#------------------------------------------------------------------------------
#$Date: 2019-09-24 12:26:39 +0300 (Tue, 24 Sep 2019) $
#$Revision: 218785 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/41/7234120.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_7234120
loop_
_publ_author_name
'Xiao-Peng Zhang'
'Jin-Feng Mei'
'Jian-Cheng Lai'
'Cheng-Hui Li'
'Xiao-Zeng You'
_publ_section_title
;
 Mechano-induced luminescent and chiroptical switching in chiral
 cyclometalated platinum(ii) complexes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2350
_journal_page_last               2357
_journal_paper_doi               10.1039/C4TC02800G
_journal_volume                  3
_journal_year                    2015
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C68 H82 Cl2 N6 O7 Pt2'
_chemical_formula_sum            'C68 H82 Cl2 N6 O7 Pt2'
_chemical_formula_weight         1556.48
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   31.521(3)
_cell_length_b                   31.521(3)
_cell_length_c                   7.118(2)
_cell_measurement_reflns_used    6628
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      19.835
_cell_measurement_theta_min      2.5845
_cell_volume                     6124.8(19)
_computing_cell_refinement       SMART
_computing_data_collection       SMART,(Bruker,2000)
_computing_data_reduction        SAINT(Bruker,2000)
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL(Bruker,2000) '
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega 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  0.0785
_diffrn_reflns_av_sigmaI/netI    0.0812
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            56494
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.75
_exptl_absorpt_coefficient_mu    3.533
_exptl_absorpt_correction_T_max  0.5103
_exptl_absorpt_correction_T_min  0.4378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS,Bruker,2000
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2334
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         6.945
_refine_diff_density_min         -6.043
_refine_diff_density_rms         0.229
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         9397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1117P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1725
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                7499
_reflns_number_total             9397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-2350.cif
_cod_data_source_block           20130830c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Trigonal' was changed to
'trigonal' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P3(1)21   '
_cod_database_code               7234120
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'-x, -x+y, -z+1/3'
'x-y, -y, -z+2/3'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0116(4) 0.5424(4) 0.4070(16) 0.037(3) Uani 1 1 d . . .
C2 C 1.0579(4) 0.4847(4) 0.3583(17) 0.038(3) Uani 1 1 d . . .
C3 C 1.1001(4) 0.5251(4) 0.3047(16) 0.039(3) Uani 1 1 d . . .
H3 H 1.1007 0.5547 0.2901 0.047 Uiso 1 1 calc R . .
C4 C 1.1428(5) 0.5230(5) 0.2709(18) 0.044(3) Uani 1 1 d . . .
H4 H 1.1725 0.5512 0.2459 0.053 Uiso 1 1 calc R . .
C5 C 1.1392(4) 0.4785(4) 0.2759(17) 0.039(3) Uani 1 1 d . . .
H5 H 1.1667 0.4766 0.2418 0.047 Uiso 1 1 calc R . .
C6 C 1.0978(5) 0.4358(4) 0.3279(16) 0.041(3) Uani 1 1 d . . .
H6 H 1.0979 0.4066 0.3426 0.049 Uiso 1 1 calc R . .
C7 C 1.0545(5) 0.4390(4) 0.3581(19) 0.045(3) Uani 1 1 d . . .
C8 C 1.0063(4) 0.3950(4) 0.4089(16) 0.036(3) Uani 1 1 d . . .
C9 C 0.9946(4) 0.3478(4) 0.4202(18) 0.046(3) Uani 1 1 d . . .
H9 H 1.0185 0.3398 0.3910 0.056 Uiso 1 1 calc R . .
C10 C 0.9491(4) 0.3109(4) 0.4727(16) 0.036(3) Uani 1 1 d . . .
H10 H 0.9423 0.2787 0.4854 0.044 Uiso 1 1 calc R . .
C11 C 0.9131(5) 0.3242(4) 0.5067(14) 0.035(2) Uani 1 1 d . . .
H11 H 0.8810 0.3006 0.5350 0.041 Uiso 1 1 calc R . .
