#------------------------------------------------------------------------------
#$Date: 2021-02-04 23:28:58 +0100 (Thu 04 de Feb de 2021) $
#$Revision: 261528 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/76/7127620.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_7127620
loop_
_publ_author_name
'Hagui, Wided'
'Cordier, Marie'
'Boixel, Julien'
'Soulé, Jean-François'
_publ_section_title
;
 Access to functionalized luminescent Pt(ii) complexes by
 photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1038
_journal_page_last               1041
_journal_paper_doi               10.1039/d0cc07307e
_journal_volume                  57
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H36 Cl4 N2 Pt'
_chemical_formula_sum            'C30 H36 Cl4 N2 Pt'
_chemical_formula_weight         761.50
_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
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-02-12 deposited with the CCDC.	2020-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                109.811(5)
_cell_angle_beta                 103.891(6)
_cell_angle_gamma                102.273(5)
_cell_formula_units_Z            2
_cell_length_a                   9.6777(15)
_cell_length_b                   11.9462(17)
_cell_length_c                   14.685(2)
_cell_measurement_reflns_used    9017
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.5067
_cell_measurement_theta_min      2.2940
_cell_measurement_wavelength     0.71073
_cell_volume                     1468.1(4)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2019)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.1021485
_diffrn_orient_matrix_UB_12      0.0350464
_diffrn_orient_matrix_UB_13      -0.0020244
_diffrn_orient_matrix_UB_21      0.0459845
_diffrn_orient_matrix_UB_22      0.0139140
_diffrn_orient_matrix_UB_23      0.0732429
_diffrn_orient_matrix_UB_31      0.0095200
_diffrn_orient_matrix_UB_32      -0.0860770
_diffrn_orient_matrix_UB_33      -0.0235218
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13091
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.507
_diffrn_reflns_theta_min         2.918
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    5.166
_exptl_absorpt_correction_T_max  0.628
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_description       prism
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.199
_refine_diff_density_min         -1.435
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0322P)²+2.4272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0776
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6071
_reflns_number_total             6631
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc07307e2.cif
_cod_data_source_block           WH184
_cod_depositor_comments
'Adding full bibliography for 7127620--7127626.cif.'
_cod_database_code               7127620
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 0.28288(2) 0.56606(2) 0.56367(2) 0.01295(6) Uani 1 1 d . . . . .
Cl1 Cl 0.48978(12) 0.66231(9) 0.71411(7) 0.0248(2) Uani 1 1 d . . . . .
N1 N 0.2690(4) 0.3680(3) 0.4947(2) 0.0134(6) Uani 1 1 d . . . . .
N2 N 0.1235(4) 0.5042(3) 0.4297(2) 0.0145(6) Uani 1 1 d . . . . .
C1 C 0.3390(4) 0.2987(4) 0.5323(3) 0.0138(7) Uani 1 1 d . . . . .
C2 C 0.3256(5) 0.1768(4) 0.4686(3) 0.0192(8) Uani 1 1 d . . . . .
H2 H 0.379175 0.131443 0.496796 0.023 Uiso 1 1 calc R U . . .
C3 C 0.2368(5) 0.1200(4) 0.3656(3) 0.0167(8) Uani 1 1 d . . . . .
C4 C 0.1576(5) 0.1907(4) 0.3302(3) 0.0167(8) Uani 1 1 d . . . . .
H4 H 0.091024 0.154561 0.261092 0.020 Uiso 1 1 calc R U . . .
C5 C 0.1742(4) 0.3117(4) 0.3935(3) 0.0136(7) Uani 1 1 d . . . . .
C6 C 0.4317(5) 0.3554(4) 0.6442(3) 0.0158(8) Uani 1 1 d . . . . .
H6 H 0.409497 0.433956 0.678849 0.019 Uiso 1 1 calc R U . . .
C7 C 0.4070(5) 0.2718(4) 0.7020(3) 0.0199(8) Uani 1 1 d . . . . .
H7A H 0.404713 0.185612 0.661950 0.024 Uiso 1 1 calc R U . . .
H7B H 0.311804 0.267453 0.716713 0.024 Uiso 1 1 calc R U . . .
C8 C 0.5440(5) 0.3378(5) 0.8025(3) 0.0255(10) Uani 1 1 d . . . . .
