#------------------------------------------------------------------------------
#$Date: 2021-07-13 13:10:56 +0300 (Tue, 13 Jul 2021) $
#$Revision: 267512 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/41/1564142.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_1564142
loop_
_publ_author_name
'Berti, Beatrice'
'Bortoluzzi, Marco'
'Ceriotti, Alessandro'
'Cesari, Cristiana'
'Femoni, Cristina'
'Carmela Iapalucci, Maria'
'Zacchini, Stefano'
_publ_section_title
;
 Further insights into platinum carbonyl Chini clusters
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119904
_journal_paper_doi               10.1016/j.ica.2020.119904
_journal_volume                  512
_journal_year                    2020
_chemical_formula_sum            'C118 H117 N13 O Pt9'
_chemical_formula_weight         3489.05
_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                101.111(6)
_cell_angle_beta                 92.914(6)
_cell_angle_gamma                117.372(5)
_cell_formula_units_Z            2
_cell_length_a                   14.907(3)
_cell_length_b                   15.808(3)
_cell_length_c                   27.254(5)
_cell_measurement_reflns_used    9526
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.481
_cell_measurement_theta_min      2.362
_cell_volume                     5524.3(19)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1218
_diffrn_reflns_av_unetI/netI     0.0983
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            82444
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.559
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    11.401
_exptl_absorpt_correction_T_max  0.0943
_exptl_absorpt_correction_T_min  0.0284
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1817 (selected reflections only, before parameter refinement)
 R(int) = 0.0950 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_description       plate
_exptl_crystal_F_000             3252
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.110
_refine_diff_density_max         4.960
_refine_diff_density_min         -6.637
_refine_diff_density_rms         0.575
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.265
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         18730
_refine_ls_number_restraints     1063
_refine_ls_restrained_S_all      1.231
_refine_ls_R_factor_all          0.1949
_refine_ls_R_factor_gt           0.1534
_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)+2191.4321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3457
_refine_ls_wR_factor_ref         0.3708
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13623
_reflns_number_total             18730
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            6.cif
_cod_data_source_block           6
_cod_original_cell_volume        5524.3(18)
_cod_database_code               1564142
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.188
_shelx_estimated_absorpt_t_max   0.367
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 0.53327(14) 0.74982(13) 0.25152(7) 0.0202(4) Uani 1 1 d . . . . .
Pt2 Pt 0.73188(14) 0.84252(14) 0.29336(8) 0.0274(5) Uani 1 1 d . . . . .
Pt3 Pt 0.66621(16) 0.68424(14) 0.21342(9) 0.0370(6) Uani 1 1 d . . . . .
Pt4 Pt 0.47373(15) 0.55132(14) 0.21101(8) 0.0279(5) Uani 1 1 d . . . . .
Pt5 Pt 0.39507(14) 0.61887(13) 0.29099(7) 0.0231(4) Uani 1 1 d . . . . .
Pt6 Pt 0.56996(15) 0.79308(14) 0.35482(7) 0.0253(4) Uani 1 1 d . . . . .
Pt7 Pt 0.59790(14) 0.64586(13) 0.30699(8) 0.0255(4) Uani 1 1 d . . . . .
Pt8 Pt 0.67265(15) 0.87876(14) 0.20673(8) 0.0295(5) Uani 1 1 d . . . . .
Pt9 Pt 0.33740(14) 0.64821(14) 0.20176(8) 0.0262(4) Uani 1 1 d . . . . .
C1 C 0.600(5) 0.693(5) 0.385(2) 0.048(12) Uani 1 1 d . U . . .
O1 O 0.615(4) 0.674(3) 0.4181(16) 0.058(10) Uani 1 1 d . U . . .
N1 N 0.468(4) 0.766(4) 0.161(2) 0.056(8) Uani 1 1 d . U . . .
C11 C 0.520(5) 0.776(5) 0.194(3) 0.057(9) Uani 1 1 d . U . . .
C12 C 0.451(4) 0.782(3) 0.1125(12) 0.061(7) Uani 1 1 d G U . . .
C13 C 0.444(4) 0.864(3) 0.1074(13) 0.061(8) Uani 1 1 d DG U . . .
C14 C 0.424(4) 0.876(3) 0.0595(16) 0.062(8) Uani 1 1 d G U . . .
H14 H 0.4184 0.9321 0.0560 0.074 Uiso 1 1 calc R U . . .
C15 C 0.411(4) 0.805(3) 0.0167(12) 0.063(9) Uani 1 1 d G U . . .
H15 H 0.3976 0.8129 -0.0161 0.075 Uiso 1 1 calc R U . . .
C16 C 0.419(4) 0.723(3) 0.0218(13) 0.064(8) Uani 1 1 d G U . . .
H16 H 0.4105 0.6743 -0.0075 0.077 Uiso 1 1 calc R U . . .
C17 C 0.439(4) 0.711(3) 0.0697(16) 0.064(8) Uani 1 1 d DG U . . .
C18 C 0.454(6) 0.938(4) 0.1546(18) 0.061(12) Uani 1 1 d D U . . .
H18A H 0.4471 0.9918 0.1450 0.091 Uiso 1 1 calc R U . . .
H18B H 0.4008 0.9062 0.1744 0.091 Uiso 1 1 calc R U . . .
H18C H 0.5216 0.9648 0.1750 0.091 Uiso 1 1 calc R U . . .
C19 C 0.448(6) 0.621(4) 0.074(3) 0.069(13) Uani 1 1 d D U . . .
H19A H 0.4620 0.6228 0.1095 0.103 Uiso 1 1 calc R U . . .
H19B H 0.3836 0.5621 0.0577 0.103 Uiso 1 1 calc R U . . .
H19C H 0.5039 0.6205 0.0566 0.103 Uiso 1 1 calc R U . . .
N2 N 0.139(4) 0.599(4) 0.133(2) 0.048(7) Uani 1 1 d . U . . .
C21 C 0.213(4) 0.617(4) 0.157(2) 0.043(8) Uani 1 1 d . U . . .
C22 C 0.049(2) 0.583(3) 0.1121(16) 0.051(7) Uani 1 1 d G U . . .
C23 C 0.039(2) 0.602(3) 0.0649(16) 0.056(8) Uani 1 1 d DG U . . .
C24 C -0.056(3) 0.581(3) 0.0414(13) 0.058(8) Uani 1 1 d G U . . .
H24 H -0.0626 0.5941 0.0091 0.070 Uiso 1 1 calc R U . . .
C25 C -0.141(2) 0.541(3) 0.0649(15) 0.058(8) Uani 1 1 d G U . . .
H25 H -0.2064 0.5271 0.0488 0.070 Uiso 1 1 calc R U . . .
C26 C -0.131(2) 0.522(3) 0.1121(15) 0.056(8) Uani 1 1 d G U . . .
H26 H -0.1898 0.4952 0.1282 0.067 Uiso 1 1 calc R U . . .
C27 C -0.036(3) 0.543(3) 0.1357(13) 0.055(8) Uani 1 1 d DG U . . .
C28 C 0.135(3) 0.647(5) 0.041(3) 0.059(12) Uani 1 1 d D U . . .
H28A H 0.1937 0.6563 0.0636 0.089 Uiso 1 1 calc R U . . .
H28B H 0.1263 0.6041 0.0084 0.089 Uiso 1 1 calc R U . . .
H28C H 0.1464 0.7113 0.0365 0.089 Uiso 1 1 calc R U . . .
C29 C -0.003(4) 0.532(5) 0.1861(16) 0.068(13) Uani 1 1 d D U . . .
H29A H 0.0709 0.5544 0.1905 0.102 Uiso 1 1 calc R U . . .
H29B H -0.0177 0.5719 0.2133 0.102 Uiso 1 1 calc DR U . . .
H29C H -0.0398 0.4630 0.1872 0.102 Uiso 1 1 calc DR U . . .
N3 N 0.292(4) 0.356(3) 0.1581(19) 0.045(7) Uani 1 1 d . U . . .
C31 C 0.357(5) 0.426(4) 0.179(2) 0.043(8) Uani 1 1 d . U . . .
C32 C 0.203(2) 0.270(2) 0.1348(16) 0.050(7) Uani 1 1 d G U . . .
C33 C 0.126(3) 0.276(2) 0.1074(17) 0.054(7) Uani 1 1 d DG U . . .
C34 C 0.035(3) 0.192(3) 0.0850(16) 0.056(8) Uani 1 1 d G U . . .
