#------------------------------------------------------------------------------
#$Date: 2019-09-24 10:20:37 +0300 (Tue, 24 Sep 2019) $
#$Revision: 218761 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/40/7234095.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_7234095
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         'C41 H38 N2 O2 Pt'
_chemical_formula_sum            'C41 H38 N2 O2 Pt'
_chemical_formula_weight         785.81
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                104.184(12)
_cell_angle_beta                 91.124(11)
_cell_angle_gamma                90.253(15)
_cell_formula_units_Z            4
_cell_length_a                   10.545(3)
_cell_length_b                   13.434(2)
_cell_length_c                   25.0600(19)
_cell_measurement_reflns_used    261
_cell_measurement_temperature    198
_cell_measurement_theta_max      25.514
_cell_measurement_theta_min      2.089
_cell_volume                     3441.0(11)
_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    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      198
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_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  0.0545
_diffrn_reflns_av_unetI/netI     0.1050
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            44960
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    4.115
_exptl_absorpt_correction_T_max  0.216
_exptl_absorpt_correction_T_min  0.183
_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    1.517
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1568
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.630
_exptl_crystal_size_mid          0.540
_exptl_crystal_size_min          0.540
_refine_diff_density_max         2.673
_refine_diff_density_min         -1.942
_refine_diff_density_rms         0.293
_refine_ls_abs_structure_Flack   .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.210
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         11747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.210
_refine_ls_R_factor_all          0.1509
_refine_ls_R_factor_gt           0.0557
_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)+(0.0549P)²+31.7997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1613
_reflns_number_gt                6843
_reflns_number_total             11747
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            1000005.cif
_cod_data_source_block           PCOD1000005
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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_database_code               7234095
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-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 0.54018(4) 0.70172(3) 0.18071(2) 1.000 0.0226(2) d . . .
O1 O Uani 0.4163(8) 0.7724(6) 0.2414(3) 1.000 0.030(3) d . . .
O2 O Uani 0.4374(7) 0.7573(6) 0.1236(3) 1.000 0.028(3) d . . .
N1 N Uani 0.7571(9) 0.5909(7) 0.2016(4) 1.000 0.027(3) d . . .
N2 N Uani 0.6588(9) 0.6396(7) 0.2800(4) 1.000 0.024(3) d . . .
C1 C Uani 0.6546(11) 0.6433(9) 0.2268(5) 1.000 0.028(4) d . . .
C2 C Uani 0.7649(11) 0.5817(9) 0.2888(5) 1.000 0.025(4) d . . .
C3 C Uani 0.8066(12) 0.5553(9) 0.3359(5) 1.000 0.033(5) d . . .
C4 C Uani 0.9129(14) 0.4941(11) 0.3317(7) 1.000 0.051(6) d . . .
C5 C Uani 0.9729(14) 0.4621(11) 0.2814(7) 1.000 0.048(6) d . . .
C6 C Uani 0.9339(13) 0.4891(9) 0.2341(6) 1.000 0.042(5) d . . .
C7 C Uani 0.8270(11) 0.5508(9) 0.2390(5) 1.000 0.025(4) d . . .
C8 C Uani 0.7669(11) 0.5865(8) 0.1450(5) 1.000 0.024(4) d . . .
C9 C Uani 0.6645(12) 0.6347(8) 0.1252(5) 1.000 0.027(4) d . . .
C10 C Uani 0.6615(13) 0.6332(9) 0.0695(5) 1.000 0.035(5) d . . .
C11 C Uani 0.7600(14) 0.5829(11) 0.0355(6) 1.000 0.044(5) d . . .
C12 C Uani 0.8572(14) 0.5399(11) 0.0559(7) 1.000 0.050(6) d . . .
C13 C Uani 0.8647(13) 0.5409(10) 0.1119(6) 1.000 0.041(5) d . . .
C14 C Uani 0.5662(11) 0.6828(9) 0.3219(5) 1.000 0.027(4) d . . .
C15 C Uani 0.6024(12) 0.7876(10) 0.3564(5) 1.000 0.032(5) d . . .
C16 C Uani 0.7249(12) 0.8238(10) 0.3654(6) 1.000 0.040(5) d . . .
C17 C Uani 0.7506(13) 0.9168(10) 0.4010(6) 1.000 0.042(5) d . . .
C18 C Uani 0.6541(14) 0.9765(10) 0.4294(6) 1.000 0.044(5) d . . .
C19 C Uani 0.5313(14) 0.9414(10) 0.4201(6) 1.000 0.041(5) d . . .
C20 C Uani 0.5056(12) 0.8496(9) 0.3844(5) 1.000 0.032(5) d . . .
C21 C Uani 0.1039(14) 1.0140(12) 0.4460(6) 1.000 0.053(6) d . . .
C22 C Uani 0.1514(11) 0.9666(10) 0.3879(5) 1.000 0.029(4) d . . .
C23 C Uani 0.1067(11) 0.8735(10) 0.3575(6) 1.000 0.034(5) d . . .
C24 C Uani 0.1552(12) 0.8289(9) 0.3066(6) 1.000 0.036(5) d . . .
C25 C Uani 0.1024(13) 0.7278(10) 0.2731(6) 1.000 0.052(6) d . . .
C26 C Uani 0.2533(11) 0.8783(9) 0.2851(5) 1.000 0.026(4) d . . .
C27 C Uani 0.2988(11) 0.9737(9) 0.3160(5) 1.000 0.028(4) d . . .
C28 C Uani 0.4078(12) 1.0269(10) 0.2952(5) 1.000 0.036(5) d . . .
C29 C Uani 0.2439(12) 1.0179(9) 0.3665(6) 1.000 0.034(5) d . . .
C30 C Uani 0.3213(11) 0.8273(9) 0.2333(5) 1.000 0.027(4) d . . .
C31 C Uani 0.2802(11) 0.8438(9) 0.1843(5) 1.000 0.029(4) d . . .
C32 C Uani 0.3385(12) 0.8137(9) 0.1343(5) 1.000 0.027(4) d . . .
C33 C Uani 0.2919(11) 0.8564(9) 0.0883(5) 1.000 0.028(4) d . . .
C34 C Uani 0.1800(11) 0.8246(10) 0.0608(5) 1.000 0.031(4) d . . .
C35 C Uani 0.1010(14) 0.7401(11) 0.0735(7) 1.000 0.055(6) d . . .
C36 C Uani 0.1404(12) 0.8693(11) 0.0195(6) 1.000 0.042(5) d . . .
C37 C Uani 0.2124(14) 0.9442(11) 0.0031(5) 1.000 0.039(5) d . . .
C38 C Uani 0.1668(15) 0.9933(12) -0.0419(6) 1.000 0.057(6) d . . .
C39 C Uani 0.3258(13) 0.9745(10) 0.0307(6) 1.000 0.041(5) d . . .
C40 C Uani 0.3696(11) 0.9322(10) 0.0725(5) 1.000 0.031(4) d . . .
C41 C Uani 0.4932(12) 0.9681(12) 0.1030(6) 1.000 0.047(6) d . . .