C12 C 0.9276(4) 0.3757(4) 0.4961(15) 0.029(2) Uani 1 1 d . . .
C13 C 0.8942(4) 0.3940(4) 0.5306(17) 0.036(3) Uani 1 1 d . . .
C14 C 0.8458(3) 0.3668(3) 0.5672(13) 0.0215(19) Uani 1 1 d . . .
H14 H 0.8310 0.3329 0.5737 0.026 Uiso 1 1 calc R . .
C15 C 0.8175(3) 0.3898(4) 0.5957(14) 0.0270(19) Uani 1 1 d . . .
C16 C 0.8391(4) 0.4368(4) 0.5726(15) 0.031(2) Uani 1 1 d . . .
C17 C 0.8870(4) 0.4645(4) 0.5266(19) 0.043(3) Uani 1 1 d . . .
H17 H 0.9008 0.4981 0.5098 0.051 Uiso 1 1 calc R . .
C18 C 0.7615(4) 0.3572(4) 0.6469(17) 0.044(3) Uani 1 1 d . . .
H18A H 0.7442 0.3340 0.5470 0.053 Uiso 1 1 calc R . .
H18B H 0.7577 0.3391 0.7618 0.053 Uiso 1 1 calc R . .
C19 C 0.7404(4) 0.3918(4) 0.6732(17) 0.041(3) Uani 1 1 d . . .
H19 H 0.7061 0.3768 0.7130 0.049 Uiso 1 1 calc R . .
C20 C 0.7795(4) 0.4359(5) 0.7942(16) 0.042(3) Uani 1 1 d . . .
H20A H 0.7668 0.4543 0.8592 0.051 Uiso 1 1 calc R . .
H20B H 0.7986 0.4276 0.8775 0.051 Uiso 1 1 calc R . .
C21 C 0.8048(4) 0.4586(5) 0.6040(15) 0.040(3) Uani 1 1 d . . .
H21 H 0.8204 0.4943 0.5945 0.047 Uiso 1 1 calc R . .
C22 C 0.7573(4) 0.4295(4) 0.4967(15) 0.037(2) Uani 1 1 d . . .
C23 C 0.7562(4) 0.4085(4) 0.2989(15) 0.036(3) Uani 1 1 d . . .
H23A H 0.7328 0.3741 0.2975 0.054 Uiso 1 1 calc R . .
H23B H 0.7881 0.4136 0.2690 0.054 Uiso 1 1 calc R . .
H23C H 0.7470 0.4249 0.2077 0.054 Uiso 1 1 calc R . .
C24 C 0.7260(4) 0.4532(4) 0.5044(17) 0.037(2) Uani 1 1 d . . .
H24A H 0.7155 0.4529 0.6314 0.056 Uiso 1 1 calc R . .
H24B H 0.6978 0.4355 0.4254 0.056 Uiso 1 1 calc R . .
H24C H 0.7446 0.4865 0.4614 0.056 Uiso 1 1 calc R . .
C25 C 1.0321(4) 0.6314(4) 0.3969(18) 0.039(3) Uani 1 1 d . . .
C26 C 1.0784(5) 0.6679(4) 0.359(2) 0.048(3) Uani 1 1 d . . .
C27 C 1.0914(5) 0.7193(5) 0.350(2) 0.053(4) Uani 1 1 d . . .
H27 H 1.1234 0.7440 0.3275 0.064 Uiso 1 1 calc R . .
C28 C 1.0550(5) 0.7296(4) 0.377(2) 0.051(3) Uani 1 1 d . . .
H28 H 1.0628 0.7621 0.3714 0.061 Uiso 1 1 calc R . .
C29 C 1.0065(5) 0.6940(4) 0.4122(15) 0.045(3) Uani 1 1 d . . .
H29 H 0.9816 0.7015 0.4258 0.054 Uiso 1 1 calc R . .
C30 C 0.9986(5) 0.6480(4) 0.4248(16) 0.041(3) Uani 1 1 d . . .