H34 H -0.0175 0.1959 0.0663 0.067 Uiso 1 1 calc R U . . .
C35 C 0.021(2) 0.101(2) 0.0902(17) 0.058(8) Uani 1 1 d G U . . .
H35 H -0.0407 0.0430 0.0749 0.069 Uiso 1 1 calc R U . . .
C36 C 0.099(3) 0.095(2) 0.1176(17) 0.056(8) Uani 1 1 d G U . . .
H36 H 0.0891 0.0328 0.1211 0.068 Uiso 1 1 calc R U . . .
C37 C 0.189(3) 0.180(3) 0.1400(16) 0.055(7) Uani 1 1 d DG U . . .
C38 C 0.138(5) 0.373(3) 0.099(3) 0.063(13) Uani 1 1 d D U . . .
H38A H 0.2049 0.4263 0.1168 0.095 Uiso 1 1 calc R U . . .
H38B H 0.1330 0.3700 0.0628 0.095 Uiso 1 1 calc R U . . .
H38C H 0.0838 0.3845 0.1125 0.095 Uiso 1 1 calc R U . . .
C39 C 0.275(3) 0.178(4) 0.171(2) 0.058(12) Uani 1 1 d D U . . .
H39A H 0.3321 0.2451 0.1833 0.086 Uiso 1 1 calc R U . . .
H39B H 0.2506 0.1509 0.2001 0.086 Uiso 1 1 calc DR U . . .
H39C H 0.2992 0.1372 0.1501 0.086 Uiso 1 1 calc R U . . .
N4 N 0.608(4) 0.483(3) 0.1544(19) 0.044(7) Uani 1 1 d . U . . .
C41 C 0.591(4) 0.544(4) 0.180(2) 0.042(8) Uani 1 1 d . U . . .
C42 C 0.552(3) 0.3826(19) 0.1354(14) 0.046(7) Uani 1 1 d G U . . .
C43 C 0.480(3) 0.345(2) 0.0917(14) 0.050(7) Uani 1 1 d DG U . . .
C44 C 0.429(3) 0.244(3) 0.0703(12) 0.054(8) Uani 1 1 d G U . . .
H44 H 0.3797 0.2181 0.0404 0.065 Uiso 1 1 calc R U . . .
C45 C 0.449(3) 0.1814(19) 0.0927(14) 0.056(8) Uani 1 1 d G U . . .
H45 H 0.4139 0.1127 0.0781 0.067 Uiso 1 1 calc R U . . .
C46 C 0.521(3) 0.219(2) 0.1365(14) 0.053(8) Uani 1 1 d G U . . .
H46 H 0.5348 0.1767 0.1518 0.064 Uiso 1 1 calc R U . . .
C47 C 0.573(3) 0.320(3) 0.1578(12) 0.050(7) Uani 1 1 d DG U . . .
C48 C 0.461(5) 0.413(4) 0.066(2) 0.059(12) Uani 1 1 d D U . . .
H48A H 0.5032 0.4809 0.0862 0.089 Uiso 1 1 calc R U . . .
H48B H 0.4786 0.4068 0.0321 0.089 Uiso 1 1 calc R U . . .
H48C H 0.3885 0.3957 0.0642 0.089 Uiso 1 1 calc R U . . .
C49 C 0.646(4) 0.362(4) 0.2068(16) 0.056(12) Uani 1 1 d D U . . .
H49A H 0.6754 0.4335 0.2161 0.084 Uiso 1 1 calc R U . . .
H49B H 0.6102 0.3344 0.2336 0.084 Uiso 1 1 calc R U . . .
H49C H 0.7016 0.3450 0.2025 0.084 Uiso 1 1 calc R U . . .
N5 N 0.686(4) 0.510(4) 0.325(2) 0.051(7) Uani 1 1 d . U . . .
C51 C 0.649(4) 0.559(4) 0.316(3) 0.048(9) Uani 1 1 d . U . . .
C52 C 0.744(3) 0.471(3) 0.3288(18) 0.054(7) Uani 1 1 d G U . . .
C53 C 0.713(2) 0.390(3) 0.3496(18) 0.056(8) Uani 1 1 d DG U . . .
C54 C 0.774(3) 0.344(3) 0.3505(18) 0.060(8) Uani 1 1 d G U . . .
H54 H 0.7526 0.2886 0.3647 0.072 Uiso 1 1 calc R U . . .
C55 C 0.864(3) 0.379(3) 0.3305(18) 0.060(8) Uani 1 1 d G U . . .
H55 H 0.9052 0.3474 0.3310 0.072 Uiso 1 1 calc R U . . .
C56 C 0.895(3) 0.460(3) 0.3096(18) 0.063(8) Uani 1 1 d G U . . .
H56 H 0.9566 0.4834 0.2960 0.075 Uiso 1 1 calc R U . . .
C57 C 0.835(3) 0.505(3) 0.3088(18) 0.060(8) Uani 1 1 d DG U . . .
C58 C 0.612(3) 0.351(4) 0.369(3) 0.056(11) Uani 1 1 d D U . . .
H58A H 0.5815 0.3930 0.3650 0.084 Uiso 1 1 calc R U . . .
H58B H 0.5664 0.2839 0.3489 0.084 Uiso 1 1 calc R U . . .
H58C H 0.6232 0.3512 0.4045 0.084 Uiso 1 1 calc R U . . .
C59 C 0.867(5) 0.601(3) 0.293(3) 0.075(14) Uani 1 1 d D U . . .
H59A H 0.8129 0.6188 0.2958 0.113 Uiso 1 1 calc R U . . .
H59B H 0.9298 0.6523 0.3161 0.113 Uiso 1 1 calc R U . . .
H59C H 0.8811 0.5928 0.2586 0.113 Uiso 1 1 calc R U . . .
N6 N 0.618(3) 0.949(3) 0.4523(17) 0.035(6) Uani 1 1 d . U . . .
C61 C 0.599(4) 0.890(4) 0.418(2) 0.034(8) Uani 1 1 d . U . . .
C62 C 0.628(3) 1.015(2) 0.4948(10) 0.037(6) Uani 1 1 d G U . . .
C63 C 0.644(3) 1.108(2) 0.4924(10) 0.039(7) Uani 1 1 d DG U . . .
C64 C 0.646(3) 1.1730(18) 0.5354(13) 0.040(7) Uani 1 1 d G U . . .
H64 H 0.6568 1.2366 0.5337 0.048 Uiso 1 1 calc R U . . .
C65 C 0.630(3) 1.145(2) 0.5807(10) 0.041(7) Uani 1 1 d G U . . .
H65 H 0.6310 1.1887 0.6101 0.049 Uiso 1 1 calc R U . . .
C66 C 0.614(3) 1.052(2) 0.5832(10) 0.040(7) Uani 1 1 d G U . . .
H66 H 0.6032 1.0321 0.6142 0.049 Uiso 1 1 calc R U . . .
C67 C 0.612(3) 0.9870(19) 0.5402(13) 0.040(7) Uani 1 1 d DG U . . .
C68 C 0.651(4) 1.129(4) 0.4406(14) 0.045(11) Uani 1 1 d D U . . .
H68A H 0.6628 1.1958 0.4429 0.068 Uiso 1 1 calc R U . . .
H68B H 0.7080 1.1219 0.4274 0.068 Uiso 1 1 calc R U . . .
H68C H 0.5870 1.0820 0.4177 0.068 Uiso 1 1 calc R U . . .
C69 C 0.600(4) 0.889(3) 0.544(2) 0.045(11) Uani 1 1 d D U . . .
H69A H 0.6007 0.8519 0.5109 0.068 Uiso 1 1 calc R U . . .
H69B H 0.6566 0.8983 0.5686 0.068 Uiso 1 1 calc R U . . .
H69C H 0.5350 0.8516 0.5556 0.068 Uiso 1 1 calc R U . . .
N7 N 0.492(3) 0.915(3) 0.3095(15) 0.026(6) Uani 1 1 d . U . . .
C71 C 0.518(3) 0.853(3) 0.3054(17) 0.021(6) Uani 1 1 d . U . . .
C72 C 0.469(2) 0.982(2) 0.2911(13) 0.031(5) Uani 1 1 d G U . . .
C73 C 0.365(2) 0.9489(18) 0.2781(14) 0.038(6) Uani 1 1 d DG U . . .
C74 C 0.3321(17) 1.007(2) 0.2584(15) 0.045(7) Uani 1 1 d G U . . .
