#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315118.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_4315118
loop_
_publ_author_name
'Feng-Lei Jiang'
'Daniel Fortin'
'Pierre D. Harvey'
_publ_section_title
;
 Syntheses, Characterization, and Photophysical Properties of Conjugated
 Organometallic Pt-Acetylide/Zn(II) Porphyrin-Containing Oligomers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2614
_journal_page_last               2623
_journal_paper_doi               10.1021/ic901421m
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C106 H148 N4 P4 Pt2 Zn'
_chemical_formula_weight         2057.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-01-21T11:48:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                114.55(8)
_cell_angle_beta                 99.38(7)
_cell_angle_gamma                92.95(9)
_cell_formula_units_Z            1
_cell_length_a                   12.095(9)
_cell_length_b                   14.668(17)
_cell_length_c                   16.115(15)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     2543(5)
_computing_cell_refinement       Difrac
_computing_data_collection       Difrac
_computing_data_reduction        NRCVAX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  CAD4
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.2007
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9173
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.71
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    3.086
_exptl_absorpt_correction_T_max  0.7477
_exptl_absorpt_correction_T_min  0.1915
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   Empirical
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1058
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.527
_refine_diff_density_min         -1.883
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.916
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         9173
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      0.915
_refine_ls_R_factor_all          0.2755
_refine_ls_R_factor_gt           0.114
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1680P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2545
_refine_ls_wR_factor_ref         0.3122
_reflns_number_gt                3609
_reflns_number_total             9173
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901421m_si_002.cif
_cod_data_source_block           znppt2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Psi-Scan'
changed to 'psi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2543(4)
_cod_database_code               4315118
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4088(18) 0.265(3) 0.3129(18) 0.263(11) Uani 1 1 d G . .
C2 C 0.449(2) 0.172(2) 0.2836(17) 0.263(11) Uani 1 1 d G . .
H2 H 0.4055 0.1156 0.2343 0.316 Uiso 1 1 calc R . .
C3 C 0.554(2) 0.163(2) 0.3281(18) 0.263(11) Uani 1 1 d G . .
H3 H 0.5803 0.101 0.3085 0.316 Uiso 1 1 calc R . .
C4 C 0.6183(18) 0.248(2) 0.4018(18) 0.263(11) Uani 1 1 d G . .
H4 H 0.6883 0.2419 0.4315 0.316 Uiso 1 1 calc R . .
C5 C 0.578(2) 0.341(2) 0.4311(16) 0.263(11) Uani 1 1 d G . .
H5 H 0.6216 0.3974 0.4804 0.316 Uiso 1 1 calc R . .
C6 C 0.474(2) 0.350(2) 0.3866(18) 0.263(11) Uani 1 1 d G . .
H6 H 0.4468 0.4121 0.4062 0.316 Uiso 1 1 calc R . .
C7 C 0.304(4) 0.289(5) 0.271(3) 0.263(11) Uani 1 1 d . . .
C8 C 0.216(4) 0.300(5) 0.233(3) 0.263(11) Uani 1 1 d . . .
C9 C -0.0720(15) 0.3411(19) 0.1061(14) 0.085(2) Uani 1 1 d . . .
C10 C -0.1518(15) 0.3741(19) 0.0840(14) 0.085(2) Uani 1 1 d . . .
C11 C -0.2548(15) 0.4074(19) 0.0519(15) 0.085(2) Uani 1 1 d . . .
C12 C -0.2727(15) 0.5011(19) 0.1236(15) 0.085(2) Uani 1 1 d . . .
C13 C -0.2076(16) 0.5608(19) 0.2104(15) 0.085(2) Uani 1 1 d . . .
H13 H -0.1409 0.543 0.2336 0.102 Uiso 1 1 calc R . .
C14 C -0.2486(15) 0.6482(19) 0.2598(15) 0.085(2) Uani 1 1 d . . .
H14 H -0.2183 0.7014 0.3175 0.102 Uiso 1 1 calc R . .
C15 C -0.3612(15) 0.632(2) 0.1898(16) 0.085(2) Uani 1 1 d . . .
C16 C -0.4302(15) 0.7130(19) 0.2163(14) 0.085(2) Uani 1 1 d . . .