C31 C 1.1205(4) 0.6560(5) 0.3248(19) 0.047(3) Uani 1 1 d . . .
H31A H 1.1239 0.6525 0.1925 0.071 Uiso 1 1 calc R . .
H31B H 1.1127 0.6260 0.3876 0.071 Uiso 1 1 calc R . .
H31C H 1.1507 0.6821 0.3735 0.071 Uiso 1 1 calc R . .
C32 C 0.9473(5) 0.6061(5) 0.437(2) 0.048(3) Uani 1 1 d . . .
H32A H 0.9265 0.6174 0.4881 0.072 Uiso 1 1 calc R . .
H32B H 0.9464 0.5813 0.5175 0.072 Uiso 1 1 calc R . .
H32C H 0.9360 0.5928 0.3141 0.072 Uiso 1 1 calc R . .
C33 C 0.0411(4) 0.9628(5) 0.0903(16) 0.037(3) Uani 1 1 d . . .
H33A H 0.0545 0.9498 0.1815 0.044 Uiso 1 1 calc R . .
H33B H 0.0668 0.9945 0.0471 0.044 Uiso 1 1 calc R . .
C34 C 0.0164(6) 0.9269(6) -0.076(2) 0.057(4) Uani 1 1 d . . .
H34A H 0.0002 0.8939 -0.0296 0.086 Uiso 1 1 calc R . .
H34B H 0.0408 0.9312 -0.1659 0.086 Uiso 1 1 calc R . .
H34C H -0.0072 0.9335 -0.1340 0.086 Uiso 1 1 calc R . .
Cl1 Cl 0.5489(2) 0.7691(2) 0.0839(9) 0.0467(14) Uani 0.50 1 d P . .
Cl2 Cl 0.11111(19) 0.0000 0.8333 0.0678(15) Uani 1 2 d S . .
N1 N 0.9710(4) 0.4090(3) 0.4388(12) 0.0319(19) Uani 1 1 d . . .
N2 N 0.9143(3) 0.4437(3) 0.5055(11) 0.0296(19) Uani 1 1 d . . .
N3 N 1.0213(4) 0.5853(4) 0.3984(12) 0.037(2) Uani 1 1 d . . .
O1 O 0.0000 0.9657(3) 0.1667 0.0167(17) Uani 1 2 d S . .
O2W O 0.7696(10) 0.7008(11) 0.406(3) 0.071(9) Uani 0.40 1 d P . .
H2X H 0.7627 0.7234 0.3915 0.085 Uiso 0.40 1 d PR . .
H2Y H 0.7888 0.7076 0.4992 0.085 Uiso 0.40 1 d PR . .
O3W O 0.7831(11) 0.6839(12) 0.167(4) 0.051(7) Uani 0.30 1 d P . .
H3X H 0.8089 0.7077 0.1207 0.062 Uiso 0.30 1 d PR . .
H3Y H 0.7586 0.6783 0.0998 0.062 Uiso 0.30 1 d PR . .
O4W O 0.7749(6) 0.7749(6) 1.0000 0.038(4) Uani 0.60 2 d SP . .
H4X H 0.7781 0.7755 0.8814 0.045 Uiso 0.30 1 d PR . .
H4Y H 0.7973 0.8017 1.0462 0.045 Uiso 0.30 1 d PR . .
O5W O 0.1342(11) 0.7724(8) 0.912(5) 0.080(9) Uani 0.40 1 d P . .
H5WX H 0.1600 0.7728 0.8752 0.096 Uiso 0.40 1 d PR . .
H5Y H 0.1343 0.7746 1.0311 0.096 Uiso 0.40 1 d PR . .
O6W O 0.1592(10) 0.8417(10) 0.619(4) 0.046(7) Uani 0.30 1 d P . .
H6X H 0.1382 0.8510 0.6157 0.055 Uiso 0.30 1 d PR . .
H6Y H 0.1873 0.8661 0.6425 0.055 Uiso 0.30 1 d PR . .
O7W O 1.0000 0.7909(9) 0.1667 0.123(16) Uani 0.60 2 d SP . .
