#------------------------------------------------------------------------------
#$Date: 2019-09-24 10:20:18 +0300 (Tue, 24 Sep 2019) $
#$Revision: 218759 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/40/7234093.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_7234093
loop_
_publ_author_name
'Alexander Tronnier'
'Ute Heinemeyer'
'Stefan Metz'
'Gerhard Wagenblast'
'Ingo Muenster'
'Thomas Strassner'
_publ_section_title
;
 Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand
 - synthesis, structure and photophysics
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1680
_journal_page_last               1693
_journal_paper_doi               10.1039/C4TC02575J
_journal_volume                  3
_journal_year                    2015
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C34 H24 N2 O2 Pt'
_chemical_formula_sum            'C34 H24 N2 O2 Pt'
_chemical_formula_weight         687.63
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   40.894(6)
_cell_length_b                   40.894(6)
_cell_length_c                   9.1730(18)
_cell_measurement_reflns_used    753
_cell_measurement_temperature    198
_cell_measurement_theta_max      26.399
_cell_measurement_theta_min      4.905
_cell_volume                     13285(4)
_computing_cell_refinement       'Dirax/lsq (Duisenberg, 1992)'
_computing_data_collection       'Collect (Nonius BV, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_molecular_graphics
;
PLATON (Spek, 2011), ORTEP (Farrugia, L. J. 1997),
MERCURY (van de Streek, J. 2006)
;
_computing_publication_material  'PLATON (Spek, 2011)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 1997), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      198
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KappaCCD'
_diffrn_measurement_method       'phi- and omega-rotation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            106735
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         4.91
_exptl_absorpt_coefficient_mu    4.784
_exptl_absorpt_correction_T_max  0.612
_exptl_absorpt_correction_T_min  0.156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2.10.(Sheldrick,Bruker AXS Inc.,2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             6048
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.620
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.320
_refine_diff_density_min         -0.646
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_Flack   .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6028
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0270P)²+90.4977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0678
_reflns_number_gt                5268
_reflns_number_total             6028
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            1000003.cif
_cod_data_source_block           PCOD1000003
_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_cell_volume        13285(5)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7234093
_solvent_accessible_voids
;
The unit cell contains one methylene chloride molecule
which has been treated as a diffuse contribution to
the overall scattering without specific atom positions
by SQUEEZE/PLATON.
;
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,-z
5 y,-x+y,-z
6 x-y,x,-z
7 1/3+x,2/3+y,2/3+z
8 1/3-y,2/3+x-y,2/3+z
9 1/3-x+y,2/3-x,2/3+z
10 1/3-x,2/3-y,2/3-z
11 1/3+y,2/3-x+y,2/3-z
12 1/3+x-y,2/3+x,2/3-z
13 2/3+x,1/3+y,1/3+z
14 2/3-y,1/3+x-y,1/3+z
15 2/3-x+y,1/3-x,1/3+z
16 2/3-x,1/3-y,1/3-z
17 2/3+y,1/3-x+y,1/3-z
18 2/3+x-y,1/3+x,1/3-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt Uani 0.83929(1) 0.15112(1) -0.10875(2) 1.000 0.0237(1) d . . .
O1 O Uani 0.86958(8) 0.12267(8) -0.0893(3) 1.000 0.0301(9) d . . .
O2 O Uani 0.80283(8) 0.11009(8) -0.2481(3) 1.000 0.0280(8) d . . .
N1 N Uani 0.85528(9) 0.21559(9) 0.0598(3) 1.000 0.0241(10) d . . .
N2 N Uani 0.90268(9) 0.20565(9) 0.0935(4) 1.000 0.0259(10) d . . .
C1 C Uani 0.86902(11) 0.19223(11) 0.0220(4) 1.000 0.0251(12) d . . .
C2 C Uani 0.90951(11) 0.23684(11) 0.1808(4) 1.000 0.0260(12) d . . .
C3 C Uani 0.93930(12) 0.25911(12) 0.2712(5) 1.000 0.0311(12) d . . .
C4 C Uani 0.93786(13) 0.28833(12) 0.3427(5) 1.000 0.0344(12) d . . .