C17 C -0.5285(16) 0.703(2) 0.1489(17) 0.085(2) Uani 1 1 d . . .
C18 C -0.6109(15) 0.7816(19) 0.1757(15) 0.085(2) Uani 1 1 d . . .
H18 H -0.6019 0.8415 0.2297 0.102 Uiso 1 1 calc R . .
C19 C -0.6980(15) 0.7443(18) 0.1041(14) 0.085(2) Uani 1 1 d . . .
H19 H -0.7635 0.7739 0.0998 0.102 Uiso 1 1 calc R . .
C20 C -0.3246(15) 0.3493(19) -0.0338(15) 0.085(2) Uani 1 1 d . . .
C21 C -0.4016(17) 0.7898(19) 0.3080(10) 0.188(8) Uani 1 1 d G . .
C22 C -0.3538(16) 0.883(2) 0.3180(11) 0.188(8) Uani 1 1 d G . .
C23 C -0.3283(17) 0.9647(18) 0.4053(15) 0.188(8) Uani 1 1 d G . .
H23 H -0.2963 1.027 0.412 0.226 Uiso 1 1 calc R . .
C24 C -0.3505(17) 0.9533(19) 0.4827(10) 0.188(8) Uani 1 1 d G . .
C25 C -0.3982(17) 0.860(2) 0.4727(11) 0.188(8) Uani 1 1 d G . .
H25 H -0.4131 0.8525 0.5245 0.226 Uiso 1 1 calc R . .
C26 C -0.4238(17) 0.7784(18) 0.3854(15) 0.188(8) Uani 1 1 d G . .
C27 C -0.317(2) 0.909(3) 0.2417(17) 0.188(8) Uani 1 1 d . . .
H27A H -0.3377 0.8512 0.1825 0.283 Uiso 1 1 calc R . .
H27B H -0.2365 0.9279 0.2567 0.283 Uiso 1 1 calc R . .
H27C H -0.3538 0.9644 0.2387 0.283 Uiso 1 1 calc R . .
C28 C -0.309(2) 1.055(3) 0.5852(17) 0.188(8) Uani 1 1 d . . .
H28A H -0.3309 1.0405 0.6337 0.283 Uiso 1 1 calc R . .
H28B H -0.3445 1.1111 0.5826 0.283 Uiso 1 1 calc R . .
H28C H -0.2285 1.0715 0.5981 0.283 Uiso 1 1 calc R . .
C29 C -0.484(3) 0.682(3) 0.3677(18) 0.188(8) Uani 1 1 d . . .
H29A H -0.4971 0.6377 0.3023 0.283 Uiso 1 1 calc R . .
H29B H -0.5546 0.6916 0.3874 0.283 Uiso 1 1 calc R . .
H29C H -0.4389 0.6513 0.4017 0.283 Uiso 1 1 calc R . .
C30 C 0.112(2) 0.368(2) -0.017(2) 0.147(4) Uani 1 1 d D . .
H30A H 0.0469 0.4024 -0.0214 0.177 Uiso 1 1 calc R . .
H30B H 0.1701 0.3937 -0.0396 0.177 Uiso 1 1 calc R . .
C31 C 0.079(2) 0.254(2) -0.0787(19) 0.147(4) Uani 1 1 d D . .
H31A H 0.1459 0.2197 -0.0809 0.177 Uiso 1 1 calc R . .
H31B H 0.027 0.2259 -0.0528 0.177 Uiso 1 1 calc R . .
C32 C 0.024(2) 0.237(2) -0.176(2) 0.147(4) Uani 1 1 d D . .
H32A H -0.0388 0.2766 -0.1748 0.177 Uiso 1 1 calc R . .
H32B H 0.0778 0.256 -0.2067 0.177 Uiso 1 1 calc R . .
C33 C -0.017(2) 0.126(2) -0.225(2) 0.147(4) Uani 1 1 d . . .
H33A H -0.0576 0.1093 -0.2866 0.221 Uiso 1 1 calc R . .
H33B H -0.0662 0.109 -0.1907 0.221 Uiso 1 1 calc R . .
H33C H 0.0466 0.0893 -0.2276 0.221 Uiso 1 1 calc R . .