H74 H 0.2610 0.9839 0.2495 0.054 Uiso 1 1 calc R U . . .
C75 C 0.403(3) 1.097(2) 0.2517(14) 0.048(7) Uani 1 1 d G U . . .
H75 H 0.3805 1.1365 0.2382 0.057 Uiso 1 1 calc R U . . .
C76 C 0.507(2) 1.1302(19) 0.2647(15) 0.048(7) Uani 1 1 d G U . . .
H76 H 0.5557 1.1921 0.2601 0.058 Uiso 1 1 calc R U . . .
C77 C 0.5402(17) 1.073(2) 0.2844(14) 0.040(7) Uani 1 1 d DG U . . .
C78 C 0.289(3) 0.848(2) 0.2804(18) 0.025(8) Uani 1 1 d D U . . .
H78A H 0.3244 0.8175 0.2952 0.038 Uiso 1 1 calc R U . . .
H78B H 0.2390 0.8517 0.3015 0.038 Uiso 1 1 calc R U . . .
H78C H 0.2540 0.8088 0.2462 0.038 Uiso 1 1 calc R U . . .
C79 C 0.647(2) 1.086(3) 0.296(2) 0.032(9) Uani 1 1 d D U . . .
H79A H 0.6438 1.0323 0.3095 0.048 Uiso 1 1 calc R U . . .
H79B H 0.6765 1.0866 0.2645 0.048 Uiso 1 1 calc R U . . .
H79C H 0.6893 1.1489 0.3206 0.048 Uiso 1 1 calc R U . . .
N8 N 0.741(4) 1.018(4) 0.138(2) 0.056(8) Uani 1 1 d . U . . .
C81 C 0.722(5) 0.968(5) 0.163(3) 0.056(9) Uani 1 1 d . U . . .
C82 C 0.767(4) 1.092(2) 0.1124(14) 0.062(8) Uani 1 1 d G U . . .
C83 C 0.765(3) 1.089(2) 0.0611(14) 0.065(8) Uani 1 1 d DG U . . .
C84 C 0.790(3) 1.174(3) 0.0447(12) 0.069(9) Uani 1 1 d G U . . .
H84 H 0.7893 1.1722 0.0096 0.082 Uiso 1 1 calc R U . . .
C85 C 0.816(4) 1.261(3) 0.0796(15) 0.072(9) Uani 1 1 d G U . . .
H85 H 0.8331 1.3195 0.0684 0.086 Uiso 1 1 calc R U . . .
C86 C 0.818(3) 1.264(2) 0.1309(14) 0.071(9) Uani 1 1 d G U . . .
H86 H 0.8354 1.3238 0.1548 0.086 Uiso 1 1 calc R U . . .
C87 C 0.793(3) 1.179(3) 0.1473(12) 0.070(8) Uani 1 1 d DG U . . .
C88 C 0.715(6) 0.981(3) 0.035(3) 0.074(14) Uani 1 1 d D U . . .
H88A H 0.7110 0.9728 -0.0016 0.112 Uiso 1 1 calc R U . . .
H88B H 0.7551 0.9519 0.0468 0.112 Uiso 1 1 calc R U . . .
H88C H 0.6457 0.9479 0.0434 0.112 Uiso 1 1 calc R U . . .
C89 C 0.832(6) 1.207(6) 0.2034(14) 0.077(14) Uani 1 1 d D U . . .
H89A H 0.8149 1.1478 0.2154 0.116 Uiso 1 1 calc R U . . .
H89B H 0.9064 1.2491 0.2096 0.116 Uiso 1 1 calc R U . . .
H89C H 0.8000 1.2430 0.2217 0.116 Uiso 1 1 calc R U . . .
N9 N 0.879(3) 1.019(3) 0.2642(17) 0.035(6) Uani 1 1 d . U . . .
C91 C 0.806(4) 0.947(4) 0.256(2) 0.033(7) Uani 1 1 d . U . . .
C92 C 0.963(2) 1.063(3) 0.3056(12) 0.042(6) Uani 1 1 d G U . . .
C93 C 0.956(2) 1.100(3) 0.3550(15) 0.045(7) Uani 1 1 d DG U . . .
C94 C 1.038(3) 1.136(3) 0.3935(11) 0.052(8) Uani 1 1 d G U . . .
H94 H 1.0334 1.1605 0.4273 0.063 Uiso 1 1 calc R U . . .
C95 C 1.128(2) 1.136(3) 0.3825(13) 0.060(8) Uani 1 1 d G U . . .
H95 H 1.1849 1.1603 0.4088 0.072 Uiso 1 1 calc R U . . .
C96 C 1.136(2) 1.099(3) 0.3331(16) 0.058(8) Uani 1 1 d G U . . .
H96 H 1.1974 1.0992 0.3256 0.070 Uiso 1 1 calc R U . . .
C97 C 1.053(3) 1.063(3) 0.2946(11) 0.051(7) Uani 1 1 d DG U . . .
C98 C 0.860(3) 1.104(4) 0.367(2) 0.047(11) Uani 1 1 d D U . . .
H98A H 0.8092 1.0754 0.3360 0.071 Uiso 1 1 calc R U . . .
H98B H 0.8315 1.0659 0.3922 0.071 Uiso 1 1 calc R U . . .
H98C H 0.8762 1.1720 0.3804 0.071 Uiso 1 1 calc R U . . .
C99 C 1.060(4) 1.025(4) 0.2407(14) 0.049(11) Uani 1 1 d D U . . .
H99A H 0.9953 1.0027 0.2190 0.073 Uiso 1 1 calc R U . . .
H99B H 1.1155 1.0776 0.2293 0.073 Uiso 1 1 calc R U . . .
H99C H 1.0747 0.9700 0.2386 0.073 Uiso 1 1 calc R U . . .
N10 N 0.854(5) 0.749(4) 0.157(2) 0.065(9) Uani 1 1 d . U . . .
C101 C 0.785(6) 0.726(6) 0.179(3) 0.068(10) Uani 1 1 d . U . . .
C102 C 0.918(3) 0.782(4) 0.1271(17) 0.068(8) Uani 1 1 d G U . . .
C103 C 0.878(3) 0.791(4) 0.0825(19) 0.073(9) Uani 1 1 d DG U . . .
C104 C 0.940(4) 0.825(4) 0.0468(15) 0.076(9) Uani 1 1 d G U . . .
H104 H 0.9128 0.8312 0.0164 0.091 Uiso 1 1 calc R U . . .
C105 C 1.043(4) 0.849(4) 0.0557(17) 0.076(9) Uani 1 1 d G U . . .
H105 H 1.0855 0.8720 0.0313 0.092 Uiso 1 1 calc R U . . .
C106 C 1.083(3) 0.840(4) 0.1002(19) 0.072(9) Uani 1 1 d G U . . .
H106 H 1.1531 0.8563 0.1063 0.086 Uiso 1 1 calc R U . . .
C107 C 1.021(4) 0.806(4) 0.1360(15) 0.070(9) Uani 1 1 d DG U . . .
C108 C 0.767(3) 0.768(6) 0.072(3) 0.082(14) Uani 1 1 d D U . . .
H10A H 0.7541 0.7788 0.0386 0.123 Uiso 1 1 calc R U . . .
H10B H 0.7228 0.6986 0.0715 0.123 Uiso 1 1 calc R U . . .
H10C H 0.7536 0.8099 0.0980 0.123 Uiso 1 1 calc R U . . .
C109 C 1.064(6) 0.798(5) 0.1849(18) 0.070(13) Uani 1 1 d D U . . .
H10D H 1.0097 0.7736 0.2054 0.104 Uiso 1 1 calc R U . . .
H10E H 1.0921 0.7530 0.1776 0.104 Uiso 1 1 calc R U . . .
H10F H 1.1184 0.8632 0.2035 0.104 Uiso 1 1 calc R U . . .
N11 N 0.357(3) 0.501(3) 0.3701(16) 0.028(6) Uani 1 1 d . U . . .
C111 C 0.366(4) 0.545(3) 0.3411(18) 0.025(7) Uani 1 1 d . U . . .
C112 C 0.362(3) 0.450(2) 0.4029(11) 0.035(6) Uani 1 1 d G U . . .
C113 C 0.371(3) 0.367(2) 0.3832(9) 0.036(6) Uani 1 1 d DG U . . .
C114 C 0.380(3) 0.311(2) 0.4151(12) 0.037(7) Uani 1 1 d G U . . .
H114 H 0.3864 0.2545 0.4016 0.045 Uiso 1 1 calc R U . . .