H7X H 1.0082 0.8127 0.0820 0.148 Uiso 0.30 1 d PR . .
H7Y H 0.9765 0.7893 0.2307 0.148 Uiso 0.30 1 d PR . .
O8W O 0.0339(12) 0.8470(11) 0.586(5) 0.062(9) Uani 0.30 1 d P . .
H8X H 0.0130 0.8546 0.6236 0.074 Uiso 0.30 1 d PR . .
H8Y H 0.0357 0.8277 0.6655 0.074 Uiso 0.30 1 d PR . .
O9W O 0.1159(11) 0.9172(10) 0.456(5) 0.097(12) Uani 0.40 1 d P . .
H9X H 0.1326 0.9052 0.4110 0.116 Uiso 0.40 1 d PR . .
H9Y H 0.1095 0.9317 0.3699 0.116 Uiso 0.40 1 d PR . .
O1W O 0.1203(10) 0.9123(10) 0.184(4) 0.052(8) Uani 0.30 1 d P . .
H1X H 0.1470 0.9353 0.1400 0.062 Uiso 0.30 1 d PR . .
H1Y H 0.0963 0.9126 0.1313 0.062 Uiso 0.30 1 d PR . .
Pt1 Pt 0.989787(15) 0.475864(16) 0.43125(5) 0.03010(12) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N3 C1 Pt1 173.2(9) . .
C3 C2 C7 120.3(11) . .
C3 C2 Pt1 130.9(9) . .
C7 C2 Pt1 108.7(9) . .
C2 C3 C4 121.2(11) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C5 C4 C3 117.4(12) . .
C5 C4 H4 121.3 . .
C3 C4 H4 121.3 . .
C4 C5 C6 124.7(13) . .
C4 C5 H5 117.6 . .
C6 C5 H5 117.6 . .
C5 C6 C7 116.2(12) . .
C5 C6 H6 121.9 . .
C7 C6 H6 121.9 . .
C2 C7 C6 119.3(11) . .
C2 C7 C8 118.4(12) . .
C6 C7 C8 122.0(11) . .
C9 C8 N1 121.1(11) . .
C9 C8 C7 128.9(12) . .
N1 C8 C7 109.9(10) . .
C8 C9 C10 123.2(13) . .
C8 C9 H9 118.4 . .
C10 C9 H9 118.4 . .
C9 C10 C11 116.7(11) . .
C9 C10 H10 121.7 . .
C11 C10 H10 121.7 . .
C10 C11 C12 118.1(11) . .
C10 C11 H11 120.9 . .
C12 C11 H11 120.9 . .
N1 C12 C13 114.2(10) . .
N1 C12 C11 122.1(10) . .
C13 C12 C11 123.4(10) . .
C14 C13 N2 118.6(10) . .
C14 C13 C12 126.4(11) . .
N2 C13 C12 114.8(10) . .
C13 C14 C15 120.3(9) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C16 C15 C14 117.5(9) . .
C16 C15 C18 123.3(10) . .
C14 C15 C18 119.2(9) . .
C15 C16 C17 123.2(10) . .
C15 C16 C21 113.8(10) . .
C17 C16 C21 123.1(10) . .
N2 C17 C16 119.9(10) . .
N2 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C19 C18 C15 107.8(9) . .
C19 C18 H18A 110.1 . .
C15 C18 H18A 110.1 . .
C19 C18 H18B 110.1 . .
C15 C18 H18B 110.1 . .
H18A C18 H18B 108.5 . .
C18 C19 C20 105.4(10) . .
C18 C19 C22 108.9(9) . .
C20 C19 C22 87.1(8) . .
C18 C19 H19 117.1 . .
C20 C19 H19 117.1 . .
C22 C19 H19 117.1 . .
C21 C20 C19 85.7(9) . .
C21 C20 H20A 114.4 . .
C19 C20 H20A 114.4 . .
C21 C20 H20B 114.4 . .
C19 C20 H20B 114.4 . .
H20A C20 H20B 111.5 . .
C22 C21 C20 92.1(9) . .