H8A H 0.519059 0.395627 0.857882 0.031 Uiso 1 1 calc R U . . .
H8B H 0.575308 0.275182 0.825193 0.031 Uiso 1 1 calc R U . . .
C9 C 0.6702(5) 0.4115(5) 0.7778(3) 0.0284(10) Uani 1 1 d . . . . .
H9A H 0.757295 0.380330 0.787493 0.034 Uiso 1 1 calc R U . . .
H9B H 0.704097 0.502104 0.823388 0.034 Uiso 1 1 calc R U . . .
C10 C 0.6025(5) 0.3897(4) 0.6646(3) 0.0230(9) Uani 1 1 d . . . . .
H10A H 0.626760 0.320235 0.618460 0.028 Uiso 1 1 calc R U . . .
H10B H 0.640606 0.466673 0.654370 0.028 Uiso 1 1 calc R U . . .
C11 C 0.2245(5) -0.0122(4) 0.2942(3) 0.0196(8) Uani 1 1 d . . . . .
C12 C 0.0615(6) -0.0995(4) 0.2546(4) 0.0292(10) Uani 1 1 d . . . . .
H12A H -0.006263 -0.062766 0.222406 0.044 Uiso 1 1 calc R U . . .
H12B H 0.034980 -0.109677 0.312337 0.044 Uiso 1 1 calc R U . . .
H12C H 0.051856 -0.181726 0.203842 0.044 Uiso 1 1 calc R U . . .
C13 C 0.3285(6) -0.0671(5) 0.3490(4) 0.0360(13) Uani 1 1 d . . . . .
H13A H 0.319722 -0.150580 0.300624 0.054 Uiso 1 1 calc R U . . .
H13B H 0.299734 -0.074219 0.406923 0.054 Uiso 1 1 calc R U . . .
H13C H 0.432643 -0.011828 0.374587 0.054 Uiso 1 1 calc R U . . .
C14 C 0.2677(6) -0.0055(5) 0.2015(3) 0.0301(10) Uani 1 1 d . . . . .
H14A H 0.371292 0.050331 0.225747 0.045 Uiso 1 1 calc R U . . .
H14B H 0.199650 0.027246 0.164745 0.045 Uiso 1 1 calc R U . . .
H14C H 0.259619 -0.089767 0.155106 0.045 Uiso 1 1 calc R U . . .
C15 C 0.0921(4) 0.3873(4) 0.3580(3) 0.0136(7) Uani 1 1 d . . . . .
C16 C -0.0108(4) 0.3501(4) 0.2604(3) 0.0148(7) Uani 1 1 d . . . . .
H16 H -0.035120 0.267113 0.210338 0.018 Uiso 1 1 calc R U . . .
C17 C -0.0784(4) 0.4317(4) 0.2348(3) 0.0142(7) Uani 1 1 d . . . . .
C18 C -0.0394(5) 0.5527(4) 0.3116(3) 0.0172(8) Uani 1 1 d . . . . .
H18 H -0.082835 0.611507 0.296874 0.021 Uiso 1 1 calc R U . . .
C19 C 0.0617(4) 0.5876(4) 0.4088(3) 0.0140(7) Uani 1 1 d . . . . .
C20 C -0.1860(5) 0.3946(4) 0.1262(3) 0.0188(8) Uani 1 1 d . . . . .
C21 C -0.2725(6) 0.2549(4) 0.0750(3) 0.0304(11) Uani 1 1 d . . . . .
H21A H -0.318193 0.231040 0.121292 0.046 Uiso 1 1 calc R U . . .
H21B H -0.203687 0.207490 0.059873 0.046 Uiso 1 1 calc R U . . .
H21C H -0.351539 0.236019 0.010833 0.046 Uiso 1 1 calc R U . . .
C22 C -0.0915(6) 0.4288(6) 0.0627(4) 0.0357(12) Uani 1 1 d . . . . .
H22A H -0.009812 0.392307 0.067748 0.054 Uiso 1 1 calc R U . . .
H22B H -0.049069 0.520363 0.089403 0.054 Uiso 1 1 calc R U . . .
H22C H -0.155633 0.395299 -0.009549 0.054 Uiso 1 1 calc R U . . .
C23 C -0.2989(5) 0.4675(5) 0.1281(3) 0.0272(10) Uani 1 1 d . . . . .