C115 C 0.381(3) 0.339(2) 0.4668(11) 0.040(7) Uani 1 1 d G U . . .
H115 H 0.3878 0.3018 0.4886 0.048 Uiso 1 1 calc R U . . .
C116 C 0.372(3) 0.423(2) 0.4865(9) 0.040(7) Uani 1 1 d G U . . .
H116 H 0.3730 0.4419 0.5218 0.048 Uiso 1 1 calc R U . . .
C117 C 0.363(3) 0.478(2) 0.4546(12) 0.037(6) Uani 1 1 d DG U . . .
C118 C 0.369(4) 0.336(4) 0.3271(11) 0.040(10) Uani 1 1 d D U . . .
H11A H 0.3759 0.2761 0.3195 0.061 Uiso 1 1 calc R U . . .
H11B H 0.3039 0.3227 0.3086 0.061 Uiso 1 1 calc R U . . .
H11C H 0.4257 0.3884 0.3166 0.061 Uiso 1 1 calc R U . . .
C119 C 0.357(4) 0.570(3) 0.478(2) 0.043(10) Uani 1 1 d D U . . .
H11D H 0.3507 0.6009 0.4507 0.064 Uiso 1 1 calc R U . . .
H11E H 0.2979 0.5530 0.4951 0.064 Uiso 1 1 calc R U . . .
H11F H 0.4199 0.6156 0.5018 0.064 Uiso 1 1 calc R U . . .
N12 N 0.896(4) 0.862(4) 0.374(2) 0.048(7) Uani 1 1 d . U . . .
C121 C 0.836(5) 0.853(5) 0.342(2) 0.048(9) Uani 1 1 d . U . . .
C122 C 0.953(5) 0.831(6) 0.401(3) 0.050(7) Uani 0.54(3) 1 d G U P A -1
C123 C 0.922(4) 0.792(6) 0.442(3) 0.051(8) Uani 0.54(3) 1 d DG U P A -1
C124 C 0.986(5) 0.770(6) 0.471(2) 0.052(9) Uani 0.54(3) 1 d G U P A -1
H124 H 0.9646 0.7433 0.4988 0.063 Uiso 0.54(3) 1 calc R U P A -1
C125 C 1.081(5) 0.789(6) 0.457(3) 0.052(9) Uani 0.54(3) 1 d G U P A -1
H125 H 1.1247 0.7745 0.4768 0.062 Uiso 0.54(3) 1 calc R U P A -1
C126 C 1.112(4) 0.829(6) 0.416(3) 0.052(8) Uani 0.54(3) 1 d G U P A -1
H126 H 1.1770 0.8413 0.4073 0.062 Uiso 0.54(3) 1 calc R U P A -1
C127 C 1.048(5) 0.850(6) 0.388(2) 0.051(7) Uani 0.54(3) 1 d DG U P A -1
C128 C 0.821(5) 0.764(8) 0.461(4) 0.045(15) Uani 0.54(3) 1 d D U P A -1
H12A H 0.8202 0.7378 0.4910 0.068 Uiso 0.54(3) 1 calc R U P A -1
H12B H 0.8119 0.8225 0.4704 0.068 Uiso 0.54(3) 1 calc R U P A -1
H12C H 0.7649 0.7143 0.4345 0.068 Uiso 0.54(3) 1 calc R U P A -1
C129 C 1.078(9) 0.876(9) 0.339(3) 0.051(11) Uani 0.54(3) 1 d D U P A -1
H12D H 1.0276 0.8889 0.3223 0.077 Uiso 0.54(3) 1 calc R U P A -1
H12E H 1.1456 0.9341 0.3455 0.077 Uiso 0.54(3) 1 calc R U P A -1
H12F H 1.0810 0.8206 0.3164 0.077 Uiso 0.54(3) 1 calc R U P A -1
C222 C 0.973(6) 0.894(7) 0.416(3) 0.050(7) Uani 0.46(3) 1 d G U P A -2
C223 C 0.958(5) 0.931(7) 0.463(3) 0.050(8) Uani 0.46(3) 1 d DG U P A -2
C224 C 1.030(6) 0.960(6) 0.506(2) 0.050(10) Uani 0.46(3) 1 d G U P A -2
H224 H 1.0197 0.9845 0.5383 0.060 Uiso 0.46(3) 1 calc R U P A -2
C225 C 1.119(5) 0.952(7) 0.501(3) 0.051(10) Uani 0.46(3) 1 d G U P A -2
H225 H 1.1685 0.9714 0.5295 0.061 Uiso 0.46(3) 1 calc R U P A -2
C226 C 1.134(5) 0.915(7) 0.453(3) 0.051(8) Uani 0.46(3) 1 d G U P A -2
H226 H 1.1947 0.9100 0.4494 0.062 Uiso 0.46(3) 1 calc R U P A -2
C227 C 1.062(6) 0.887(7) 0.411(2) 0.051(7) Uani 0.46(3) 1 d DG U P A -2
C228 C 0.869(7) 0.951(9) 0.470(5) 0.042(15) Uani 0.46(3) 1 d D U P A -2
H22A H 0.8716 0.9765 0.5065 0.063 Uiso 0.46(3) 1 calc R U P A -2
H22B H 0.8736 1.0002 0.4520 0.063 Uiso 0.46(3) 1 calc R U P A -2
H22C H 0.8045 0.8905 0.4573 0.063 Uiso 0.46(3) 1 calc R U P A -2
C229 C 1.066(11) 0.835(10) 0.359(3) 0.051(11) Uani 0.46(3) 1 d D U P A -2
H22D H 1.0071 0.8218 0.3349 0.077 Uiso 0.46(3) 1 calc R U P A -2
H22E H 1.1294 0.8767 0.3476 0.077 Uiso 0.46(3) 1 calc R U P A -2
H22F H 1.0640 0.7728 0.3605 0.077 Uiso 0.46(3) 1 calc R U P A -2
N13 N 0.176(3) 0.516(3) 0.2515(16) 0.028(6) Uani 1 1 d . U . . .
C131 C 0.254(4) 0.563(4) 0.2445(19) 0.027(7) Uani 1 1 d . U . . .
C132 C 0.144(3) 0.474(2) 0.2947(11) 0.035(6) Uani 1 1 d G U . . .
C133 C 0.144(3) 0.5320(17) 0.3399(13) 0.038(7) Uani 1 1 d DG U . . .
C134 C 0.120(3) 0.493(2) 0.3821(10) 0.041(7) Uani 1 1 d G U . . .
H134 H 0.1200 0.5328 0.4130 0.050 Uiso 1 1 calc R U . . .
C135 C 0.098(3) 0.396(2) 0.3790(11) 0.045(7) Uani 1 1 d G U . . .
H135 H 0.0818 0.3699 0.4077 0.053 Uiso 1 1 calc R U . . .
C136 C 0.098(3) 0.3385(17) 0.3337(13) 0.043(7) Uani 1 1 d G U . . .
H136 H 0.0827 0.2724 0.3315 0.051 Uiso 1 1 calc R U . . .
C137 C 0.121(3) 0.377(2) 0.2915(10) 0.039(7) Uani 1 1 d DG U . . .
C138 C 0.167(4) 0.637(2) 0.345(2) 0.048(11) Uani 1 1 d D U . . .
H13A H 0.1819 0.6543 0.3124 0.071 Uiso 1 1 calc R U . . .
H13B H 0.1079 0.6444 0.3540 0.071 Uiso 1 1 calc R U . . .
H13C H 0.2266 0.6805 0.3712 0.071 Uiso 1 1 calc R U . . .
C139 C 0.123(4) 0.317(4) 0.2418(14) 0.041(10) Uani 1 1 d D U . . .
H13D H 0.1411 0.3568 0.2168 0.061 Uiso 1 1 calc R U . . .
H13E H 0.1744 0.2953 0.2467 0.061 Uiso 1 1 calc R U . . .
H13F H 0.0557 0.2593 0.2295 0.061 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'
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
C11 Pt1 C71 106(3) . .
C11 Pt1 Pt5 128(2) . .
C71 Pt1 Pt5 85.7(12) . .
C11 Pt1 Pt2 110(2) . .
C71 Pt1 Pt2 86.5(12) . .
Pt5 Pt1 Pt2 120.68(9) . .
C11 Pt1 Pt8 50(2) . .
C71 Pt1 Pt8 96.6(12) . .
Pt5 Pt1 Pt8 177.39(10) . .