C22 C21 C16 110.8(10) . .
C20 C21 C16 103.4(9) . .
C22 C21 H21 115.9 . .
C20 C21 H21 115.9 . .
C16 C21 H21 115.9 . .
C24 C22 C21 112.1(10) . .
C24 C22 C23 111.4(9) . .
C21 C22 C23 121.4(10) . .
C24 C22 C19 106.2(9) . .
C21 C22 C19 85.2(8) . .
C23 C22 C19 117.4(10) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N3 C25 C26 120.8(12) . .
N3 C25 C30 125.6(11) . .
C26 C25 C30 113.5(11) . .
C25 C26 C27 122.3(13) . .
C25 C26 C31 120.4(11) . .
C27 C26 C31 117.3(11) . .
C28 C27 C26 117.3(13) . .
C28 C27 H27 121.4 . .
C26 C27 H27 121.4 . .
C27 C28 C29 123.7(13) . .
C27 C28 H28 118.2 . .
C29 C28 H28 118.2 . .
C30 C29 C28 114.6(14) . .
C30 C29 H29 122.7 . .
C28 C29 H29 122.7 . .
C29 C30 C25 128.4(13) . .
C29 C30 C32 119.5(12) . .
C25 C30 C32 111.2(11) . .
C26 C31 H31A 109.5 . .
C26 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C26 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O1 C33 C34 101.2(8) . .
O1 C33 H33A 111.5 . .
C34 C33 H33A 111.5 . .
O1 C33 H33B 111.5 . .
C34 C33 H33B 111.5 . .
H33A C33 H33B 109.4 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C12 N1 C8 118.2(10) . .
C12 N1 Pt1 121.6(8) . .
C8 N1 Pt1 119.5(7) . .
C17 N2 C13 120.4(9) . .
C17 N2 Pt1 129.6(8) . .
C13 N2 Pt1 109.9(7) . .
C1 N3 C25 177.6(12) . .
C33 O1 C33 118.7(13) 5 .
H2X O2W H2Y 109.5 . .
H3X O3W H3Y 109.5 . .
H4X O4W H4Y 109.2 . .
H5WX O5W H5Y 109.8 . .
H6X O6W H6Y 109.5 . .
H7X O7W H7Y 109.5 . .
H8X O8W H8Y 109.5 . .
H9X O9W H9Y 109.5 . .
H1X O1W H1Y 109.5 . .
C1 Pt1 N1 175.3(4) . .
C1 Pt1 C2 92.9(5) . .
N1 Pt1 C2 83.3(4) . .
C1 Pt1 N2 104.7(4) . .
N1 Pt1 N2 79.0(4) . .
C2 Pt1 N2 162.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N3 1.229(16) .
C1 Pt1 1.861(12) .
C2 C3 1.356(16) .
C2 C7 1.389(16) .
C2 Pt1 2.088(11) .
C3 C4 1.402(17) .
C3 H3 0.9300 .
C4 C5 1.349(17) .
C4 H4 0.9300 .
C5 C6 1.376(16) .
C5 H5 0.9300 .
C6 C7 1.435(19) .
C6 H6 0.9300 .
C7 C8 1.503(17) .
C8 C9 1.344(18) .
C8 N1 1.402(15) .
C9 C10 1.371(16) .
C9 H9 0.9300 .
C10 C11 1.413(17) .
C10 H10 0.9300 .
C11 C12 1.454(15) .
C11 H11 0.9300 .
C12 N1 1.305(14) .
C12 C13 1.451(16) .
C13 C14 1.350(15) .
C13 N2 1.376(15) .
C14 C15 1.417(13) .
C14 H14 0.9300 .
C15 C16 1.296(15) .
C15 C18 1.578(14) .
C16 C17 1.354(16) .
C16 C21 1.558(16) .
C17 N2 1.326(16) .
C17 H17 0.9300 .
C18 C19 1.545(17) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.577(18) .
C19 C22 1.626(15) .
C19 H19 0.9800 .
C20 C21 1.552(15) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.515(16) .