H23A H -0.370154 0.437645 0.058387 0.041 Uiso 1 1 calc R U . . .
H23B H -0.244908 0.557335 0.153500 0.041 Uiso 1 1 calc R U . . .
H23C H -0.353580 0.454073 0.173665 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1201(4) 0.7118(4) 0.4966(3) 0.0154(8) Uani 1 1 d . . . . .
C25 C 0.2334(4) 0.7241(4) 0.5836(3) 0.0154(7) Uani 1 1 d . . . . .
C26 C 0.2906(5) 0.8396(4) 0.6691(3) 0.0198(8) Uani 1 1 d . . . . .
H26 H 0.366006 0.850420 0.729262 0.024 Uiso 1 1 calc R U . . .
C27 C 0.2379(6) 0.9390(4) 0.6670(3) 0.0258(10) Uani 1 1 d . . . . .
H27 H 0.277658 1.016682 0.725959 0.031 Uiso 1 1 calc R U . . .
C28 C 0.1285(5) 0.9263(4) 0.5802(3) 0.0248(9) Uani 1 1 d . . . . .
H28 H 0.095502 0.995373 0.579075 0.030 Uiso 1 1 calc R U . . .
C29 C 0.0674(5) 0.8116(4) 0.4948(3) 0.0193(8) Uani 1 1 d . . . . .
H29 H -0.009551 0.801192 0.435584 0.023 Uiso 1 1 calc R U . . .
Cl2 Cl 0.8952(2) 0.8299(2) -0.04304(14) 0.0624(5) Uani 1 1 d . . . . .
Cl3 Cl 0.69993(19) 0.70343(15) 0.03588(13) 0.0568(5) Uani 1 1 d . . . . .
Cl4 Cl 0.6945(2) 0.94432(16) 0.03854(14) 0.0606(4) Uani 1 1 d . . . . .
C30 C 0.7173(6) 0.8032(5) -0.0283(3) 0.0297(10) Uani 1 1 d . . . . .
H30 H 0.637978 0.760843 -0.098064 0.036 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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
N2 Pt1 C25 82.26(15) . . ?
N2 Pt1 N1 78.20(13) . . ?
C25 Pt1 N1 160.27(15) . . ?
N2 Pt1 Cl1 171.01(10) . . ?
C25 Pt1 Cl1 93.02(12) . . ?
N1 Pt1 Cl1 106.71(9) . . ?
C1 N1 C5 118.1(3) . . ?
C1 N1 Pt1 131.6(3) . . ?
C5 N1 Pt1 110.2(2) . . ?
C19 N2 C15 122.0(3) . . ?
C19 N2 Pt1 117.3(3) . . ?
C15 N2 Pt1 120.3(3) . . ?
N1 C1 C2 120.9(3) . . ?
N1 C1 C6 118.4(3) . . ?
C2 C1 C6 120.6(3) . . ?
C3 C2 C1 122.1(4) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 115.8(4) . . ?
C2 C3 C11 122.7(4) . . ?
C4 C3 C11 121.5(3) . . ?
C5 C4 C3 121.3(3) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 N1 121.5(3) . . ?
C4 C5 C15 122.2(3) . . ?
N1 C5 C15 116.3(3) . . ?
C1 C6 C7 115.9(3) . . ?
C1 C6 C10 113.5(3) . . ?
C7 C6 C10 102.6(3) . . ?
C1 C6 H6 108.2 . . ?
C7 C6 H6 108.2 . . ?
C10 C6 H6 108.2 . . ?
C6 C7 C8 103.6(3) . . ?
C6 C7 H7A 111.0 . . ?
C8 C7 H7A 111.0 . . ?
C6 C7 H7B 111.0 . . ?
C8 C7 H7B 111.0 . . ?
H7A C7 H7B 109.0 . . ?
C9 C8 C7 106.3(3) . . ?
C9 C8 H8A 110.5 . . ?
C7 C8 H8A 110.5 . . ?
C9 C8 H8B 110.5 . . ?
C7 C8 H8B 110.5 . . ?
H8A C8 H8B 108.7 . . ?
C8 C9 C10 106.1(4) . . ?
C8 C9 H9A 110.5 . . ?