Pt2 Pt1 Pt8 60.89(7) . .
C11 Pt1 Pt9 67(2) . .
C71 Pt1 Pt9 98.6(12) . .
Pt5 Pt1 Pt9 61.54(7) . .
Pt2 Pt1 Pt9 174.73(10) . .
Pt8 Pt1 Pt9 116.71(9) . .
C11 Pt1 Pt6 154(2) . .
C71 Pt1 Pt6 49.4(12) . .
Pt5 Pt1 Pt6 66.04(7) . .
Pt2 Pt1 Pt6 64.75(7) . .
Pt8 Pt1 Pt6 116.44(9) . .
Pt9 Pt1 Pt6 119.78(8) . .
C11 Pt1 Pt3 87(2) . .
C71 Pt1 Pt3 146.0(12) . .
Pt5 Pt1 Pt3 110.60(8) . .
Pt2 Pt1 Pt3 59.52(7) . .
Pt8 Pt1 Pt3 68.13(7) . .
Pt9 Pt1 Pt3 115.42(9) . .
Pt6 Pt1 Pt3 108.92(9) . .
C11 Pt1 Pt4 95(2) . .
C71 Pt1 Pt4 147.5(12) . .
Pt5 Pt1 Pt4 61.83(7) . .
Pt2 Pt1 Pt4 108.53(8) . .
Pt8 Pt1 Pt4 115.91(8) . .
Pt9 Pt1 Pt4 67.84(7) . .
Pt6 Pt1 Pt4 110.39(8) . .
Pt3 Pt1 Pt4 56.66(7) . .
C11 Pt1 Pt7 146(2) . .
C71 Pt1 Pt7 106.1(12) . .
Pt5 Pt1 Pt7 62.53(7) . .
Pt2 Pt1 Pt7 63.72(7) . .
Pt8 Pt1 Pt7 117.85(8) . .
Pt9 Pt1 Pt7 115.84(8) . .
Pt6 Pt1 Pt7 56.74(6) . .
Pt3 Pt1 Pt7 60.93(7) . .
Pt4 Pt1 Pt7 59.75(7) . .
C121 Pt2 C91 105(2) . .
C121 Pt2 Pt1 148.3(19) . .
C91 Pt2 Pt1 106.6(15) . .
C121 Pt2 Pt3 112.8(19) . .
C91 Pt2 Pt3 97.4(15) . .
Pt1 Pt2 Pt3 62.00(7) . .
C121 Pt2 Pt8 150.9(18) . .
C91 Pt2 Pt8 47.7(15) . .
Pt1 Pt2 Pt8 59.72(7) . .
Pt3 Pt2 Pt8 68.65(8) . .
C121 Pt2 Pt6 97.7(18) . .
C91 Pt2 Pt6 137.8(15) . .
Pt1 Pt2 Pt6 58.28(7) . .
Pt3 Pt2 Pt6 105.91(8) . .
Pt8 Pt2 Pt6 109.98(8) . .
C121 Pt2 Pt7 88.7(19) . .
C91 Pt2 Pt7 157.8(15) . .
Pt1 Pt2 Pt7 60.96(7) . .
Pt3 Pt2 Pt7 60.74(7) . .
Pt8 Pt2 Pt7 114.40(9) . .
Pt6 Pt2 Pt7 54.20(6) . .
C101 Pt3 C41 101(3) . .
C101 Pt3 Pt4 147(2) . .
C41 Pt3 Pt4 49.3(15) . .
C101 Pt3 Pt2 101(2) . .
C41 Pt3 Pt2 154.4(17) . .
Pt4 Pt3 Pt2 112.22(9) . .
C101 Pt3 Pt1 141(2) . .
C41 Pt3 Pt1 110.6(15) . .
Pt4 Pt3 Pt1 61.99(7) . .
Pt2 Pt3 Pt1 58.48(7) . .
C101 Pt3 Pt7 144(2) . .
C41 Pt3 Pt7 91.1(17) . .
Pt4 Pt3 Pt7 61.38(7) . .
Pt2 Pt3 Pt7 63.32(7) . .
Pt1 Pt3 Pt7 60.80(6) . .
C101 Pt3 Pt8 86(2) . .
C41 Pt3 Pt8 140.2(18) . .
Pt4 Pt3 Pt8 108.87(9) . .
Pt2 Pt3 Pt8 55.85(7) . .
Pt1 Pt3 Pt8 54.59(6) . .
Pt7 Pt3 Pt8 106.62(8) . .
C31 Pt4 C41 104(2) . .
C31 Pt4 Pt3 149.6(18) . .
C41 Pt4 Pt3 47.3(16) . .
C31 Pt4 Pt5 101.0(18) . .
C41 Pt4 Pt5 151.7(17) . .
Pt3 Pt4 Pt5 109.45(9) . .
C31 Pt4 Pt1 142.9(17) . .
C41 Pt4 Pt1 108.0(16) . .
Pt3 Pt4 Pt1 61.35(7) . .
Pt5 Pt4 Pt1 55.80(6) . .
C31 Pt4 Pt7 137.6(18) . .
C41 Pt4 Pt7 91.1(17) . .
Pt3 Pt4 Pt7 63.00(8) . .
Pt5 Pt4 Pt7 61.05(7) . .
Pt1 Pt4 Pt7 61.13(7) . .
C31 Pt4 Pt9 88.5(17) . .
C41 Pt4 Pt9 138.7(17) . .
Pt3 Pt4 Pt9 108.25(8) . .
Pt5 Pt4 Pt9 55.16(6) . .
Pt1 Pt4 Pt9 54.78(6) . .
Pt7 Pt4 Pt9 106.33(8) . .
C111 Pt5 C131 105(2) . .
C111 Pt5 Pt1 147.9(14) . .
C131 Pt5 Pt1 107.0(14) . .
C111 Pt5 Pt9 150.3(14) . .
C131 Pt5 Pt9 46.1(14) . .
Pt1 Pt5 Pt9 61.06(7) . .
C111 Pt5 Pt4 114.3(14) . .
C131 Pt5 Pt4 91.1(13) . .
Pt1 Pt5 Pt4 62.37(7) . .
Pt9 Pt5 Pt4 67.87(7) . .
C111 Pt5 Pt7 87.3(14) . .
C131 Pt5 Pt7 151.1(13) . .
Pt1 Pt5 Pt7 62.92(7) . .
Pt9 Pt5 Pt7 115.78(8) . .
Pt4 Pt5 Pt7 60.03(7) . .
C111 Pt5 Pt6 95.2(15) . .
C131 Pt5 Pt6 146.0(13) . .
Pt1 Pt5 Pt6 58.84(7) . .
Pt9 Pt5 Pt6 113.14(8) . .
Pt4 Pt5 Pt6 105.56(8) . .
Pt7 Pt5 Pt6 54.90(6) . .
C61 Pt6 C71 99.4(19) . .
C61 Pt6 C1 98(2) . .
C71 Pt6 C1 162(2) . .
C61 Pt6 Pt7 146.3(14) . .
C71 Pt6 Pt7 113.1(12) . .
C1 Pt6 Pt7 51.1(18) . .
C61 Pt6 Pt1 146.7(15) . .
C71 Pt6 Pt1 49.0(12) . .
C1 Pt6 Pt1 114.8(18) . .
Pt7 Pt6 Pt1 64.11(7) . .
C61 Pt6 Pt2 115.7(16) . .
C71 Pt6 Pt2 80.9(12) . .
C1 Pt6 Pt2 96.2(18) . .
Pt7 Pt6 Pt2 63.49(7) . .
Pt1 Pt6 Pt2 56.97(7) . .
C61 Pt6 Pt5 138.5(16) . .
C71 Pt6 Pt5 78.1(12) . .
C1 Pt6 Pt5 85.6(17) . .
Pt7 Pt6 Pt5 61.30(7) . .
Pt1 Pt6 Pt5 55.12(6) . .
Pt2 Pt6 Pt5 104.89(8) . .
C51 Pt7 C1 94(3) . .
C51 Pt7 Pt6 144(2) . .
C1 Pt7 Pt6 51.3(16) . .
C51 Pt7 Pt4 103(2) . .
C1 Pt7 Pt4 145.2(17) . .
Pt6 Pt7 Pt4 111.98(8) . .
C51 Pt7 Pt5 132.0(18) . .
C1 Pt7 Pt5 87.4(17) . .
Pt6 Pt7 Pt5 63.80(7) . .
Pt4 Pt7 Pt5 58.92(7) . .