C21 H21 0.9800 .
C22 C24 1.508(15) .
C22 C23 1.549(15) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 N3 1.315(15) .
C25 C26 1.361(17) .
C25 C30 1.408(17) .
C26 C27 1.461(17) .
C26 C31 1.570(18) .
C27 C28 1.350(18) .
C27 H27 0.9300 .
C28 C29 1.394(18) .
C28 H28 0.9300 .
C29 C30 1.345(18) .
C29 H29 0.9300 .
C30 C32 1.493(18) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 O1 1.449(12) .
C33 C34 1.549(18) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
N1 Pt1 1.884(9) .
N2 Pt1 2.135(9) .
O1 C33 1.449(12) 5
O2W H2X 0.8498 .
O2W H2Y 0.8501 .
O3W H3X 0.8501 .
O3W H3Y 0.8500 .
O4W H4X 0.8498 .
O4W H4Y 0.8527 .
O5W H5WX 0.8500 .
O5W H5Y 0.8500 .
O6W H6X 0.8500 .
O6W H6Y 0.8500 .
O7W H7X 0.8500 .
O7W H7Y 0.8500 .
O8W H8X 0.8500 .
O8W H8Y 0.8499 .
O9W H9X 0.8499 .
O9W H9Y 0.8499 .
O1W H1X 0.8500 .
O1W H1Y 0.8499 .
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
C7 C2 C3 C4 -8(2) . . . .
Pt1 C2 C3 C4 176.7(10) . . . .
C2 C3 C4 C5 6.2(19) . . . .
C3 C4 C5 C6 -6(2) . . . .
C4 C5 C6 C7 7.1(19) . . . .
C3 C2 C7 C6 9(2) . . . .
Pt1 C2 C7 C6 -174.7(10) . . . .
C3 C2 C7 C8 -176.9(11) . . . .
Pt1 C2 C7 C8 -0.7(15) . . . .
C5 C6 C7 C2 -8.4(18) . . . .
C5 C6 C7 C8 177.9(11) . . . .
C2 C7 C8 C9 -179.2(13) . . . .
C6 C7 C8 C9 -5(2) . . . .
C2 C7 C8 N1 3.4(16) . . . .
C6 C7 C8 N1 177.2(11) . . . .
N1 C8 C9 C10 -4.3(19) . . . .
C7 C8 C9 C10 178.5(12) . . . .
C8 C9 C10 C11 3.1(18) . . . .
C9 C10 C11 C12 -4.1(16) . . . .
C10 C11 C12 N1 6.9(16) . . . .
C10 C11 C12 C13 -179.1(10) . . . .
N1 C12 C13 C14 171.0(11) . . . .
C11 C12 C13 C14 -3.5(18) . . . .
N1 C12 C13 N2 -2.7(14) . . . .
C11 C12 C13 N2 -177.2(9) . . . .
N2 C13 C14 C15 -5.6(16) . . . .
C12 C13 C14 C15 -179.1(10) . . . .
C13 C14 C15 C16 4.6(15) . . . .
C13 C14 C15 C18 -177.4(10) . . . .
C14 C15 C16 C17 -1.3(17) . . . .
C18 C15 C16 C17 -179.2(11) . . . .
C14 C15 C16 C21 179.1(9) . . . .
C18 C15 C16 C21 1.1(15) . . . .
C15 C16 C17 N2 -0.9(19) . . . .
C21 C16 C17 N2 178.7(10) . . . .
C16 C15 C18 C19 -3.1(15) . . . .
C14 C15 C18 C19 179.0(9) . . . .
C15 C18 C19 C20 -44.3(11) . . . .
C15 C18 C19 C22 47.9(12) . . . .
C18 C19 C20 C21 86.2(9) . . . .
C22 C19 C20 C21 -22.6(8) . . . .
C19 C20 C21 C22 24.4(9) . . . .
C19 C20 C21 C16 -87.5(10) . . . .
C15 C16 C21 C22 -48.6(13) . . . .
C17 C16 C21 C22 131.8(12) . . . .