C34 C 0.320(2) 0.403(2) 0.117(3) 0.147(4) Uani 1 1 d . . .
H34A H 0.3475 0.4455 0.09 0.177 Uiso 1 1 calc R . .
H34B H 0.3546 0.4324 0.1824 0.177 Uiso 1 1 calc R . .
C35 C 0.3531(19) 0.303(2) 0.071(2) 0.147(4) Uani 1 1 d D . .
H35A H 0.3372 0.2818 0.0045 0.177 Uiso 1 1 calc R . .
H35B H 0.3067 0.2553 0.0833 0.177 Uiso 1 1 calc R . .
C37 C 0.512(2) 0.194(2) 0.045(2) 0.147(4) Uani 1 1 d . . .
H37A H 0.5897 0.1924 0.0677 0.221 Uiso 1 1 calc R . .
H37B H 0.5022 0.1839 -0.0192 0.221 Uiso 1 1 calc R . .
H37C H 0.4652 0.1414 0.0482 0.221 Uiso 1 1 calc R . .
C38 C 0.142(2) 0.523(2) 0.1437(16) 0.147(4) Uani 1 1 d D . .
H38A H 0.1512 0.5475 0.0975 0.177 Uiso 1 1 calc R . .
H38B H 0.0664 0.5296 0.1552 0.177 Uiso 1 1 calc R . .
C39 C 0.2266(19) 0.583(2) 0.2317(17) 0.147(4) Uani 1 1 d D . .
H39A H 0.2456 0.6506 0.237 0.177 Uiso 1 1 calc R . .
H39B H 0.2953 0.5515 0.2303 0.177 Uiso 1 1 calc R . .
C40 C 0.179(2) 0.5900(18) 0.3169(16) 0.147(4) Uani 1 1 d D . .
H40A H 0.1095 0.5436 0.2973 0.177 Uiso 1 1 calc R . .
H40B H 0.233 0.5732 0.3581 0.177 Uiso 1 1 calc R . .
C41 C 0.156(2) 0.7001(18) 0.3670(18) 0.147(4) Uani 1 1 d D . .
H41A H 0.1177 0.7065 0.4167 0.221 Uiso 1 1 calc R . .
H41B H 0.1089 0.7181 0.3234 0.221 Uiso 1 1 calc R . .
H41C H 0.226 0.7444 0.3921 0.221 Uiso 1 1 calc R . .
C42 C 0.061(4) 0.211(3) 0.324(3) 0.227(7) Uani 1 1 d D . .
H42A H 0.1089 0.1608 0.2958 0.273 Uiso 1 1 calc R . .
H42B H 0.1094 0.2733 0.3653 0.273 Uiso 1 1 calc R . .
C43 C -0.001(4) 0.176(3) 0.384(3) 0.227(7) Uani 1 1 d D . .
H43A H -0.054 0.1156 0.3443 0.273 Uiso 1 1 calc R . .
H43B H -0.0416 0.2282 0.4199 0.273 Uiso 1 1 calc R . .
C44 C 0.091(4) 0.153(3) 0.449(3) 0.227(7) Uani 1 1 d D . .
H44A H 0.1304 0.0991 0.4118 0.273 Uiso 1 1 calc R . .
H44B H 0.1461 0.2124 0.4856 0.273 Uiso 1 1 calc R . .
C45 C 0.040(4) 0.120(3) 0.514(3) 0.227(7) Uani 1 1 d D . .
H45A H 0.0989 0.1089 0.5549 0.341 Uiso 1 1 calc R . .
H45B H -0.0117 0.0594 0.4782 0.341 Uiso 1 1 calc R . .
H45C H 0.0001 0.1729 0.5504 0.341 Uiso 1 1 calc R . .
C46 C -0.164(3) 0.275(2) 0.254(3) 0.227(7) Uani 1 1 d D . .
H46A H -0.2116 0.2807 0.2023 0.273 Uiso 1 1 calc R . .
H46B H -0.2055 0.2328 0.2748 0.273 Uiso 1 1 calc R . .
C47 C -0.113(3) 0.380(2) 0.335(2) 0.227(7) Uani 1 1 d D . .
H47A H -0.0677 0.4196 0.3143 0.273 Uiso 1 1 calc R . .