Pt2 Pt Uani 0.19446(4) 0.26878(3) 0.31796(2) 1.000 0.0230(2) d . . .
O3 O Uani 0.3181(8) 0.2774(6) 0.2546(3) 1.000 0.032(3) d . . .
O4 O Uani 0.2966(8) 0.3807(6) 0.3716(3) 1.000 0.032(3) d . . .
N3 N Uani -0.0188(9) 0.1337(8) 0.3019(4) 1.000 0.028(3) d . . .
N4 N Uani 0.0797(9) 0.1004(7) 0.2241(4) 1.000 0.026(3) d . . .
C42 C Uani 0.0838(11) 0.1608(9) 0.2760(5) 1.000 0.025(4) d . . .
C43 C Uani -0.0235(12) 0.0328(9) 0.2171(6) 1.000 0.034(5) d . . .
C44 C Uani -0.0620(13) -0.0398(10) 0.1726(6) 1.000 0.044(3) d . . .
C45 C Uani -0.1716(13) -0.0965(10) 0.1801(6) 1.000 0.044(3) d . . .
C46 C Uani -0.2325(14) -0.0773(10) 0.2287(6) 1.000 0.044(3) d . . .
C47 C Uani -0.1922(12) -0.0012(10) 0.2733(6) 1.000 0.041(5) d . . .
C48 C Uani -0.0873(11) 0.0531(9) 0.2677(5) 1.000 0.027(4) d . . .
C49 C Uani -0.0325(11) 0.1888(10) 0.3578(6) 1.000 0.031(5) d . . .
C50 C Uani 0.0669(12) 0.2607(9) 0.3750(5) 1.000 0.031(4) d . . .
C51 C Uani 0.0627(12) 0.3214(10) 0.4293(6) 1.000 0.035(5) d . . .
C52 C Uani -0.0321(13) 0.3057(12) 0.4632(6) 1.000 0.047(6) d . . .
C53 C Uani -0.1262(13) 0.2348(11) 0.4453(7) 1.000 0.047(6) d . . .
C54 C Uani -0.1299(12) 0.1757(10) 0.3918(6) 1.000 0.040(5) d . . .
C55 C Uani 0.1685(11) 0.1076(9) 0.1814(5) 1.000 0.024(4) d . . .
C56 C Uani 0.1301(12) 0.1812(9) 0.1472(5) 1.000 0.028(4) d . . .
C57 C Uani 0.0103(12) 0.2228(9) 0.1477(5) 1.000 0.031(4) d . . .
C58 C Uani -0.0184(13) 0.2865(10) 0.1129(6) 1.000 0.041(5) d . . .
C59 C Uani 0.0724(14) 0.3086(10) 0.0777(6) 1.000 0.040(5) d . . .
C60 C Uani 0.1895(15) 0.2692(11) 0.0776(6) 1.000 0.047(6) d . . .
C61 C Uani 0.2211(13) 0.2066(9) 0.1125(5) 1.000 0.037(5) d . . .
C62 C Uani 0.6241(15) 0.3269(12) 0.0467(6) 1.000 0.054(6) d . . .
C63 C Uani 0.5731(13) 0.3329(10) 0.1035(5) 1.000 0.033(5) d . . .
C64 C Uani 0.6174(12) 0.2692(10) 0.1356(6) 1.000 0.036(5) d . . .
C65 C Uani 0.5729(12) 0.2721(9) 0.1875(6) 1.000 0.034(4) d . . .
C66 C Uani 0.6262(14) 0.2024(11) 0.2205(6) 1.000 0.051(6) d . . .
C67 C Uani 0.4747(11) 0.3407(8) 0.2064(5) 1.000 0.023(4) d . . .
C68 C Uani 0.4270(11) 0.4063(9) 0.1755(5) 1.000 0.031(4) d . . .
C69 C Uani 0.3193(13) 0.4793(10) 0.1954(6) 1.000 0.046(6) d . . .
C70 C Uani 0.4795(12) 0.4039(9) 0.1244(5) 1.000 0.032(5) d . . .
C71 C Uani 0.4123(11) 0.3402(9) 0.2599(5) 1.000 0.029(4) d . . .
C72 C Uani 0.4519(12) 0.4086(10) 0.3075(5) 1.000 0.037(5) d . . .
C73 C Uani 0.3948(12) 0.4273(9) 0.3589(5) 1.000 0.026(4) d . . .
C74 C Uani 0.4488(12) 0.5107(9) 0.4044(5) 1.000 0.028(4) d . . .
C75 C Uani 0.5662(12) 0.4988(9) 0.4289(5) 1.000 0.028(4) d . . .
C76 C Uani 0.6421(14) 0.4021(10) 0.4116(6) 1.000 0.048(6) d . . .
C77 C Uani 0.6149(13) 0.5809(10) 0.4679(6) 1.000 0.037(5) d . . .
C78 C Uani 0.5491(14) 0.6731(11) 0.4838(5) 1.000 0.039(5) d . . .
C79 C Uani 0.6052(15) 0.7627(12) 0.5264(6) 1.000 0.060(6) d . . .
C80 C Uani 0.4307(12) 0.6796(10) 0.4605(5) 1.000 0.032(5) d . . .
C81 C Uani 0.3795(11) 0.6010(9) 0.4208(5) 1.000 0.026(4) d . . .
C82 C Uani 0.2502(12) 0.6152(11) 0.3957(6) 1.000 0.046(5) d . . .
H3 H Uiso 0.76420 0.57820 0.36970 1.000 0.0400 c R . .
H4 H Uiso 0.94490 0.47380 0.36310 1.000 0.0620 c R . .
H5 H Uiso 1.04500 0.41930 0.27960 1.000 0.0570 c R . .
H6 H Uiso 0.97700 0.46710 0.20030 1.000 0.0500 c R . .
H10 H Uiso 0.59450 0.66540 0.05430 1.000 0.0410 c R . .
H11 H Uiso 0.75650 0.57980 -0.00280 1.000 0.0530 c R . .
H12 H Uiso 0.92240 0.50810 0.03220 1.000 0.0600 c R . .
H13 H Uiso 0.93460 0.51140 0.12660 1.000 0.0480 c R . .
H14A H Uiso 0.55600 0.63570 0.34630 1.000 0.0330 c R . .
H14B H Uiso 0.48320 0.68710 0.30340 1.000 0.0330 c R . .
H16 H Uiso 0.79230 0.78390 0.34690 1.000 0.0480 c R . .
H17 H Uiso 0.83580 0.94110 0.40650 1.000 0.0510 c R . .
H18 H Uiso 0.67300 1.04020 0.45470 1.000 0.0530 c R . .
H19 H Uiso 0.46410 0.98150 0.43860 1.000 0.0490 c R . .
H20 H Uiso 0.42000 0.82660 0.37820 1.000 0.0380 c R . .
H21A H Uiso 0.04910 1.07240 0.44520 1.000 0.0790 c R . .