C10 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
C10 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C9 C10 C6 104.0(4) . . ?
C9 C10 H10A 111.0 . . ?
C6 C10 H10A 111.0 . . ?
C9 C10 H10B 111.0 . . ?
C6 C10 H10B 111.0 . . ?
H10A C10 H10B 109.0 . . ?
C13 C11 C3 111.7(3) . . ?
C13 C11 C12 109.0(4) . . ?
C3 C11 C12 109.7(4) . . ?
C13 C11 C14 108.9(4) . . ?
C3 C11 C14 108.8(4) . . ?
C12 C11 C14 108.6(4) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C16 119.1(4) . . ?
N2 C15 C5 114.3(3) . . ?
C16 C15 C5 126.6(3) . . ?
C17 C16 C15 121.4(4) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C18 117.0(3) . . ?
C16 C17 C20 122.1(3) . . ?
C18 C17 C20 120.8(4) . . ?
C19 C18 C17 120.9(4) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
N2 C19 C18 119.6(3) . . ?
N2 C19 C24 112.4(3) . . ?
C18 C19 C24 128.0(4) . . ?
C21 C20 C17 111.1(3) . . ?
C21 C20 C23 108.7(4) . . ?
C17 C20 C23 111.5(3) . . ?
C21 C20 C22 109.8(4) . . ?
C17 C20 C22 107.9(3) . . ?
C23 C20 C22 107.8(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 121.6(4) . . ?
C29 C24 C19 122.7(4) . . ?
C25 C24 C19 115.7(4) . . ?
C26 C25 C24 117.7(4) . . ?
C26 C25 Pt1 130.1(3) . . ?
C24 C25 Pt1 112.2(3) . . ?
C27 C26 C25 120.6(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 121.0(4) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 119.5(4) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C24 119.6(4) . . ?
C28 C29 H29 120.2 . . ?
C24 C29 H29 120.2 . . ?
Cl4 C30 Cl3 111.1(3) . . ?
Cl4 C30 Cl2 110.2(3) . . ?
Cl3 C30 Cl2 109.1(3) . . ?
Cl4 C30 H30 108.8 . . ?
Cl3 C30 H30 108.8 . . ?
Cl2 C30 H30 108.8 . . ?
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 N2 1.966(3) . ?
Pt1 C25 1.989(4) . ?
Pt1 N1 2.194(3) . ?
Pt1 Cl1 2.3211(10) . ?
N1 C1 1.350(5) . ?
N1 C5 1.380(5) . ?
N2 C19 1.349(5) . ?
N2 C15 1.350(5) . ?
C1 C2 1.396(6) . ?
C1 C6 1.498(5) . ?
C2 C3 1.386(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.397(6) . ?
C3 C11 1.531(5) . ?
C4 C5 1.379(5) . ?
C4 H4 0.9500 . ?
C5 C15 1.463(5) . ?
C6 C7 1.532(6) . ?
C6 C10 1.544(6) . ?
C6 H6 1.0000 . ?
C7 C8 1.544(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.539(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.541(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C13 1.530(6) . ?
C11 C12 1.537(6) . ?
C11 C14 1.538(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.393(5) . ?
C16 C17 1.387(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.400(5) . ?
C17 C20 1.533(5) . ?
C18 C19 1.386(5) . ?
C18 H18 0.9500 . ?
C19 C24 1.476(5) . ?
C20 C21 1.518(6) . ?
C20 C23 1.534(6) . ?
C20 C22 1.544(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.399(6) . ?
C24 C25 1.409(5) . ?
C25 C26 1.398(5) . ?
C26 C27 1.396(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(6) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
Cl2 C30 1.762(6) . ?
Cl3 C30 1.758(5) . ?
Cl4 C30 1.731(5) . ?
C30 H30 1.0000 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 5.1(6) . . . . ?
Pt1 N1 C1 C2 -171.8(3) . . . . ?
C5 N1 C1 C6 -174.9(3) . . . . ?
Pt1 N1 C1 C6 8.2(6) . . . . ?
N1 C1 C2 C3 -2.2(7) . . . . ?
C6 C1 C2 C3 177.7(4) . . . . ?
C1 C2 C3 C4 -2.0(6) . . . . ?
C1 C2 C3 C11 178.3(4) . . . . ?