C5 C Uani 0.90767(13) 0.29454(12) 0.3231(5) 1.000 0.0318(14) d . . .
C6 C Uani 0.87789(12) 0.27224(12) 0.2314(5) 1.000 0.0299(12) d . . .
C7 C Uani 0.87921(11) 0.24309(11) 0.1591(4) 1.000 0.0247(11) d . . .
C8 C Uani 0.82226(11) 0.20869(11) -0.0189(4) 1.000 0.0248(11) d . . .
C9 C Uani 0.80999(12) 0.17791(11) -0.1139(4) 1.000 0.0267(12) d . . .
C10 C Uani 0.77928(12) 0.16981(13) -0.2016(5) 1.000 0.0313(12) d . . .
C11 C Uani 0.76146(13) 0.19110(13) -0.1950(5) 1.000 0.0354(14) d . . .
C12 C Uani 0.77427(12) 0.22114(13) -0.0987(5) 1.000 0.0358(16) d . . .
C13 C Uani 0.80486(12) 0.23035(12) -0.0096(5) 1.000 0.0316(12) d . . .
C14 C Uani 0.92961(11) 0.19373(11) 0.0686(4) 1.000 0.0256(11) d . . .
C15 C Uani 0.94434(12) 0.18391(12) 0.1866(5) 1.000 0.0324(12) d . . .
C16 C Uani 0.97157(13) 0.17390(13) 0.1614(5) 1.000 0.0372(14) d . . .
C17 C Uani 0.98405(12) 0.17373(13) 0.0219(5) 1.000 0.0379(14) d . . .
C18 C Uani 0.96917(12) 0.18332(13) -0.0936(5) 1.000 0.0364(16) d . . .
C19 C Uani 0.94192(12) 0.19359(12) -0.0710(5) 1.000 0.0297(12) d . . .
C20 C Uani 0.93268(16) 0.04693(16) -0.0411(7) 1.000 0.0583(19) d . . .
C21 C Uani 0.91531(15) 0.03825(16) -0.1749(7) 1.000 0.0532(19) d . . .
C22 C Uani 0.89325(13) 0.05375(13) -0.2168(6) 1.000 0.0402(16) d . . .
C23 C Uani 0.88779(11) 0.07734(11) -0.1235(5) 1.000 0.0303(12) d . . .
C24 C Uani 0.90614(13) 0.08635(13) 0.0111(5) 1.000 0.0398(16) d . . .
C25 C Uani 0.92839(16) 0.07131(16) 0.0518(7) 1.000 0.0544(19) d . . .
C26 C Uani 0.86250(11) 0.09281(11) -0.1589(4) 1.000 0.0272(12) d . . .
C27 C Uani 0.83301(12) 0.07331(12) -0.2587(5) 1.000 0.0293(12) d . . .
C28 C Uani 0.80519(11) 0.08218(11) -0.2974(4) 1.000 0.0252(11) d . . .
C29 C Uani 0.77501(11) 0.05779(11) -0.4024(4) 1.000 0.0273(12) d . . .
C30 C Uani 0.77092(14) 0.02451(14) -0.4611(6) 1.000 0.0429(17) d . . .
C31 C Uani 0.74221(15) 0.00321(15) -0.5586(6) 1.000 0.0486(17) d . . .
C32 C Uani 0.71697(13) 0.01467(13) -0.5987(5) 1.000 0.0408(16) d . . .
C33 C Uani 0.72052(13) 0.04737(13) -0.5434(5) 1.000 0.0374(14) d . . .
C34 C Uani 0.74924(12) 0.06865(13) -0.4445(5) 1.000 0.0344(12) d . . .
H3 H Uiso 0.95980 0.25470 0.28400 1.000 0.0370 c R . .
H4 H Uiso 0.95790 0.30440 0.40620 1.000 0.0410 c R . .
H5 H Uiso 0.90750 0.31470 0.37420 1.000 0.0390 c R . .
H6 H Uiso 0.85740 0.27670 0.21840 1.000 0.0360 c R . .
H10 H Uiso 0.77020 0.14920 -0.26780 1.000 0.0380 c R . .
H11 H Uiso 0.74050 0.18510 -0.25650 1.000 0.0430 c R . .