H21B H Uiso 0.17650 1.03760 0.47100 1.000 0.0790 c R . .
H21C H Uiso 0.05560 0.96230 0.45900 1.000 0.0790 c R . .
H23 H Uiso 0.04130 0.83920 0.37170 1.000 0.0400 c R . .
H25A H Uiso 0.17080 0.67750 0.26490 1.000 0.0770 c R . .
H25B H Uiso 0.06490 0.73720 0.23860 1.000 0.0770 c R . .
H25C H Uiso 0.03710 0.70280 0.29410 1.000 0.0770 c R . .
H28A H Uiso 0.38990 1.02920 0.25700 1.000 0.0540 c R . .
H28B H Uiso 0.48620 0.98880 0.29700 1.000 0.0540 c R . .
H28C H Uiso 0.41770 1.09700 0.31820 1.000 0.0540 c R . .
H29 H Uiso 0.27070 1.08450 0.38650 1.000 0.0410 c R . .
H31 H Uiso 0.20290 0.87990 0.18470 1.000 0.0340 c R . .
H35A H Uiso 0.02470 0.72880 0.04980 1.000 0.0820 c R . .
H35B H Uiso 0.07650 0.75970 0.11210 1.000 0.0820 c R . .
H35C H Uiso 0.15040 0.67680 0.06680 1.000 0.0820 c R . .
H36 H Uiso 0.06110 0.84850 0.00140 1.000 0.0510 c R . .
H38A H Uiso 0.17510 1.06810 -0.02910 1.000 0.0850 c R . .
H38B H Uiso 0.07770 0.97460 -0.05100 1.000 0.0850 c R . .
H38C H Uiso 0.21810 0.96890 -0.07460 1.000 0.0850 c R . .
H39 H Uiso 0.37540 1.02600 0.02070 1.000 0.0490 c R . .
H41A H Uiso 0.51880 1.03390 0.09590 1.000 0.0710 c R . .
H41B H Uiso 0.55900 0.91700 0.09020 1.000 0.0710 c R . .
H41C H Uiso 0.48190 0.97680 0.14260 1.000 0.0710 c R . .
H44 H Uiso -0.01910 -0.05240 0.13870 1.000 0.0530 c R . .
H45 H Uiso -0.20310 -0.14920 0.15020 1.000 0.0530 c R . .
H46 H Uiso -0.30490 -0.11750 0.23200 1.000 0.0530 c R . .
H47 H Uiso -0.23660 0.01270 0.30690 1.000 0.0500 c R . .
H51 H Uiso 0.12530 0.37300 0.44250 1.000 0.0420 c R . .
H52 H Uiso -0.03220 0.34530 0.50030 1.000 0.0560 c R . .
H53 H Uiso -0.19010 0.22590 0.46990 1.000 0.0560 c R . .
H54 H Uiso -0.19680 0.12780 0.37880 1.000 0.0480 c R . .
H55A H Uiso 0.17830 0.03850 0.15660 1.000 0.0290 c R . .
H55B H Uiso 0.25240 0.12940 0.19900 1.000 0.0290 c R . .
H57 H Uiso -0.05210 0.20810 0.17150 1.000 0.0380 c R . .
H58 H Uiso -0.10070 0.31520 0.11320 1.000 0.0490 c R . .
H59 H Uiso 0.05170 0.35150 0.05380 1.000 0.0480 c R . .
H60 H Uiso 0.25120 0.28430 0.05350 1.000 0.0570 c R . .
H61 H Uiso 0.30480 0.18080 0.11290 1.000 0.0440 c R . .
H62A H Uiso 0.66180 0.39320 0.04580 1.000 0.0810 c R . .
H62B H Uiso 0.55470 0.31000 0.01940 1.000 0.0810 c R . .
H62C H Uiso 0.68890 0.27350 0.03830 1.000 0.0810 c R . .
H64 H Uiso 0.68150 0.22120 0.12120 1.000 0.0430 c R . .
H66A H Uiso 0.68220 0.15230 0.19740 1.000 0.0760 c R . .
H66B H Uiso 0.55680 0.16620 0.23340 1.000 0.0760 c R . .
H66C H Uiso 0.67470 0.24300 0.25220 1.000 0.0760 c R . .
H69A H Uiso 0.24280 0.43980 0.19900 1.000 0.0690 c R . .
H69B H Uiso 0.30270 0.52060 0.16880 1.000 0.0690 c R . .
H69C H Uiso 0.34250 0.52460 0.23120 1.000 0.0690 c R . .
H70 H Uiso 0.45140 0.45080 0.10400 1.000 0.0380 c R . .
H72 H Uiso 0.52610 0.44760 0.30530 1.000 0.0440 c R . .
H76A H Uiso 0.67690 0.39760 0.37510 1.000 0.0720 c R . .
H76B H Uiso 0.58720 0.34240 0.41020 1.000 0.0720 c R . .
H76C H Uiso 0.71180 0.40320 0.43820 1.000 0.0720 c R . .
H77 H Uiso 0.69540 0.57490 0.48450 1.000 0.0450 c R . .
H79A H Uiso 0.66370 0.73730 0.55080 1.000 0.0890 c R . .
H79B H Uiso 0.53700 0.80120 0.54810 1.000 0.0890 c R . .
H79C H Uiso 0.65120 0.80780 0.50800 1.000 0.0890 c R . .
H80 H Uiso 0.38340 0.74080 0.47260 1.000 0.0380 c R . .
H82A H Uiso 0.25510 0.59660 0.35550 1.000 0.0700 c R . .
H82B H Uiso 0.22480 0.68710 0.40830 1.000 0.0700 c R . .