C51 Pt7 Pt1 156(2) . .
C1 Pt7 Pt1 110.1(16) . .
Pt6 Pt7 Pt1 59.16(7) . .
Pt4 Pt7 Pt1 59.12(7) . .
Pt5 Pt7 Pt1 54.56(6) . .
C51 Pt7 Pt3 100(2) . .
C1 Pt7 Pt3 151.2(17) . .
Pt6 Pt7 Pt3 108.70(8) . .
Pt4 Pt7 Pt3 55.62(7) . .
Pt5 Pt7 Pt3 102.10(9) . .
Pt1 Pt7 Pt3 58.26(7) . .
C51 Pt7 Pt2 121.9(18) . .
C1 Pt7 Pt2 95.4(17) . .
Pt6 Pt7 Pt2 62.31(7) . .
Pt4 Pt7 Pt2 101.59(8) . .
Pt5 Pt7 Pt2 105.77(7) . .
Pt1 Pt7 Pt2 55.32(6) . .
Pt3 Pt7 Pt2 55.94(7) . .
C81 Pt8 C91 94(2) . .
C81 Pt8 C11 119(3) . .
C91 Pt8 C11 146(2) . .
C81 Pt8 Pt1 157(2) . .
C91 Pt8 Pt1 106.2(14) . .
C11 Pt8 Pt1 39(2) . .
C81 Pt8 Pt2 142(2) . .
C91 Pt8 Pt2 47.6(14) . .
C11 Pt8 Pt2 98(2) . .
Pt1 Pt8 Pt2 59.39(7) . .
C81 Pt8 Pt3 136(2) . .
C91 Pt8 Pt3 87.1(14) . .
C11 Pt8 Pt3 74.0(19) . .
Pt1 Pt8 Pt3 57.29(6) . .
Pt2 Pt8 Pt3 55.50(7) . .
C21 Pt9 C131 91(2) . .
C21 Pt9 N1 99(2) . .
C131 Pt9 N1 169.4(19) . .
C21 Pt9 C11 124(2) . .
C131 Pt9 C11 145(2) . .
N1 Pt9 C11 24.8(18) . .
C21 Pt9 Pt1 159.7(17) . .
C131 Pt9 Pt1 107.1(14) . .
N1 Pt9 Pt1 62.4(13) . .
C11 Pt9 Pt1 37.6(16) . .
C21 Pt9 Pt5 140.3(18) . .
C131 Pt9 Pt5 49.8(14) . .
N1 Pt9 Pt5 119.7(13) . .
C11 Pt9 Pt5 94.9(16) . .
Pt1 Pt9 Pt5 57.40(7) . .
C21 Pt9 Pt4 135.7(17) . .
C131 Pt9 Pt4 85.2(13) . .
N1 Pt9 Pt4 89.1(12) . .
C11 Pt9 Pt4 73.6(15) . .
Pt1 Pt9 Pt4 57.39(6) . .
Pt5 Pt9 Pt4 56.97(6) . .
O1 C1 Pt7 136(6) . .
O1 C1 Pt6 146(6) . .
Pt7 C1 Pt6 78(2) . .
C11 N1 C12 150(7) . .
C11 N1 Pt9 83(5) . .
C12 N1 Pt9 126(4) . .
N1 C11 Pt1 147(7) . .
N1 C11 Pt8 121(6) . .
Pt1 C11 Pt8 91(3) . .
N1 C11 Pt9 72(5) . .
Pt1 C11 Pt9 75(2) . .
Pt8 C11 Pt9 166(4) . .
C13 C12 C17 120.0 . .
C13 C12 N1 121(4) . .
C17 C12 N1 119(4) . .
C12 C13 C14 120.0 . .
C12 C13 C18 119(4) . .
C14 C13 C18 121(4) . .
C15 C14 C13 120.0 . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C16 120.0 . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 120.0 . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C12 120.0 . .
C16 C17 C19 118(4) . .
C12 C17 C19 122(4) . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 N2 C22 170(7) . .
N2 C21 Pt9 177(6) . .
N2 C22 C23 119(4) . .
N2 C22 C27 121(4) . .
C23 C22 C27 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 C28 122(4) . .
C22 C23 C28 118(4) . .
C23 C24 C25 120.0 . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C26 C25 C24 120.0 . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C26 C27 C22 120.0 . .
C26 C27 C29 132(3) . .
C22 C27 C29 108(3) . .
C23 C28 H28A 109.5 . .
C23 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C23 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C31 N3 C32 173(6) . .
N3 C31 Pt4 175(6) . .
C33 C32 C37 120.0 . .
C33 C32 N3 119(3) . .
C37 C32 N3 121(3) . .
C34 C33 C32 120.0 . .
C34 C33 C38 118(4) . .
C32 C33 C38 122(4) . .
C33 C34 C35 120.0 . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C32 120.0 . .
C36 C37 C39 123(3) . .
C32 C37 C39 117(3) . .
C33 C38 H38A 109.5 . .
C33 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C33 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C41 N4 C42 134(5) . .
N4 C41 Pt3 138(5) . .
N4 C41 Pt4 139(5) . .
Pt3 C41 Pt4 83(2) . .
N4 C42 C43 120(3) . .
N4 C42 C47 120(3) . .
C43 C42 C47 120.0 . .
C44 C43 C42 120.0 . .
C44 C43 C48 120(3) . .
C42 C43 C48 120(4) . .
C43 C44 C45 120.0 . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C46 120.0 . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C46 C47 C42 120.0 . .
C46 C47 C49 121(3) . .
C42 C47 C49 119(3) . .
C43 C48 H48A 109.5 . .
C43 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C43 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 N5 C52 165(6) . .
N5 C51 Pt7 175(6) . .
N5 C52 C53 120(4) . .
N5 C52 C57 120(4) . .
C53 C52 C57 120.0 . .
C54 C53 C52 120.0 . .
C54 C53 C58 121(3) . .
C52 C53 C58 118(3) . .
C55 C54 C53 120.0 . .
C55 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C54 C55 C56 120.0 . .
C54 C55 H55 120.0 . .
C56 C55 H55 120.0 . .
C55 C56 C57 120.0 . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C56 C57 C52 120.0 . .
C56 C57 C59 124(3) . .
C52 C57 C59 116(3) . .
C53 C58 H58A 109.5 . .
C53 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C53 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C61 N6 C62 171(5) . .
N6 C61 Pt6 175(5) . .
N6 C62 C63 120(3) . .
N6 C62 C67 119(3) . .
C63 C62 C67 120.0 . .
C62 C63 C64 120.0 . .
C62 C63 C68 116(3) . .
C64 C63 C68 124(3) . .
C65 C64 C63 120.0 . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C64 C65 C66 120.0 . .
C64 C65 H65 120.0 . .
C66 C65 H65 120.0 . .
C67 C66 C65 120.0 . .
C67 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C66 C67 C62 120.0 . .
C66 C67 C69 119(3) . .
C62 C67 C69 121(3) . .
C63 C68 H68A 109.5 . .
C63 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C63 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C71 N7 C72 154(4) . .
N7 C71 Pt1 142(4) . .
N7 C71 Pt6 136(4) . .
Pt1 C71 Pt6 81.6(16) . .
C73 C72 C77 120.0 . .
C73 C72 N7 114(3) . .
C77 C72 N7 126(3) . .
C74 C73 C72 120.0 . .
C74 C73 C78 120(3) . .
C72 C73 C78 120(3) . .
C73 C74 C75 120.0 . .
C73 C74 H74 120.0 . .
C75 C74 H74 120.0 . .
C76 C75 C74 120.0 . .
C76 C75 H75 120.0 . .
C74 C75 H75 120.0 . .
C75 C76 C77 120.0 . .
C75 C76 H76 120.0 . .
C77 C76 H76 120.0 . .
C76 C77 C72 120.0 . .
C76 C77 C79 130(3) . .
C72 C77 C79 110(3) . .
C73 C78 H78A 109.5 . .
C73 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C73 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C77 C79 H79A 109.5 . .
C77 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C77 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C81 N8 C82 171(7) . .
N8 C81 Pt8 173(6) . .
N8 C82 C83 131(3) . .
N8 C82 C87 109(3) . .
C83 C82 C87 120.0 . .
C82 C83 C84 120.0 . .
C82 C83 C88 104(3) . .
C84 C83 C88 134(4) . .
C83 C84 C85 120.0 . .
C83 C84 H84 120.0 . .
C85 C84 H84 120.0 . .