H12 H Uiso 0.76190 0.23550 -0.09390 1.000 0.0430 c R . .
H13 H Uiso 0.81380 0.25100 0.05630 1.000 0.0380 c R . .
H15 H Uiso 0.93580 0.18410 0.28280 1.000 0.0390 c R . .
H16 H Uiso 0.98180 0.16710 0.24110 1.000 0.0450 c R . .
H17 H Uiso 1.00290 0.16700 0.00570 1.000 0.0460 c R . .
H18 H Uiso 0.97760 0.18290 -0.18970 1.000 0.0440 c R . .
H19 H Uiso 0.93190 0.20040 -0.15110 1.000 0.0360 c R . .
H20 H Uiso 0.94760 0.03630 -0.01210 1.000 0.0700 c R . .
H21 H Uiso 0.91830 0.02170 -0.23880 1.000 0.0640 c R . .
H22 H Uiso 0.88180 0.04810 -0.31040 1.000 0.0490 c R . .
H24 H Uiso 0.90330 0.10300 0.07530 1.000 0.0480 c R . .
H25 H Uiso 0.94080 0.07770 0.14360 1.000 0.0650 c R . .
H27 H Uiso 0.83180 0.05190 -0.30480 1.000 0.0350 c R . .
H30 H Uiso 0.78810 0.01630 -0.43370 1.000 0.0520 c R . .
H31 H Uiso 0.73990 -0.01940 -0.59790 1.000 0.0580 c R . .
H32 H Uiso 0.69710 -0.00020 -0.66480 1.000 0.0490 c R . .
H33 H Uiso 0.70340 0.05550 -0.57240 1.000 0.0450 c R . .
H34 H Uiso 0.75120 0.09110 -0.40510 1.000 0.0410 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 0.0033 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'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Pt1 O2 89.35(13) . . . yes
O1 Pt1 C1 98.16(16) . . . yes
O1 Pt1 C9 176.43(13) . . . yes
O2 Pt1 C1 172.40(18) . . . yes
O2 Pt1 C9 92.53(15) . . . yes
C1 Pt1 C9 79.90(19) . . . yes
Pt1 O1 C26 125.2(3) . . . yes
Pt1 O2 C28 127.3(3) . . . yes
C1 N1 C7 111.1(4) . . . yes
C1 N1 C8 114.2(3) . . . yes
C7 N1 C8 134.5(4) . . . yes
C1 N2 C2 109.9(4) . . . yes
C1 N2 C14 125.4(3) . . . yes
C2 N2 C14 124.2(4) . . . yes
Pt1 C1 N1 117.8(3) . . . yes
Pt1 C1 N2 136.0(3) . . . yes
N1 C1 N2 106.2(3) . . . yes
N2 C2 C3 130.6(5) . . . yes
N2 C2 C7 106.9(4) . . . yes
C3 C2 C7 122.5(4) . . . no
C2 C3 C4 116.7(5) . . . no
C3 C4 C5 121.3(4) . . . no
C4 C5 C6 121.9(4) . . . no
C5 C6 C7 117.2(5) . . . no
N1 C7 C2 105.9(4) . . . yes
N1 C7 C6 133.7(5) . . . yes
C2 C7 C6 120.5(4) . . . no
N1 C8 C9 111.7(4) . . . yes
N1 C8 C13 125.3(4) . . . yes
C9 C8 C13 122.9(4) . . . no
Pt1 C9 C8 115.9(4) . . . yes
Pt1 C9 C10 127.3(3) . . . yes
C8 C9 C10 116.8(4) . . . no
C9 C10 C11 121.5(4) . . . no
C10 C11 C12 120.0(5) . . . no
C11 C12 C13 120.6(5) . . . no
C8 C13 C12 118.3(4) . . . no
N2 C14 C15 119.5(4) . . . yes
N2 C14 C19 119.7(4) . . . yes
C15 C14 C19 120.7(5) . . . no
C14 C15 C16 118.9(4) . . . no
C15 C16 C17 120.7(5) . . . no