H82C H Uiso 0.18760 0.57100 0.40720 1.000 0.0700 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 89.9(3) . . . yes
O1 Pt1 C1 97.9(4) . . . yes
O1 Pt1 C9 177.5(4) . . . yes
O2 Pt1 C1 172.1(4) . . . yes
O2 Pt1 C9 92.3(4) . . . yes
C1 Pt1 C9 79.9(5) . . . yes
C42 Pt2 C50 79.6(5) . . . yes
O3 Pt2 C42 97.8(4) . . . yes
O3 Pt2 C50 176.2(4) . . . yes
O3 Pt2 O4 90.3(3) . . . yes
O4 Pt2 C50 92.3(4) . . . yes
O4 Pt2 C42 171.9(4) . . . yes
Pt1 O1 C30 124.3(7) . . . yes
Pt1 O2 C32 124.8(7) . . . yes
Pt2 O3 C71 124.6(7) . . . yes
Pt2 O4 C73 124.9(7) . . . yes
C1 N1 C8 115.3(10) . . . yes
C7 N1 C8 134.5(10) . . . yes
C1 N1 C7 110.1(10) . . . yes
C1 N2 C2 108.8(10) . . . yes
C1 N2 C14 126.7(10) . . . yes
C2 N2 C14 124.5(10) . . . yes
C42 N3 C48 111.6(10) . . . yes
C42 N3 C49 115.5(10) . . . yes
C48 N3 C49 132.9(10) . . . yes
C43 N4 C55 125.1(10) . . . yes
C42 N4 C55 124.5(10) . . . yes
C42 N4 C43 110.3(10) . . . yes
Pt1 C1 N2 135.4(9) . . . yes
Pt1 C1 N1 116.8(8) . . . yes
N1 C1 N2 107.8(10) . . . yes
N2 C2 C7 107.6(10) . . . yes
N2 C2 C3 130.0(11) . . . yes
C3 C2 C7 122.4(11) . . . no
C2 C3 C4 117.1(12) . . . no
C3 C4 C5 120.0(14) . . . no
C4 C5 C6 123.8(14) . . . no
C5 C6 C7 115.5(13) . . . no
N1 C7 C6 133.1(12) . . . yes
N1 C7 C2 105.7(10) . . . yes
C2 C7 C6 121.2(12) . . . no
C9 C8 C13 122.8(12) . . . no
N1 C8 C9 112.0(10) . . . yes
N1 C8 C13 125.2(11) . . . yes
Pt1 C9 C8 116.0(9) . . . yes
Pt1 C9 C10 126.5(9) . . . yes
C8 C9 C10 117.5(11) . . . no
C9 C10 C11 119.1(12) . . . no
C10 C11 C12 121.7(14) . . . no
C11 C12 C13 120.9(14) . . . no
C8 C13 C12 117.8(13) . . . no
N2 C14 C15 113.6(10) . . . yes
C16 C15 C20 117.8(12) . . . no
C14 C15 C16 124.2(12) . . . no
C14 C15 C20 117.9(11) . . . no
C15 C16 C17 120.5(12) . . . no
C16 C17 C18 121.2(13) . . . no
C17 C18 C19 118.7(13) . . . no
C18 C19 C20 120.2(13) . . . no
C15 C20 C19 121.7(12) . . . no
C23 C22 C29 119.5(12) . . . no
C21 C22 C29 119.0(12) . . . no
C21 C22 C23 121.5(12) . . . no
C22 C23 C24 121.0(12) . . . no
C23 C24 C26 120.2(12) . . . no
C23 C24 C25 120.3(12) . . . no
C25 C24 C26 119.5(12) . . . no
C27 C26 C30 118.3(10) . . . no
C24 C26 C27 118.9(11) . . . no
C24 C26 C30 122.5(11) . . . no
C28 C27 C29 120.7(11) . . . no
C26 C27 C28 120.2(11) . . . no
C26 C27 C29 119.1(11) . . . no
C22 C29 C27 121.2(12) . . . no
C26 C30 C31 119.1(11) . . . no
O1 C30 C26 113.9(10) . . . yes
O1 C30 C31 127.0(11) . . . yes
C30 C31 C32 127.1(11) . . . no
O2 C32 C33 114.7(10) . . . yes
C31 C32 C33 118.4(11) . . . no
O2 C32 C31 126.7(11) . . . yes
C34 C33 C40 120.2(11) . . . no
C32 C33 C34 122.0(11) . . . no
C32 C33 C40 117.8(10) . . . no
C33 C34 C35 121.6(12) . . . no
C35 C34 C36 119.3(12) . . . no
C33 C34 C36 119.1(12) . . . no
C34 C36 C37 122.6(12) . . . no
C38 C37 C39 120.5(13) . . . no
C36 C37 C38 121.9(13) . . . no
C36 C37 C39 117.6(13) . . . no
C37 C39 C40 122.0(13) . . . no
C33 C40 C41 120.4(11) . . . no
C33 C40 C39 118.4(11) . . . no
C39 C40 C41 121.1(12) . . . no
C4 C3 H3 122.00 . . . no
C2 C3 H3 121.00 . . . no
C3 C4 H4 120.00 . . . no
C5 C4 H4 120.00 . . . no
C6 C5 H5 118.00 . . . no
C4 C5 H5 118.00 . . . no
C5 C6 H6 122.00 . . . no
C7 C6 H6 122.00 . . . no
C9 C10 H10 121.00 . . . no
C11 C10 H10 120.00 . . . no
C12 C11 H11 119.00 . . . no
C10 C11 H11 119.00 . . . no
C13 C12 H12 119.00 . . . no
C11 C12 H12 120.00 . . . no
C8 C13 H13 121.00 . . . no
C12 C13 H13 121.00 . . . no
H14A C14 H14B 108.00 . . . no
C15 C14 H14A 109.00 . . . no
C15 C14 H14B 109.00 . . . no
N2 C14 H14A 109.00 . . . no
N2 C14 H14B 109.00 . . . no
C15 C16 H16 120.00 . . . no
C17 C16 H16 120.00 . . . no
C16 C17 H17 119.00 . . . no
C18 C17 H17 119.00 . . . no
C17 C18 H18 121.00 . . . no
C19 C18 H18 121.00 . . . no
C20 C19 H19 120.00 . . . no
C18 C19 H19 120.00 . . . no
C19 C20 H20 119.00 . . . no
C15 C20 H20 119.00 . . . no
C22 C21 H21C 109.00 . . . no
C22 C21 H21A 110.00 . . . no
C22 C21 H21B 110.00 . . . no
H21B C21 H21C 109.00 . . . no
H21A C21 H21B 109.00 . . . no
H21A C21 H21C 109.00 . . . no
C22 C23 H23 120.00 . . . no
C24 C23 H23 119.00 . . . no
H25B C25 H25C 109.00 . . . no
C24 C25 H25A 109.00 . . . no
C24 C25 H25B 110.00 . . . no
C24 C25 H25C 109.00 . . . no
H25A C25 H25B 109.00 . . . no
H25A C25 H25C 109.00 . . . no
C27 C28 H28A 109.00 . . . no
C27 C28 H28C 109.00 . . . no
H28A C28 H28B 109.00 . . . no
C27 C28 H28B 109.00 . . . no
H28B C28 H28C 109.00 . . . no