C2 C3 C4 C5 3.2(6) . . . . ?
C11 C3 C4 C5 -177.0(4) . . . . ?
C3 C4 C5 N1 -0.4(6) . . . . ?
C3 C4 C5 C15 -179.9(4) . . . . ?
C1 N1 C5 C4 -3.8(6) . . . . ?
Pt1 N1 C5 C4 173.7(3) . . . . ?
C1 N1 C5 C15 175.7(3) . . . . ?
Pt1 N1 C5 C15 -6.8(4) . . . . ?
N1 C1 C6 C7 133.5(4) . . . . ?
C2 C1 C6 C7 -46.4(5) . . . . ?
N1 C1 C6 C10 -108.1(4) . . . . ?
C2 C1 C6 C10 71.9(5) . . . . ?
C1 C6 C7 C8 164.7(3) . . . . ?
C10 C6 C7 C8 40.5(4) . . . . ?
C6 C7 C8 C9 -26.1(4) . . . . ?
C7 C8 C9 C10 1.6(5) . . . . ?
C8 C9 C10 C6 23.4(5) . . . . ?
C1 C6 C10 C9 -165.4(4) . . . . ?
C7 C6 C10 C9 -39.6(4) . . . . ?
C2 C3 C11 C13 -3.6(6) . . . . ?
C4 C3 C11 C13 176.6(4) . . . . ?
C2 C3 C11 C12 117.4(5) . . . . ?
C4 C3 C11 C12 -62.3(5) . . . . ?
C2 C3 C11 C14 -123.9(5) . . . . ?
C4 C3 C11 C14 56.3(5) . . . . ?
C19 N2 C15 C16 -2.0(6) . . . . ?
Pt1 N2 C15 C16 -173.8(3) . . . . ?
C19 N2 C15 C5 177.7(3) . . . . ?
Pt1 N2 C15 C5 5.9(5) . . . . ?
C4 C5 C15 N2 -179.1(4) . . . . ?
N1 C5 C15 N2 1.4(5) . . . . ?
C4 C5 C15 C16 0.5(6) . . . . ?
N1 C5 C15 C16 -178.9(4) . . . . ?
N2 C15 C16 C17 1.6(6) . . . . ?
C5 C15 C16 C17 -178.0(4) . . . . ?
C15 C16 C17 C18 -0.4(6) . . . . ?
C15 C16 C17 C20 176.9(4) . . . . ?
C16 C17 C18 C19 -0.5(6) . . . . ?
C20 C17 C18 C19 -177.9(4) . . . . ?
C15 N2 C19 C18 1.2(6) . . . . ?
Pt1 N2 C19 C18 173.1(3) . . . . ?
C15 N2 C19 C24 -176.2(3) . . . . ?
Pt1 N2 C19 C24 -4.2(4) . . . . ?
C17 C18 C19 N2 0.1(6) . . . . ?
C17 C18 C19 C24 177.0(4) . . . . ?
C16 C17 C20 C21 31.6(6) . . . . ?
C18 C17 C20 C21 -151.1(4) . . . . ?
C16 C17 C20 C23 153.0(4) . . . . ?
C18 C17 C20 C23 -29.7(5) . . . . ?
C16 C17 C20 C22 -88.8(5) . . . . ?
C18 C17 C20 C22 88.5(5) . . . . ?
N2 C19 C24 C29 -177.0(4) . . . . ?
C18 C19 C24 C29 6.0(7) . . . . ?
N2 C19 C24 C25 3.1(5) . . . . ?
C18 C19 C24 C25 -174.0(4) . . . . ?
C29 C24 C25 C26 0.9(6) . . . . ?
C19 C24 C25 C26 -179.1(4) . . . . ?
C29 C24 C25 Pt1 179.4(3) . . . . ?
C19 C24 C25 Pt1 -0.6(5) . . . . ?
C24 C25 C26 C27 -0.9(6) . . . . ?
Pt1 C25 C26 C27 -179.2(3) . . . . ?
C25 C26 C27 C28 -0.3(7) . . . . ?
C26 C27 C28 C29 1.7(7) . . . . ?
C27 C28 C29 C24 -1.7(7) . . . . ?
C25 C24 C29 C28 0.4(6) . . . . ?
C19 C24 C29 C28 -179.5(4) . . . . ?