C16 C17 C18 119.8(5) . . . no
C17 C18 C19 120.6(4) . . . no
C14 C19 C18 119.4(4) . . . no
C21 C20 C25 120.0(6) . . . no
C20 C21 C22 119.9(6) . . . no
C21 C22 C23 120.8(5) . . . no
C22 C23 C24 118.5(5) . . . no
C22 C23 C26 123.1(4) . . . no
C24 C23 C26 118.4(4) . . . no
C23 C24 C25 120.6(5) . . . no
C20 C25 C24 120.2(6) . . . no
O1 C26 C23 115.0(4) . . . yes
O1 C26 C27 126.1(5) . . . yes
C23 C26 C27 118.8(4) . . . no
C26 C27 C28 126.6(4) . . . no
O2 C28 C27 125.2(4) . . . yes
O2 C28 C29 114.9(4) . . . yes
C27 C28 C29 119.9(4) . . . no
C28 C29 C30 124.0(5) . . . no
C28 C29 C34 118.3(4) . . . no
C30 C29 C34 117.7(4) . . . no
C29 C30 C31 121.0(6) . . . no
C30 C31 C32 120.1(5) . . . no
C31 C32 C33 120.1(5) . . . no
C32 C33 C34 119.8(5) . . . no
C29 C34 C33 121.3(4) . . . no
C2 C3 H3 122.00 . . . no
C4 C3 H3 122.00 . . . no
C3 C4 H4 119.00 . . . no
C5 C4 H4 119.00 . . . no
C4 C5 H5 119.00 . . . no
C6 C5 H5 119.00 . . . no
C5 C6 H6 121.00 . . . no
C7 C6 H6 121.00 . . . no
C9 C10 H10 119.00 . . . no
C11 C10 H10 119.00 . . . no
C10 C11 H11 120.00 . . . no
C12 C11 H11 120.00 . . . no
C11 C12 H12 120.00 . . . no
C13 C12 H12 120.00 . . . no
C8 C13 H13 121.00 . . . no
C12 C13 H13 121.00 . . . no
C14 C15 H15 120.00 . . . no
C16 C15 H15 121.00 . . . no
C15 C16 H16 120.00 . . . no
C17 C16 H16 120.00 . . . no
C16 C17 H17 120.00 . . . no
C18 C17 H17 120.00 . . . no
C17 C18 H18 120.00 . . . no
C19 C18 H18 120.00 . . . no
C14 C19 H19 120.00 . . . no
C18 C19 H19 120.00 . . . no
C21 C20 H20 120.00 . . . no
C25 C20 H20 120.00 . . . no
C20 C21 H21 120.00 . . . no
C22 C21 H21 120.00 . . . no
C21 C22 H22 119.00 . . . no
C23 C22 H22 120.00 . . . no
C23 C24 H24 120.00 . . . no
C25 C24 H24 120.00 . . . no
C20 C25 H25 120.00 . . . no
C24 C25 H25 120.00 . . . no
C26 C27 H27 117.00 . . . no
C28 C27 H27 117.00 . . . no
C29 C30 H30 120.00 . . . no
C31 C30 H30 120.00 . . . no
C30 C31 H31 120.00 . . . no
C32 C31 H31 120.00 . . . no
C31 C32 H32 120.00 . . . no
C33 C32 H32 120.00 . . . no
C32 C33 H33 120.00 . . . no
C34 C33 H33 120.00 . . . no
C29 C34 H34 119.00 . . . no
C33 C34 H34 119.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 O1 2.088(4) . . yes
Pt1 O2 2.042(3) . . yes
Pt1 C1 1.923(4) . . yes
Pt1 C9 1.988(5) . . yes
O1 C26 1.276(5) . . yes
O2 C28 1.275(5) . . yes
N1 C1 1.373(6) . . yes
N1 C7 1.397(5) . . yes
N1 C8 1.429(6) . . yes
N2 C1 1.368(6) . . yes
N2 C2 1.411(5) . . yes
N2 C14 1.428(6) . . yes