H28A C28 H28C 110.00 . . . no
C27 C29 H29 119.00 . . . no
C22 C29 H29 119.00 . . . no
C32 C31 H31 116.00 . . . no
C30 C31 H31 116.00 . . . no
H35A C35 H35C 109.00 . . . no
H35B C35 H35C 110.00 . . . no
C34 C35 H35A 109.00 . . . no
C34 C35 H35B 109.00 . . . no
C34 C35 H35C 109.00 . . . no
H35A C35 H35B 109.00 . . . no
C34 C36 H36 119.00 . . . no
C37 C36 H36 119.00 . . . no
H38B C38 H38C 110.00 . . . no
C37 C38 H38A 109.00 . . . no
C37 C38 H38B 109.00 . . . no
C37 C38 H38C 109.00 . . . no
H38A C38 H38B 110.00 . . . no
H38A C38 H38C 110.00 . . . no
C37 C39 H39 119.00 . . . no
C40 C39 H39 119.00 . . . no
H41B C41 H41C 109.00 . . . no
C40 C41 H41A 109.00 . . . no
C40 C41 H41B 109.00 . . . no
C40 C41 H41C 110.00 . . . no
H41A C41 H41B 109.00 . . . no
H41A C41 H41C 109.00 . . . no
Pt2 C42 N3 117.7(9) . . . yes
Pt2 C42 N4 136.0(9) . . . yes
N3 C42 N4 106.3(10) . . . yes
N4 C43 C44 129.9(13) . . . yes
N4 C43 C48 107.1(11) . . . yes
C44 C43 C48 123.1(12) . . . no
C43 C44 C45 115.1(13) . . . no
C44 C45 C46 121.9(13) . . . no
C45 C46 C47 121.8(13) . . . no
C46 C47 C48 117.7(13) . . . no
N3 C48 C43 104.6(10) . . . yes
N3 C48 C47 134.9(12) . . . yes
C43 C48 C47 120.5(12) . . . no
N3 C49 C50 111.2(11) . . . yes
N3 C49 C54 125.7(12) . . . yes
C50 C49 C54 123.1(13) . . . no
Pt2 C50 C49 116.0(9) . . . yes
Pt2 C50 C51 127.3(9) . . . yes
C49 C50 C51 116.6(12) . . . no
C50 C51 C52 119.8(13) . . . no
C51 C52 C53 121.9(14) . . . no
C52 C53 C54 120.9(14) . . . no
C49 C54 C53 117.6(13) . . . no
N4 C55 C56 114.6(10) . . . yes
C55 C56 C57 123.5(11) . . . no
C55 C56 C61 117.6(11) . . . no
C57 C56 C61 118.9(11) . . . no
C56 C57 C58 119.6(12) . . . no
C57 C58 C59 120.7(13) . . . no
C58 C59 C60 119.9(13) . . . no
C59 C60 C61 120.6(14) . . . no
C56 C61 C60 120.4(13) . . . no
C62 C63 C64 121.6(13) . . . no
C62 C63 C70 119.7(12) . . . no
C64 C63 C70 118.7(12) . . . no
C63 C64 C65 123.3(12) . . . no
C64 C65 C66 120.7(12) . . . no
C64 C65 C67 116.8(12) . . . no
C66 C65 C67 122.5(12) . . . no
C65 C67 C68 121.9(11) . . . no
C65 C67 C71 119.7(11) . . . no
C68 C67 C71 118.3(10) . . . no
C67 C68 C69 122.0(11) . . . no
C67 C68 C70 119.1(11) . . . no
C69 C68 C70 118.9(11) . . . no
C63 C70 C68 120.1(11) . . . no
O3 C71 C67 113.8(10) . . . yes
O3 C71 C72 126.3(11) . . . yes
C67 C71 C72 119.8(11) . . . no
C71 C72 C73 127.1(12) . . . no
O4 C73 C72 126.8(11) . . . yes
O4 C73 C74 115.0(10) . . . yes
C72 C73 C74 118.2(11) . . . no
C73 C74 C75 120.6(11) . . . no
C73 C74 C81 117.8(11) . . . no
C75 C74 C81 121.5(11) . . . no
C74 C75 C76 122.2(11) . . . no
C74 C75 C77 117.9(12) . . . no
C76 C75 C77 119.9(12) . . . no
C75 C77 C78 121.6(13) . . . no
C77 C78 C79 120.7(13) . . . no
C77 C78 C80 118.5(13) . . . no
C79 C78 C80 120.9(13) . . . no
C78 C80 C81 122.0(12) . . . no
C74 C81 C80 118.4(11) . . . no
C74 C81 C82 122.7(11) . . . no
C80 C81 C82 119.0(12) . . . no
C43 C44 H44 122.00 . . . no
C45 C44 H44 122.00 . . . no
C44 C45 H45 119.00 . . . no
C46 C45 H45 119.00 . . . no
C45 C46 H46 119.00 . . . no
C47 C46 H46 119.00 . . . no
C46 C47 H47 121.00 . . . no
C48 C47 H47 121.00 . . . no
C50 C51 H51 120.00 . . . no
C52 C51 H51 120.00 . . . no
C51 C52 H52 119.00 . . . no
C53 C52 H52 119.00 . . . no
C52 C53 H53 120.00 . . . no
C54 C53 H53 119.00 . . . no
C49 C54 H54 121.00 . . . no
C53 C54 H54 121.00 . . . no
N4 C55 H55A 109.00 . . . no
N4 C55 H55B 109.00 . . . no
C56 C55 H55A 109.00 . . . no
C56 C55 H55B 109.00 . . . no
H55A C55 H55B 108.00 . . . no
C56 C57 H57 120.00 . . . no
C58 C57 H57 120.00 . . . no
C57 C58 H58 120.00 . . . no
C59 C58 H58 120.00 . . . no
C58 C59 H59 120.00 . . . no
C60 C59 H59 120.00 . . . no
C59 C60 H60 120.00 . . . no
C61 C60 H60 120.00 . . . no
C56 C61 H61 120.00 . . . no
C60 C61 H61 120.00 . . . no
C63 C62 H62A 109.00 . . . no
C63 C62 H62B 109.00 . . . no
C63 C62 H62C 109.00 . . . no
H62A C62 H62B 110.00 . . . no
H62A C62 H62C 109.00 . . . no
H62B C62 H62C 110.00 . . . no
C63 C64 H64 118.00 . . . no
C65 C64 H64 118.00 . . . no
C65 C66 H66A 109.00 . . . no
C65 C66 H66B 110.00 . . . no
C65 C66 H66C 109.00 . . . no
H66A C66 H66B 109.00 . . . no
H66A C66 H66C 109.00 . . . no
H66B C66 H66C 109.00 . . . no
C68 C69 H69A 109.00 . . . no
C68 C69 H69B 109.00 . . . no
C68 C69 H69C 110.00 . . . no
H69A C69 H69B 109.00 . . . no
H69A C69 H69C 109.00 . . . no
H69B C69 H69C 109.00 . . . no
C63 C70 H70 120.00 . . . no