C15 C16 C21 C20 48.9(13) . . . .
C17 C16 C21 C20 -130.7(12) . . . .
C20 C21 C22 C24 81.9(11) . . . .
C16 C21 C22 C24 -172.9(9) . . . .
C20 C21 C22 C23 -142.9(11) . . . .
C16 C21 C22 C23 -37.7(14) . . . .
C20 C21 C22 C19 -23.6(9) . . . .
C16 C21 C22 C19 81.6(10) . . . .
C18 C19 C22 C24 166.3(10) . . . .
C20 C19 C22 C24 -88.4(10) . . . .
C18 C19 C22 C21 -82.1(11) . . . .
C20 C19 C22 C21 23.2(9) . . . .
C18 C19 C22 C23 40.9(14) . . . .
C20 C19 C22 C23 146.2(10) . . . .
N3 C25 C26 C27 178.1(12) . . . .
C30 C25 C26 C27 1(2) . . . .
N3 C25 C26 C31 -3(2) . . . .
C30 C25 C26 C31 179.8(12) . . . .
C25 C26 C27 C28 -2(2) . . . .
C31 C26 C27 C28 179.0(13) . . . .
C26 C27 C28 C29 0(2) . . . .
C27 C28 C29 C30 2(2) . . . .
C28 C29 C30 C25 -4(2) . . . .
C28 C29 C30 C32 -172.1(12) . . . .
N3 C25 C30 C29 -175.0(12) . . . .
C26 C25 C30 C29 2(2) . . . .
N3 C25 C30 C32 -5.9(18) . . . .
C26 C25 C30 C32 171.5(12) . . . .
C13 C12 N1 C8 177.6(9) . . . .
C11 C12 N1 C8 -7.9(15) . . . .
C13 C12 N1 Pt1 6.9(13) . . . .
C11 C12 N1 Pt1 -178.5(8) . . . .
C9 C8 N1 C12 6.6(17) . . . .
C7 C8 N1 C12 -175.7(9) . . . .
C9 C8 N1 Pt1 177.5(9) . . . .
C7 C8 N1 Pt1 -4.8(12) . . . .
C16 C17 N2 C13 -0.2(16) . . . .
C16 C17 N2 Pt1 179.2(8) . . . .
C14 C13 N2 C17 3.5(15) . . . .
C12 C13 N2 C17 177.7(10) . . . .
C14 C13 N2 Pt1 -176.0(8) . . . .
C12 C13 N2 Pt1 -1.8(11) . . . .
Pt1 C1 N3 C25 80(32) . . . .
C26 C25 N3 C1 91(29) . . . .
C30 C25 N3 C1 -91(29) . . . .
C34 C33 O1 C33 63.2(8) . . . 5
N3 C1 Pt1 N1 150(7) . . . .
N3 C1 Pt1 C2 -174(9) . . . .
N3 C1 Pt1 N2 8(9) . . . .
C12 N1 Pt1 C1 -149(6) . . . .
C8 N1 Pt1 C1 40(6) . . . .
C12 N1 Pt1 C2 174.2(9) . . . .
C8 N1 Pt1 C2 3.7(9) . . . .
C12 N1 Pt1 N2 -6.2(8) . . . .
C8 N1 Pt1 N2 -176.7(9) . . . .
C3 C2 Pt1 C1 -3.1(13) . . . .
C7 C2 Pt1 C1 -178.7(10) . . . .
C3 C2 Pt1 N1 174.1(13) . . . .
C7 C2 Pt1 N1 -1.5(9) . . . .
C3 C2 Pt1 N2 172.8(10) . . . .
C7 C2 Pt1 N2 -3(2) . . . .
C17 N2 Pt1 C1 1.6(11) . . . .
C13 N2 Pt1 C1 -179.0(7) . . . .
C17 N2 Pt1 N1 -175.5(10) . . . .
C13 N2 Pt1 N1 4.0(7) . . . .
C17 N2 Pt1 C2 -174.1(14) . . . .
C13 N2 Pt1 C2 5.4(17) . . . .