C2 C3 1.375(6) . . no
C2 C7 1.399(7) . . no
C3 C4 1.390(7) . . no
C4 C5 1.391(8) . . no
C5 C6 1.383(7) . . no
C6 C7 1.389(6) . . no
C8 C9 1.401(5) . . no
C8 C13 1.389(7) . . no
C9 C10 1.385(7) . . no
C10 C11 1.388(8) . . no
C11 C12 1.386(7) . . no
C12 C13 1.380(7) . . no
C14 C15 1.392(6) . . no
C14 C19 1.377(6) . . no
C15 C16 1.385(8) . . no
C16 C17 1.379(7) . . no
C17 C18 1.373(7) . . no
C18 C19 1.389(8) . . no
C20 C21 1.373(9) . . no
C20 C25 1.388(9) . . no
C21 C22 1.391(9) . . no
C22 C23 1.389(7) . . no
C23 C24 1.395(7) . . no
C23 C26 1.493(7) . . no
C24 C25 1.380(9) . . no
C26 C27 1.402(6) . . no
C27 C28 1.402(7) . . no
C28 C29 1.488(6) . . no
C29 C30 1.394(7) . . no
C29 C34 1.387(7) . . no
C30 C31 1.384(8) . . no
C31 C32 1.380(9) . . no
C32 C33 1.368(7) . . no
C33 C34 1.392(7) . . no
C3 H3 0.9500 . . no
C4 H4 0.9500 . . no
C5 H5 0.9500 . . no
C6 H6 0.9500 . . no
C10 H10 0.9500 . . no
C11 H11 0.9500 . . no
C12 H12 0.9500 . . no
C13 H13 0.9500 . . no
C15 H15 0.9500 . . no
C16 H16 0.9500 . . no
C17 H17 0.9500 . . no
C18 H18 0.9500 . . no
C19 H19 0.9500 . . no
C20 H20 0.9500 . . no
C21 H21 0.9500 . . no
C22 H22 0.9500 . . no
C24 H24 0.9500 . . no
C25 H25 0.9500 . . no
C27 H27 0.9500 . . no
C30 H30 0.9500 . . no
C31 H31 0.9500 . . no
C32 H32 0.9500 . . no
C33 H33 0.9500 . . no
C34 H34 0.9500 . . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C10 H10 O2 0.9500 2.5500 3.070(6) 115.00 . yes
C34 H34 O2 0.9500 2.3400 2.685(6) 100.00 . yes
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
O2 Pt1 O1 C26 3.4(3) . . . . no
C1 Pt1 O1 C26 -177.7(3) . . . . no
O1 Pt1 O2 C28 -4.5(3) . . . . no
C9 Pt1 O2 C28 178.5(3) . . . . no
O1 Pt1 C1 N1 -170.2(3) . . . . no
O1 Pt1 C1 N2 9.7(4) . . . . no
C9 Pt1 C1 N1 6.8(3) . . . . no
C9 Pt1 C1 N2 -173.3(4) . . . . no
O2 Pt1 C9 C8 174.2(3) . . . . no
O2 Pt1 C9 C10 -6.6(4) . . . . no
C1 Pt1 C9 C8 -5.0(3) . . . . no
C1 Pt1 C9 C10 174.2(4) . . . . no
Pt1 O1 C26 C23 -178.7(3) . . . . no
Pt1 O1 C26 C27 -1.1(6) . . . . no
Pt1 O2 C28 C27 3.2(6) . . . . no
Pt1 O2 C28 C29 -177.6(2) . . . . no
C7 N1 C1 Pt1 177.8(3) . . . . no
C7 N1 C1 N2 -2.1(4) . . . . no
C8 N1 C1 Pt1 -7.4(4) . . . . no
C8 N1 C1 N2 172.7(3) . . . . no
C1 N1 C7 C2 1.4(4) . . . . no
C1 N1 C7 C6 -178.6(4) . . . . no
C8 N1 C7 C2 -172.0(4) . . . . no
C8 N1 C7 C6 8.0(7) . . . . no
C1 N1 C8 C9 2.9(5) . . . . no
C1 N1 C8 C13 -174.4(4) . . . . no
C7 N1 C8 C9 176.1(4) . . . . no