C68 C70 H70 120.00 . . . no
C71 C72 H72 116.00 . . . no
C73 C72 H72 116.00 . . . no
C75 C76 H76A 109.00 . . . no
C75 C76 H76B 110.00 . . . no
C75 C76 H76C 110.00 . . . no
H76A C76 H76B 110.00 . . . no
H76A C76 H76C 109.00 . . . no
H76B C76 H76C 109.00 . . . no
C75 C77 H77 119.00 . . . no
C78 C77 H77 119.00 . . . no
C78 C79 H79A 109.00 . . . no
C78 C79 H79B 109.00 . . . no
C78 C79 H79C 109.00 . . . no
H79A C79 H79B 109.00 . . . no
H79A C79 H79C 109.00 . . . no
H79B C79 H79C 109.00 . . . no
C78 C80 H80 119.00 . . . no
C81 C80 H80 119.00 . . . no
C81 C82 H82A 109.00 . . . no
C81 C82 H82B 109.00 . . . no
C81 C82 H82C 109.00 . . . no
H82A C82 H82B 110.00 . . . no
H82A C82 H82C 109.00 . . . no
H82B C82 H82C 109.00 . . . 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 2.074(8) . . yes
Pt1 O2 2.062(8) . . yes
Pt1 C1 1.950(12) . . yes
Pt1 C9 1.983(12) . . yes
Pt2 O4 2.041(8) . . yes
Pt2 C42 1.939(12) . . yes
Pt2 O3 2.099(8) . . yes
Pt2 C50 2.004(12) . . yes
O1 C30 1.289(15) . . yes
O2 C32 1.285(15) . . yes
O3 C71 1.284(15) . . yes
O4 C73 1.292(15) . . yes
N1 C8 1.411(16) . . yes
N1 C1 1.371(15) . . yes
N1 C7 1.391(15) . . yes
N2 C14 1.463(15) . . yes
N2 C1 1.346(16) . . yes
N2 C2 1.410(15) . . yes
N3 C42 1.365(15) . . yes
N3 C48 1.394(16) . . yes
N3 C49 1.425(18) . . yes
N4 C42 1.354(16) . . yes
N4 C43 1.395(16) . . yes
N4 C55 1.456(15) . . yes
C2 C3 1.378(17) . . no
C2 C7 1.393(17) . . no
C3 C4 1.38(2) . . no
C4 C5 1.39(2) . . no
C5 C6 1.38(2) . . no
C6 C7 1.392(18) . . no
C8 C9 1.405(17) . . no
C8 C13 1.385(18) . . no
C9 C10 1.391(17) . . no
C10 C11 1.42(2) . . no
C11 C12 1.33(2) . . no
C12 C13 1.40(2) . . no
C14 C15 1.504(18) . . no
C15 C20 1.406(18) . . no
C15 C16 1.373(18) . . no
C16 C17 1.37(2) . . no
C17 C18 1.39(2) . . no
C18 C19 1.37(2) . . no
C19 C20 1.357(19) . . no
C21 C22 1.534(19) . . no
C22 C23 1.371(19) . . no
C22 C29 1.382(18) . . no
C23 C24 1.38(2) . . no
C24 C26 1.411(18) . . no
C24 C25 1.509(19) . . no
C26 C27 1.402(17) . . no
C26 C30 1.508(17) . . no
C27 C28 1.517(18) . . no
C27 C29 1.397(19) . . no
C30 C31 1.363(17) . . no
C31 C32 1.377(17) . . no
C32 C33 1.485(17) . . no
C33 C34 1.367(17) . . no
C33 C40 1.438(18) . . no
C34 C35 1.50(2) . . no
C34 C36 1.377(19) . . no
C36 C37 1.40(2) . . no
C37 C39 1.38(2) . . no
C37 C38 1.51(2) . . no
C39 C40 1.382(19) . . no
C40 C41 1.513(18) . . 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
C14 H14B 0.9900 . . no
C14 H14A 0.9900 . . 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 H21C 0.9800 . . no
C21 H21A 0.9800 . . no
C21 H21B 0.9800 . . no
C23 H23 0.9500 . . no
C25 H25C 0.9800 . . no
C25 H25B 0.9800 . . no
C25 H25A 0.9800 . . no
C28 H28A 0.9800 . . no
C28 H28B 0.9800 . . no
C28 H28C 0.9800 . . no
C29 H29 0.9500 . . no
C31 H31 0.9500 . . no
C35 H35B 0.9800 . . no
C35 H35C 0.9800 . . no
C35 H35A 0.9800 . . no
C36 H36 0.9500 . . no
C38 H38A 0.9800 . . no
C38 H38B 0.9800 . . no
C38 H38C 0.9800 . . no
C39 H39 0.9500 . . no
C41 H41B 0.9800 . . no
C41 H41C 0.9800 . . no
C41 H41A 0.9800 . . no
C43 C44 1.34(2) . . no
C43 C48 1.414(19) . . no
C44 C45 1.42(2) . . no
C45 C46 1.36(2) . . no
C46 C47 1.38(2) . . no
C47 C48 1.351(18) . . no
C49 C50 1.410(18) . . no
C49 C54 1.385(19) . . no
C50 C51 1.406(19) . . no
C51 C52 1.37(2) . . no
C52 C53 1.36(2) . . no
C53 C54 1.38(2) . . no
C55 C56 1.510(17) . . no
C56 C57 1.383(18) . . no
C56 C61 1.403(18) . . no
C57 C58 1.394(19) . . no
C58 C59 1.39(2) . . no
C59 C60 1.35(2) . . no
C60 C61 1.39(2) . . no
C62 C63 1.515(19) . . no
C63 C64 1.387(19) . . no
C63 C70 1.394(18) . . no
C64 C65 1.38(2) . . no
C65 C66 1.50(2) . . no
C65 C67 1.400(17) . . no
C67 C68 1.397(17) . . no
C67 C71 1.507(17) . . no
C68 C69 1.514(18) . . no
C68 C70 1.398(17) . . no
C71 C72 1.372(17) . . no
C72 C73 1.399(17) . . no
C73 C74 1.491(17) . . no
C74 C75 1.398(18) . . no
C74 C81 1.396(17) . . no
C75 C76 1.504(19) . . no
C75 C77 1.372(19) . . no
C77 C78 1.40(2) . . no
C78 C79 1.51(2) . . no
C78 C80 1.380(19) . . no
C80 C81 1.362(18) . . no
C81 C82 1.523(18) . . no
C44 H44 0.9500 . . no
C45 H45 0.9500 . . no
C46 H46 0.9500 . . no
C47 H47 0.9500 . . no
C51 H51 0.9500 . . no
C52 H52 0.9500 . . no
C53 H53 0.9500 . . no
C54 H54 0.9500 . . no
C55 H55A 0.9900 . . no
C55 H55B 0.9900 . . no
C57 H57 0.9500 . . no
C58 H58 0.9500 . . no
C59 H59 0.9500 . . no
C60 H60 0.9500 . . no
C61 H61 0.9500 . . no
C62 H62A 0.9800 . . no
