . ?
C14 C13 P1 122.7(4) . . ?
C14 C13 C18 118.9(4) . . ?
C18 C13 P1 117.7(4) . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(5) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.4(5) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(5) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.4(5) . . ?
C17 C18 H18 119.8 . . ?
C20 C19 P1 120.0(4) . . ?
C20 C19 C24 119.0(5) . . ?
C24 C19 P1 120.7(4) . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.4(5) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(6) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.5(5) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 121.0(5) . . ?
C24 C23 H23 119.5 . . ?
C19 C24 H24 120.3 . . ?
C23 C24 C19 119.4(5) . . ?
C23 C24 H24 120.3 . . ?
C26 C25 P2 119.7(4) . . ?
C26 C25 C30 118.3(5) . . ?
C30 C25 P2 121.9(4) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(5) . . ?
C27 C26 H26 119.7 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(5) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.5(5) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.8(5) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 H30 119.9 . . ?
C29 C30 C25 120.3(5) . . ?
C29 C30 H30 119.9 . . ?
C32 C31 P2 117.5(4) . . ?
C32 C31 C36 118.3(5) . . ?
C36 C31 P2 124.1(4) . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.8(5) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 119.9(6) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(5) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 120.9(6) . . ?
C36 C35 H35 119.6 . . ?
C31 C36 H36 119.9 . . ?
C35 C36 C31 120.1(5) . . ?
C35 C36 H36 119.9 . . ?
N2 C37 H37 118.8 . . ?
N2 C37 C38 122.3(5) . . ?
C38 C37 H37 118.8 . . ?
C37 C38 H38 120.4 . . ?
C39 C38 C37 119.2(5) . . ?
C39 C38 H38 120.4 . . ?
C38 C39 H39 120.7 . . ?
C38 C39 C40 118.7(5) . . ?
C40 C39 H39 120.7 . . ?
C39 C40 H40 120.1 . . ?
C41 C40 C39 119.9(5) . . ?
C41 C40 H40 120.1 . . ?
N2 C41 C40 120.5(5) . . ?
N2 C41 C42 112.8(4) . . ?
C40 C41 C42 126.7(5) . . ?
C43 C42 C41 115.9(4) . . ?
C47 C42 C41 125.4(5) . . ?
C47 C42 C43 118.5(5) . . ?
C42 C43 Pt2 114.3(4) . . ?
C44 C43 Pt2 127.0(4) . . ?
C44 C43 C42 117.9(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.1(5) . . ?
C45 C44 H44 120.0 . . ?
F009 C45 C44 118.7(5) . . ?
F009 C45 C46 118.2(5) . . ?
C44 C45 C46 123.1(5) . . ?
C45 C46 H46 122.0 . . ?
C45 C46 C47 115.9(5) . . ?
C47 C46 H46 122.0 . . ?
F007 C47 C42 120.0(5) . . ?
F007 C47 C46 115.6(4) . . ?
C42 C47 C46 124.3(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3959(13) . ?
Pt1 P1 2.2413(13) . ?
Pt1 N1 2.081(4) . ?
Pt1 C7 2.006(5) . ?
Pt2 Cl2 2.3941(12) . ?
Pt2 P2 2.2471(13) . ?
Pt2 N2 2.077(4) . ?
Pt2 C43 2.003(5) . ?
P1 C12 1.843(5) . ?
P1 C13 1.830(5) . ?
P1 C19 1.812(5) . ?
P2 C12 1.849(5) . ?
P2 C25 1.823(5) . ?
P2 C31 1.823(5) . ?
F1 C9 1.366(6) . ?
F2 C11 1.357(6) . ?
F007 C47 1.363(6) . ?
F009 C45 1.359(6) . ?
N1 C1 1.349(7) . ?
N1 C5 1.344(7) . ?
N2 C37 1.346(7) . ?
N2 C41 1.363(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.396(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.371(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.406(8) . ?
C5 C6 1.473(8) . ?
C6 C7 1.432(7) . ?
C6 C11 1.394(8) . ?
C7 C8 1.392(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.376(7) . ?
C9 C10 1.389(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.370(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.387(7) . ?
C13 C18 1.406(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.399(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(8) . ?
C19 C24 1.415(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.391(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.375(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.398(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.403(7) . ?
C25 C30 1.396(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.381(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.381(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.388(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.394(8) . ?
C31 C36 1.406(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.381(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.373(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.386(7) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C37 C38 1.389(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.382(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.400(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.395(7) . ?
C41 C42 1.471(7) . ?
C42 C43 1.422(7) . ?
C42 C47 1.382(7) . ?
C43 C44 1.403(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.383(7) . ?
C45 C46 1.381(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.379(8) . ?