C86 C85 C84 120.0 . .
C86 C85 H85 120.0 . .
C84 C85 H85 120.0 . .
C85 C86 C87 120.0 . .
C85 C86 H86 120.0 . .
C87 C86 H86 120.0 . .
C86 C87 C82 120.0 . .
C86 C87 C89 109(4) . .
C82 C87 C89 128(4) . .
C83 C88 H88A 109.5 . .
C83 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C83 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C87 C89 H89A 109.5 . .
C87 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
C87 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
C91 N9 C92 131(5) . .
N9 C91 Pt2 136(5) . .
N9 C91 Pt8 138(4) . .
Pt2 C91 Pt8 85(2) . .
C93 C92 C97 120.0 . .
C93 C92 N9 123(3) . .
C97 C92 N9 117(3) . .
C94 C93 C92 120.0 . .
C94 C93 C98 120(4) . .
C92 C93 C98 120(4) . .
C93 C94 C95 120.0 . .
C93 C94 H94 120.0 . .
C95 C94 H94 120.0 . .
C96 C95 C94 120.0 . .
C96 C95 H95 120.0 . .
C94 C95 H95 120.0 . .
C95 C96 C97 120.0 . .
C95 C96 H96 120.0 . .
C97 C96 H96 120.0 . .
C96 C97 C92 120.0 . .
C96 C97 C99 121(3) . .
C92 C97 C99 119(3) . .
C93 C98 H98A 109.5 . .
C93 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C93 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C97 C99 H99A 109.5 . .
C97 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C97 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C101 N10 C102 167(8) . .
N10 C101 Pt3 177(7) . .
N10 C102 C103 115(5) . .
N10 C102 C107 125(5) . .
C103 C102 C107 120.0 . .
C102 C103 C104 120.0 . .
C102 C103 C108 122(5) . .
C104 C103 C108 118(5) . .
C105 C104 C103 120.0 . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C104 C105 C106 120.0 . .
C104 C105 H105 120.0 . .
C106 C105 H105 120.0 . .
C107 C106 C105 120.0 . .
C107 C106 H106 120.0 . .
C105 C106 H106 120.0 . .
C106 C107 C102 120.0 . .
C106 C107 C109 120(4) . .
C102 C107 C109 120(4) . .
C103 C108 H10A 109.5 . .
C103 C108 H10B 109.5 . .
H10A C108 H10B 109.5 . .
C103 C108 H10C 109.5 . .
H10A C108 H10C 109.5 . .
H10B C108 H10C 109.5 . .
C107 C109 H10D 109.5 . .
C107 C109 H10E 109.5 . .
H10D C109 H10E 109.5 . .
C107 C109 H10F 109.5 . .
H10D C109 H10F 109.5 . .
H10E C109 H10F 109.5 . .
C111 N11 C112 171(5) . .
N11 C111 Pt5 173(4) . .
N11 C112 C113 116(3) . .
N11 C112 C117 124(3) . .
C113 C112 C117 120.0 . .
C112 C113 C114 120.0 . .
C112 C113 C118 120(3) . .
C114 C113 C118 120(3) . .
C115 C114 C113 120.0 . .
C115 C114 H114 120.0 . .
C113 C114 H114 120.0 . .
C114 C115 C116 120.0 . .
C114 C115 H115 120.0 . .
C116 C115 H115 120.0 . .
C117 C116 C115 120.0 . .
C117 C116 H116 120.0 . .
C115 C116 H116 120.0 . .
C116 C117 C112 120.0 . .
C116 C117 C119 119(3) . .
C112 C117 C119 121(3) . .
C113 C118 H11A 109.5 . .
C113 C118 H11B 109.5 . .
H11A C118 H11B 109.5 . .
C113 C118 H11C 109.5 . .
H11A C118 H11C 109.5 . .
H11B C118 H11C 109.5 . .
C117 C119 H11D 109.5 . .
C117 C119 H11E 109.5 . .
H11D C119 H11E 109.5 . .
C117 C119 H11F 109.5 . .
H11D C119 H11F 109.5 . .
H11E C119 H11F 109.5 . .
C121 N12 C122 155(7) . .
C121 N12 C222 167(7) . .
N12 C121 Pt2 175(5) . .
C123 C122 C127 120.0 . .
C123 C122 N12 123(5) . .
C127 C122 N12 117(5) . .
C122 C123 C124 120.00(7) . .
C122 C123 C128 127(6) . .
C124 C123 C128 113(6) . .
C123 C124 C125 120.0 . .
C123 C124 H124 120.0 . .
C125 C124 H124 120.0 . .
C126 C125 C124 120.0 . .
C126 C125 H125 120.0 . .
C124 C125 H125 120.0 . .
C127 C126 C125 120.00(6) . .
C127 C126 H126 120.0 . .
C125 C126 H126 120.0 . .
C126 C127 C122 120.0 . .
C126 C127 C129 117(6) . .
C122 C127 C129 122(6) . .
C123 C128 H12A 109.5 . .
C123 C128 H12B 109.5 . .
H12A C128 H12B 109.5 . .
C123 C128 H12C 109.5 . .
H12A C128 H12C 109.5 . .
H12B C128 H12C 109.5 . .
C127 C129 H12D 109.5 . .
C127 C129 H12E 109.5 . .
H12D C129 H12E 109.5 . .
C127 C129 H12F 109.5 . .
H12D C129 H12F 109.5 . .
H12E C129 H12F 109.5 . .
C223 C222 C227 120.00(8) . .
C223 C222 N12 119(6) . .
C227 C222 N12 121(6) . .
C222 C223 C224 120.0 . .
C222 C223 C228 122(7) . .
C224 C223 C228 118(7) . .
C225 C224 C223 120.0 . .
C225 C224 H224 120.0 . .
C223 C224 H224 120.0 . .
C224 C225 C226 120.00(5) . .
C224 C225 H225 120.0 . .
C226 C225 H225 120.0 . .
C227 C226 C225 120.0 . .
C227 C226 H226 120.0 . .
C225 C226 H226 120.0 . .
C226 C227 C222 120.0 . .
C226 C227 C229 123(7) . .
C222 C227 C229 116(7) . .
C223 C228 H22A 109.5 . .
C223 C228 H22B 109.5 . .
H22A C228 H22B 109.5 . .
C223 C228 H22C 109.5 . .
H22A C228 H22C 109.5 . .
H22B C228 H22C 109.5 . .
C227 C229 H22D 109.5 . .
C227 C229 H22E 109.5 . .
H22D C229 H22E 109.5 . .
C227 C229 H22F 109.5 . .
H22D C229 H22F 109.5 . .
H22E C229 H22F 109.5 . .
C131 N13 C132 130(4) . .
N13 C131 Pt9 147(4) . .
N13 C131 Pt5 129(4) . .
Pt9 C131 Pt5 84.1(19) . .
C133 C132 C137 120.0 . .
C133 C132 N13 121(3) . .
C137 C132 N13 119(3) . .
C134 C133 C132 120.0 . .
C134 C133 C138 118(3) . .
C132 C133 C138 122(3) . .
C133 C134 C135 120.0 . .
C133 C134 H134 120.0 . .
C135 C134 H134 120.0 . .
C136 C135 C134 120.0 . .
C136 C135 H135 120.0 . .
C134 C135 H135 120.0 . .
C137 C136 C135 120.0 . .
C137 C136 H136 120.0 . .
C135 C136 H136 120.0 . .
C136 C137 C132 120.0 . .
C136 C137 C139 122(3) . .
C132 C137 C139 118(3) . .
C133 C138 H13A 109.5 . .
C133 C138 H13B 109.5 . .
H13A C138 H13B 109.5 . .
C133 C138 H13C 109.5 . .
H13A C138 H13C 109.5 . .
H13B C138 H13C 109.5 . .
C137 C139 H13D 109.5 . .
C137 C139 H13E 109.5 . .
H13D C139 H13E 109.5 . .
C137 C139 H13F 109.5 . .
H13D C139 H13F 109.5 . .
H13E C139 H13F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C11 1.71(7) .
Pt1 C71 2.08(4) .
Pt1 Pt5 2.617(2) .
Pt1 Pt2 2.690(3) .
Pt1 Pt8 2.699(3) .
Pt1 Pt9 2.718(3) .
Pt1 Pt6 2.730(3) .
Pt1 Pt3 2.786(3) .
Pt1 Pt4 2.803(3) .
Pt1 Pt7 2.860(2) .