C62 H62B 0.9800 . . no
C62 H62C 0.9800 . . no
C64 H64 0.9500 . . no
C66 H66A 0.9800 . . no
C66 H66B 0.9800 . . no
C66 H66C 0.9800 . . no
C69 H69A 0.9800 . . no
C69 H69B 0.9800 . . no
C69 H69C 0.9800 . . no
C70 H70 0.9500 . . no
C72 H72 0.9500 . . no
C76 H76A 0.9800 . . no
C76 H76B 0.9800 . . no
C76 H76C 0.9800 . . no
C77 H77 0.9500 . . no
C79 H79A 0.9800 . . no
C79 H79B 0.9800 . . no
C79 H79C 0.9800 . . no
C80 H80 0.9500 . . no
C82 H82A 0.9800 . . no
C82 H82B 0.9800 . . no
C82 H82C 0.9800 . . 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 2.5200 3.042(15) 114.00 . yes
C14 H14B O1 0.9900 2.2500 3.016(14) 133.00 . yes
C51 H51 O4 0.9500 2.5800 3.082(16) 113.00 . yes
C55 H55B O3 0.9900 2.2300 2.977(15) 131.00 . yes
C57 H57 N4 0.9500 2.5800 2.899(16) 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 C30 -1.3(9) . . . . no
C1 Pt1 O1 C30 177.4(9) . . . . no
O1 Pt1 O2 C32 0.6(9) . . . . no
C9 Pt1 O2 C32 -178.2(10) . . . . no
O1 Pt1 C1 N1 -177.8(9) . . . . no
O1 Pt1 C1 N2 3.3(13) . . . . no
C9 Pt1 C1 N1 1.1(9) . . . . no
C9 Pt1 C1 N2 -177.8(14) . . . . no
O2 Pt1 C9 C8 176.5(9) . . . . no
O2 Pt1 C9 C10 -1.8(11) . . . . no
C1 Pt1 C9 C8 -2.4(9) . . . . no
C1 Pt1 C9 C10 179.3(12) . . . . no
C50 Pt2 C42 N4 -179.5(14) . . . . no
O4 Pt2 C50 C49 -179.9(10) . . . . no
O4 Pt2 C50 C51 2.9(12) . . . . no
C42 Pt2 C50 C49 -1.2(10) . . . . no
C42 Pt2 C50 C51 -178.3(13) . . . . no
O3 Pt2 C42 N3 -176.5(9) . . . . no
O3 Pt2 C42 N4 3.3(13) . . . . no
C50 Pt2 C42 N3 0.7(9) . . . . no
O4 Pt2 O3 C71 -1.9(9) . . . . no
C42 Pt2 O3 C71 179.0(9) . . . . no
O3 Pt2 O4 C73 1.5(9) . . . . no
C50 Pt2 O4 C73 -175.8(10) . . . . no
Pt1 O1 C30 C26 -174.5(7) . . . . no
Pt1 O1 C30 C31 4.4(17) . . . . no
Pt1 O2 C32 C31 -2.8(18) . . . . no
Pt1 O2 C32 C33 171.6(7) . . . . no
Pt2 O3 C71 C72 3.0(17) . . . . no
Pt2 O3 C71 C67 -172.0(7) . . . . no
Pt2 O4 C73 C72 -2.2(18) . . . . no
Pt2 O4 C73 C74 176.5(8) . . . . no
C7 N1 C1 Pt1 -177.9(8) . . . . no
C8 N1 C1 Pt1 0.3(13) . . . . no
C8 N1 C1 N2 179.5(10) . . . . no
C7 N1 C1 N2 1.3(13) . . . . no
C1 N1 C7 C2 -0.9(13) . . . . no
C1 N1 C7 C6 176.8(14) . . . . no
C8 N1 C7 C2 -178.6(12) . . . . no
C8 N1 C7 C6 -1(2) . . . . no
C1 N1 C8 C9 -2.2(14) . . . . no
C1 N1 C8 C13 177.6(12) . . . . no
C7 N1 C8 C9 175.4(12) . . . . no
C7 N1 C8 C13 -5(2) . . . . no
C2 N2 C1 Pt1 177.8(10) . . . . no
C2 N2 C1 N1 -1.2(13) . . . . no
C14 N2 C1 Pt1 1(2) . . . . no
C14 N2 C1 N1 -178.1(10) . . . . no
C1 N2 C2 C3 -178.6(13) . . . . no
C1 N2 C2 C7 0.7(13) . . . . no
C14 N2 C2 C3 -2(2) . . . . no
C1 N2 C14 C15 -96.0(14) . . . . no
C2 N2 C14 C15 87.6(14) . . . . no
C14 N2 C2 C7 177.6(10) . . . . no
C49 N3 C42 N4 180.0(10) . . . . no
C42 N3 C48 C43 -2.0(14) . . . . no
C49 N3 C42 Pt2 -0.2(14) . . . . no
C49 N3 C48 C43 -179.3(13) . . . . no
C49 N3 C48 C47 2(2) . . . . no
C42 N3 C48 C47 179.2(14) . . . . no
C42 N3 C49 C54 178.9(13) . . . . no
C48 N3 C49 C50 176.4(12) . . . . no
C48 N3 C49 C54 -4(2) . . . . no
C42 N3 C49 C50 -0.8(16) . . . . no
C48 N3 C42 Pt2 -177.9(8) . . . . no
C48 N3 C42 N4 2.2(14) . . . . no
C43 N4 C42 Pt2 178.7(10) . . . . no
C43 N4 C42 N3 -1.5(13) . . . . no
C55 N4 C42 Pt2 -3.1(19) . . . . no
C42 N4 C43 C48 0.3(14) . . . . no
C55 N4 C43 C44 2(2) . . . . no
C55 N4 C43 C48 -178.0(11) . . . . no
C42 N4 C55 C56 -89.2(14) . . . . no
C43 N4 C55 C56 88.8(14) . . . . no
C55 N4 C42 N3 176.7(10) . . . . no
C42 N4 C43 C44 -179.7(14) . . . . no
C3 C2 C7 C6 1.5(19) . . . . no
N2 C2 C3 C4 177.9(13) . . . . no
C7 C2 C3 C4 -1.3(19) . . . . no
N2 C2 C7 N1 0.1(13) . . . . no
N2 C2 C7 C6 -177.9(11) . . . . no
C3 C2 C7 N1 179.4(11) . . . . no
C2 C3 C4 C5 0(2) . . . . no
C3 C4 C5 C6 1(2) . . . . no
C4 C5 C6 C7 -1(2) . . . . no
C5 C6 C7 N1 -177.7(13) . . . . no
C5 C6 C7 C2 -0.3(19) . . . . no
N1 C8 C9 Pt1 3.2(13) . . . . no
N1 C8 C9 C10 -178.4(10) . . . . no
C13 C8 C9 Pt1 -176.7(10) . . . . no
C13 C8 C9 C10 1.8(18) . . . . no
N1 C8 C13 C12 177.6(12) . . . . no
C9 C8 C13 C12 -2.6(19) . . . . no
Pt1 C9 C10 C11 178.9(10) . . . . no
C8 C9 C10 C11 0.6(18) . . . . no
C9 C10 C11 C12 -2(2) . . . . no
C10 C11 C12 C13 1(2) . . . . no
C11 C12 C13 C8 1(2) . . . . no
N2 C14 C15 C16 -25.5(18) . . . . no
N2 C14 C15 C20 159.3(11) . . . . no
C14 C15 C16 C17 -174.6(13) . . . . no
C16 C15 C20 C19 -1(2) . . . . no
C20 C15 C16 C17 1(2) . . . . no
C14 C15 C20 C19 174.2(12) . . . . no
C15 C16 C17 C18 1(2) . . . . no