C7 N1 C8 C13 -1.1(7) . . . . no
C2 N2 C1 Pt1 -177.8(3) . . . . no
C2 N2 C1 N1 2.1(4) . . . . no
C14 N2 C1 Pt1 10.6(6) . . . . no
C14 N2 C1 N1 -169.6(3) . . . . no
C1 N2 C2 C3 179.8(4) . . . . no
C1 N2 C2 C7 -1.3(4) . . . . no
C14 N2 C2 C3 -8.5(7) . . . . no
C14 N2 C2 C7 170.5(4) . . . . no
C1 N2 C14 C15 -131.0(4) . . . . no
C1 N2 C14 C19 51.7(6) . . . . no
C2 N2 C14 C15 58.5(5) . . . . no
C2 N2 C14 C19 -118.8(4) . . . . no
N2 C2 C3 C4 179.5(4) . . . . no
C7 C2 C3 C4 0.7(6) . . . . no
N2 C2 C7 N1 -0.1(4) . . . . no
N2 C2 C7 C6 179.9(4) . . . . no
C3 C2 C7 N1 179.0(4) . . . . no
C3 C2 C7 C6 -1.0(6) . . . . no
C2 C3 C4 C5 0.0(7) . . . . no
C3 C4 C5 C6 -0.4(7) . . . . no
C4 C5 C6 C7 0.1(7) . . . . no
C5 C6 C7 N1 -179.5(4) . . . . no
C5 C6 C7 C2 0.6(6) . . . . no
N1 C8 C9 Pt1 2.6(4) . . . . no
N1 C8 C9 C10 -176.7(4) . . . . no
C13 C8 C9 Pt1 179.9(3) . . . . no
C13 C8 C9 C10 0.6(6) . . . . no
N1 C8 C13 C12 176.6(4) . . . . no
C9 C8 C13 C12 -0.4(7) . . . . no
Pt1 C9 C10 C11 -179.5(4) . . . . no
C8 C9 C10 C11 -0.3(6) . . . . no
C9 C10 C11 C12 -0.2(7) . . . . no
C10 C11 C12 C13 0.5(7) . . . . no
C11 C12 C13 C8 -0.2(7) . . . . no
N2 C14 C15 C16 -177.4(4) . . . . no
C19 C14 C15 C16 -0.1(6) . . . . no
N2 C14 C19 C18 177.6(4) . . . . no
C15 C14 C19 C18 0.4(6) . . . . no
C14 C15 C16 C17 0.2(7) . . . . no
C15 C16 C17 C18 -0.5(7) . . . . no
C16 C17 C18 C19 0.7(7) . . . . no
C17 C18 C19 C14 -0.6(7) . . . . no
C25 C20 C21 C22 -0.4(9) . . . . no
C21 C20 C25 C24 1.2(9) . . . . no
C20 C21 C22 C23 -1.5(8) . . . . no
C21 C22 C23 C24 2.5(7) . . . . no
C21 C22 C23 C26 -176.1(5) . . . . no
C22 C23 C24 C25 -1.7(7) . . . . no
C26 C23 C24 C25 176.9(5) . . . . no
C22 C23 C26 O1 -158.0(4) . . . . no
C22 C23 C26 C27 24.2(6) . . . . no
C24 C23 C26 O1 23.5(6) . . . . no
C24 C23 C26 C27 -154.3(4) . . . . no
C23 C24 C25 C20 -0.1(8) . . . . no
O1 C26 C27 C28 -2.1(7) . . . . no
C23 C26 C27 C28 175.5(4) . . . . no
C26 C27 C28 O2 1.0(7) . . . . no
C26 C27 C28 C29 -178.2(4) . . . . no
O2 C28 C29 C30 -175.4(4) . . . . no
O2 C28 C29 C34 4.4(6) . . . . no
C27 C28 C29 C30 3.8(6) . . . . no
C27 C28 C29 C34 -176.4(4) . . . . no
C28 C29 C30 C31 -179.9(5) . . . . no
C34 C29 C30 C31 0.3(7) . . . . no
C28 C29 C34 C33 179.4(4) . . . . no
C30 C29 C34 C33 -0.8(7) . . . . no
C29 C30 C31 C32 -0.3(8) . . . . no
C30 C31 C32 C33 0.7(8) . . . . no
C31 C32 C33 C34 -1.2(7) . . . . no
C32 C33 C34 C29 1.3(7) . . . . no