Pt2 C121 1.91(7) .
Pt2 C91 2.03(5) .
Pt2 Pt3 2.719(3) .
Pt2 Pt8 2.731(3) .
Pt2 Pt6 2.902(3) .
Pt2 Pt7 2.933(3) .
Pt3 C101 1.94(8) .
Pt3 C41 1.96(6) .
Pt3 Pt4 2.653(3) .
Pt3 Pt7 2.864(3) .
Pt3 Pt8 3.073(3) .
Pt4 C31 1.92(6) .
Pt4 C41 2.02(5) .
Pt4 Pt5 2.789(3) .
Pt4 Pt7 2.821(3) .
Pt4 Pt9 3.082(3) .
Pt5 C111 1.90(5) .
Pt5 C131 2.10(5) .
Pt5 Pt9 2.731(3) .
Pt5 Pt7 2.850(3) .
Pt5 Pt6 2.915(3) .
Pt6 C61 1.95(5) .
Pt6 C71 2.09(4) .
Pt6 C1 2.13(6) .
Pt6 Pt7 2.658(3) .
Pt7 C51 1.90(5) .
Pt7 C1 2.12(7) .
Pt8 C81 1.93(7) .
Pt8 C91 2.03(5) .
Pt8 C11 2.06(7) .
Pt9 C21 1.97(5) .
Pt9 C131 1.98(5) .
Pt9 N1 2.48(6) .
Pt9 C11 2.59(7) .
C1 O1 1.04(6) .
N1 C11 1.09(8) .
N1 C12 1.43(6) .
C12 C13 1.3900 .
C12 C17 1.3900 .
C13 C14 1.3900 .
C13 C18 1.51(2) .
C14 C15 1.3900 .
C14 H14 0.9500 .
C15 C16 1.3900 .
C15 H15 0.9500 .
C16 C17 1.3900 .
C16 H16 0.9500 .
C17 C19 1.51(2) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
N2 C21 1.13(7) .
N2 C22 1.32(5) .
C22 C23 1.3900 .
C22 C27 1.3900 .
C23 C24 1.3900 .
C23 C28 1.51(2) .
C24 C25 1.3900 .
C24 H24 0.9500 .
C25 C26 1.3900 .
C25 H25 0.9500 .
C26 C27 1.3900 .
C26 H26 0.9500 .
C27 C29 1.51(2) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
N3 C31 1.10(7) .
N3 C32 1.39(5) .
C32 C33 1.3900 .
C32 C37 1.3900 .
C33 C34 1.3900 .
C33 C38 1.51(2) .
C34 C35 1.3900 .
C34 H34 0.9500 .
C35 C36 1.3900 .
C35 H35 0.9500 .
C36 C37 1.3900 .
C36 H36 0.9500 .
C37 C39 1.51(2) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
N4 C41 1.21(7) .
N4 C42 1.38(5) .
C42 C43 1.3900 .
C42 C47 1.3900 .
C43 C44 1.3900 .
C43 C48 1.51(2) .
C44 C45 1.3900 .
C44 H44 0.9500 .
C45 C46 1.3900 .
C45 H45 0.9500 .
C46 C47 1.3900 .
C46 H46 0.9500 .
C47 C49 1.51(2) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
N5 C51 1.19(7) .
N5 C52 1.28(5) .
C52 C53 1.3900 .
C52 C57 1.3900 .
C53 C54 1.3900 .
C53 C58 1.51(2) .
C54 C55 1.3900 .
C54 H54 0.9500 .
C55 C56 1.3900 .
C55 H55 0.9500 .
C56 C57 1.3900 .
C56 H56 0.9500 .
C57 C59 1.50(2) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
N6 C61 1.11(6) .
N6 C62 1.36(5) .
C62 C63 1.3900 .
C62 C67 1.3900 .
C63 C64 1.3900 .
C63 C68 1.51(2) .
C64 C65 1.3900 .
C64 H64 0.9500 .
C65 C66 1.3900 .
C65 H65 0.9500 .
C66 C67 1.3900 .
C66 H66 0.9500 .
C67 C69 1.51(2) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
N7 C71 1.19(6) .
N7 C72 1.42(5) .
C72 C73 1.3900 .
C72 C77 1.3900 .
C73 C74 1.3900 .
C73 C78 1.487(19) .
C74 C75 1.3900 .
C74 H74 0.9500 .
C75 C76 1.3900 .
C75 H75 0.9500 .
C76 C77 1.3900 .
C76 H76 0.9500 .
C77 C79 1.509(19) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
N8 C81 1.10(7) .
N8 C82 1.37(6) .
C82 C83 1.3900 .
C82 C87 1.3900 .
C83 C84 1.3900 .
C83 C88 1.51(2) .
C84 C85 1.3900 .
C84 H84 0.9500 .
C85 C86 1.3900 .
C85 H85 0.9500 .
C86 C87 1.3900 .
C86 H86 0.9500 .
C87 C89 1.51(2) .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
N9 C91 1.13(6) .
N9 C92 1.44(5) .
C92 C93 1.3900 .
C92 C97 1.3900 .
C93 C94 1.3900 .
C93 C98 1.51(2) .
C94 C95 1.3900 .
C94 H94 0.9500 .
C95 C96 1.3900 .
C95 H95 0.9500 .
C96 C97 1.3900 .
C96 H96 0.9500 .
C97 C99 1.51(2) .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
N10 C101 1.17(8) .
N10 C102 1.27(6) .
C102 C103 1.3900 .
C102 C107 1.3900 .
C103 C104 1.3900 .
C103 C108 1.51(2) .
C104 C105 1.3900 .
C104 H104 0.9500 .
C105 C106 1.3900 .
C105 H105 0.9500 .
C106 C107 1.3900 .
C106 H106 0.9500 .
C107 C109 1.50(2) .
C108 H10A 0.9800 .
C108 H10B 0.9800 .
C108 H10C 0.9800 .
C109 H10D 0.9800 .
C109 H10E 0.9800 .
C109 H10F 0.9800 .
N11 C111 1.13(6) .
N11 C112 1.34(4) .
C112 C113 1.3900 .
C112 C117 1.3900 .
C113 C114 1.3900 .
C113 C118 1.51(2) .
C114 C115 1.3900 .
C114 H114 0.9500 .
C115 C116 1.3900 .
C115 H115 0.9500 .
C116 C117 1.3900 .
C116 H116 0.9500 .
C117 C119 1.51(2) .
C118 H11A 0.9800 .
C118 H11B 0.9800 .
C118 H11C 0.9800 .
C119 H11D 0.9800 .
C119 H11E 0.9800 .
C119 H11F 0.9800 .
N12 C121 1.16(7) .
N12 C122 1.40(7) .
N12 C222 1.41(8) .
C122 C123 1.3900 .
C122 C127 1.3900 .
C123 C124 1.3900 .
C123 C128 1.51(2) .
C124 C125 1.3900 .
C124 H124 0.9500 .
C125 C126 1.3900 .
C125 H125 0.9500 .
C126 C127 1.3900 .
C126 H126 0.9500 .
C127 C129 1.51(2) .
C128 H12A 0.9800 .
C128 H12B 0.9800 .
C128 H12C 0.9800 .
C129 H12D 0.9800 .
C129 H12E 0.9800 .
C129 H12F 0.9800 .
C222 C223 1.3900 .
C222 C227 1.3900 .
C223 C224 1.3900 .
C223 C228 1.51(2) .
C224 C225 1.3900 .
C224 H224 0.9500 .
C225 C226 1.3900 .
C225 H225 0.9500 .
C226 C227 1.3900 .
C226 H226 0.9500 .
C227 C229 1.51(2) .
C228 H22A 0.9800 .
C228 H22B 0.9800 .
C228 H22C 0.9800 .
C229 H22D 0.9800 .
C229 H22E 0.9800 .
C229 H22F 0.9800 .
N13 C131 1.11(6) .
N13 C132 1.45(5) .
C132 C133 1.3900 .
C132 C137 1.3900 .
C133 C134 1.3900 .
C133 C138 1.51(2) .
C134 C135 1.3900 .
C134 H134 0.9500 .
C135 C136 1.3900 .
C135 H135 0.9500 .
C136 C137 1.3900 .
C136 H136 0.9500 .
C137 C139 1.511(19) .
C138 H13A 0.9800 .
C138 H13B 0.9800 .
C138 H13C 0.9800 .
C139 H13D 0.9800 .
C139 H13E 0.9800 .
C139 H13F 0.9800 .