C16 C17 C18 C19 -2(2) . . . . no
C17 C18 C19 C20 1(2) . . . . no
C18 C19 C20 C15 1(2) . . . . no
C23 C22 C29 C27 -4.3(19) . . . . no
C21 C22 C29 C27 174.0(12) . . . . no
C21 C22 C23 C24 -176.3(12) . . . . no
C29 C22 C23 C24 2(2) . . . . no
C22 C23 C24 C25 -178.4(12) . . . . no
C22 C23 C24 C26 1(2) . . . . no
C23 C24 C26 C30 172.0(12) . . . . no
C23 C24 C26 C27 -0.9(19) . . . . no
C25 C24 C26 C27 178.1(11) . . . . no
C25 C24 C26 C30 -9.0(18) . . . . no
C24 C26 C27 C29 -1.4(18) . . . . no
C24 C26 C27 C28 177.5(11) . . . . no
C27 C26 C30 C31 -92.7(14) . . . . no
C30 C26 C27 C29 -174.5(11) . . . . no
C24 C26 C30 O1 -86.7(14) . . . . no
C30 C26 C27 C28 4.3(17) . . . . no
C27 C26 C30 O1 86.3(14) . . . . no
C24 C26 C30 C31 94.4(15) . . . . no
C28 C27 C29 C22 -174.9(12) . . . . no
C26 C27 C29 C22 4.0(19) . . . . no
C26 C30 C31 C32 172.0(12) . . . . no
O1 C30 C31 C32 -7(2) . . . . no
C30 C31 C32 O2 6(2) . . . . no
C30 C31 C32 C33 -168.3(12) . . . . no
O2 C32 C33 C34 110.9(14) . . . . no
O2 C32 C33 C40 -68.1(15) . . . . no
C31 C32 C33 C34 -74.2(16) . . . . no
C31 C32 C33 C40 106.8(14) . . . . no
C32 C33 C34 C35 -3.5(19) . . . . no
C34 C33 C40 C41 179.7(12) . . . . no
C32 C33 C34 C36 178.2(12) . . . . no
C40 C33 C34 C35 175.5(12) . . . . no
C40 C33 C34 C36 -2.8(19) . . . . no
C32 C33 C40 C39 -178.4(12) . . . . no
C32 C33 C40 C41 -1.3(18) . . . . no
C34 C33 C40 C39 2.6(19) . . . . no
C33 C34 C36 C37 2(2) . . . . no
C35 C34 C36 C37 -176.2(13) . . . . no
C34 C36 C37 C38 -179.3(13) . . . . no
C34 C36 C37 C39 -1(2) . . . . no
C36 C37 C39 C40 1(2) . . . . no
C38 C37 C39 C40 179.2(13) . . . . no
C37 C39 C40 C33 -2(2) . . . . no
C37 C39 C40 C41 -178.8(13) . . . . no
N4 C43 C44 C45 179.2(13) . . . . no
C48 C43 C44 C45 -1(2) . . . . no
N4 C43 C48 N3 1.0(13) . . . . no
N4 C43 C48 C47 180.0(12) . . . . no
C44 C43 C48 N3 -179.0(12) . . . . no
C44 C43 C48 C47 0(2) . . . . no
C43 C44 C45 C46 1(2) . . . . no
C44 C45 C46 C47 1(2) . . . . no
C45 C46 C47 C48 -2(2) . . . . no
C46 C47 C48 N3 179.8(14) . . . . no
C46 C47 C48 C43 1.2(19) . . . . no
N3 C49 C50 Pt2 1.4(14) . . . . no
N3 C49 C50 C51 178.9(11) . . . . no
C54 C49 C50 Pt2 -178.3(11) . . . . no
C54 C49 C50 C51 -1(2) . . . . no
N3 C49 C54 C53 178.8(13) . . . . no
C50 C49 C54 C53 -2(2) . . . . no
Pt2 C50 C51 C52 179.9(11) . . . . no
C49 C50 C51 C52 2.8(19) . . . . no
C50 C51 C52 C53 -2(2) . . . . no
C51 C52 C53 C54 0(2) . . . . no
C52 C53 C54 C49 2(2) . . . . no
N4 C55 C56 C57 -12.9(17) . . . . no
N4 C55 C56 C61 168.3(11) . . . . no
C55 C56 C57 C58 -177.1(12) . . . . no
C61 C56 C57 C58 1.7(19) . . . . no
C55 C56 C61 C60 176.3(12) . . . . no
C57 C56 C61 C60 -2.6(19) . . . . no
C56 C57 C58 C59 0(2) . . . . no
C57 C58 C59 C60 -1(2) . . . . no
C58 C59 C60 C61 0(2) . . . . no
C59 C60 C61 C56 2(2) . . . . no
C62 C63 C64 C65 -179.7(13) . . . . no
C70 C63 C64 C65 0(2) . . . . no
C62 C63 C70 C68 176.6(12) . . . . no
C64 C63 C70 C68 -3.5(19) . . . . no
C63 C64 C65 C66 -179.0(13) . . . . no
C63 C64 C65 C67 3(2) . . . . no
C64 C65 C67 C68 -2.5(18) . . . . no
C64 C65 C67 C71 173.6(11) . . . . no
C66 C65 C67 C68 179.1(12) . . . . no
C66 C65 C67 C71 -4.7(19) . . . . no
C65 C67 C68 C69 178.9(12) . . . . no
C65 C67 C68 C70 -0.5(18) . . . . no
C71 C67 C68 C69 2.7(17) . . . . no
C71 C67 C68 C70 -176.7(11) . . . . no
C65 C67 C71 O3 -88.6(14) . . . . no
C65 C67 C71 C72 96.1(15) . . . . no
C68 C67 C71 O3 87.8(14) . . . . no
C68 C67 C71 C72 -87.6(15) . . . . no
C67 C68 C70 C63 3.6(18) . . . . no
C69 C68 C70 C63 -175.9(12) . . . . no
O3 C71 C72 C73 -3(2) . . . . no
C67 C71 C72 C73 171.4(12) . . . . no
C71 C72 C73 O4 3(2) . . . . no
C71 C72 C73 C74 -175.8(12) . . . . no
O4 C73 C74 C75 110.1(13) . . . . no
O4 C73 C74 C81 -71.1(15) . . . . no
C72 C73 C74 C75 -71.2(16) . . . . no
C72 C73 C74 C81 107.7(14) . . . . no
C73 C74 C75 C76 -1.0(19) . . . . no
C73 C74 C75 C77 175.6(12) . . . . no
C81 C74 C75 C76 -179.9(12) . . . . no
C81 C74 C75 C77 -3.3(19) . . . . no
C73 C74 C81 C80 -176.9(11) . . . . no
C73 C74 C81 C82 2.5(18) . . . . no
C75 C74 C81 C80 2.0(19) . . . . no
C75 C74 C81 C82 -178.7(12) . . . . no
C74 C75 C77 C78 1(2) . . . . no
C76 C75 C77 C78 178.0(13) . . . . no
C75 C77 C78 C79 -179.4(13) . . . . no
C75 C77 C78 C80 2(2) . . . . no
C77 C78 C80 C81 -3(2) . . . . no
C79 C78 C80 C81 178.0(13) . . . . no
C78 C80 C81 C74 1.4(19) . . . . no
C78 C80 C81 C82 -178.0(12) . . . . no