H47B H -0.0687 0.3733 0.3873 0.273 Uiso 1 1 calc R . .
C48 C -0.224(3) 0.425(2) 0.358(3) 0.227(7) Uani 1 1 d D . .
H48A H -0.2682 0.428 0.3038 0.273 Uiso 1 1 calc R . .
H48B H -0.2684 0.3832 0.3771 0.273 Uiso 1 1 calc R . .
C49 C -0.192(3) 0.533(2) 0.438(3) 0.227(7) Uani 1 1 d D . .
H49A H -0.2594 0.5634 0.4515 0.341 Uiso 1 1 calc R . .
H49B H -0.145 0.5739 0.4203 0.341 Uiso 1 1 calc R . .
H49C H -0.1513 0.5299 0.4933 0.341 Uiso 1 1 calc R . .
C50 C -0.075(3) 0.106(2) 0.141(2) 0.227(7) Uani 1 1 d D . .
H50A H -0.0088 0.0715 0.134 0.273 Uiso 1 1 calc R . .
H50B H -0.1233 0.0742 0.1668 0.273 Uiso 1 1 calc R . .
C51 C -0.139(3) 0.085(3) 0.042(3) 0.227(7) Uani 1 1 d D . .
H51A H -0.1942 0.1315 0.0455 0.273 Uiso 1 1 calc R . .
H51B H -0.0869 0.092 0.005 0.273 Uiso 1 1 calc R . .
C52 C -0.198(3) -0.025(3) 0.000(2) 0.227(7) Uani 1 1 d D . .
H52A H -0.1473 -0.0746 -0.0025 0.273 Uiso 1 1 calc R . .
H52B H -0.2614 -0.0338 0.0278 0.273 Uiso 1 1 calc R . .
C53 C -0.234(4) -0.017(3) -0.092(3) 0.227(7) Uani 1 1 d D . .
H53A H -0.2782 -0.079 -0.1376 0.341 Uiso 1 1 calc R . .
H53B H -0.1673 -0.0051 -0.1136 0.341 Uiso 1 1 calc R . .
H53C H -0.2773 0.0379 -0.0827 0.341 Uiso 1 1 calc R . .
C36 C 0.4784(19) 0.295(2) 0.102(2) 0.147(4) Uani 1 1 d D . .
H36A H 0.5253 0.3476 0.0976 0.177 Uiso 1 1 calc R . .
H36B H 0.4923 0.3062 0.1668 0.177 Uiso 1 1 calc R . .
N1 N -0.5726(11) 0.6265(16) 0.0672(13) 0.088(6) Uani 1 1 d . . .
N2 N -0.3660(10) 0.5475(12) 0.1047(10) 0.060(4) Uani 1 1 d . . .
P1 P 0.1643(4) 0.3977(5) 0.1033(6) 0.100(2) Uani 1 1 d . . .
P2 P -0.0284(8) 0.2331(8) 0.2283(8) 0.168(5) Uani 1 1 d D . .
Pt1 Pt 0.07330(7) 0.31233(6) 0.16553(6) 0.0738(4) Uani 1 1 d . . .
Zn1 Zn -0.5 0.5 0 0.0765(11) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.006 0.003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.102 0.094 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.703 8.391 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.284 1.43 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 120 . . ?
C2 C1 C7 127(3) . . ?
C6 C1 C7 113(3) . . ?
C1 C2 C3 120 . . ?
C4 C3 C2 120 . . ?
C3 C4 C5 120 . . ?
C6 C5 C4 120 . . ?
C5 C6 C1 120 . . ?
C8 C7 C1 175(7) . . ?
C7 C8 Pt1 178(5) . . ?
C10 C9 Pt1 168(2) . . ?
C9 C10 C11 176(3) . . ?
C20 C11 C12 128.1(19) . . ?
C20 C11 C10 122(2) . . ?
C12 C11 C10 110.0(19) . . ?
C13 C12 N2 111(2) . . ?
C13 C12 C11 131(2) . . ?
N2 C12 C11 118.6(18) . . ?
C14 C13 C12 114.9(19) . . ?
C13 C14 C15 98.5(19) . . ?
N2 C15 C16 131.4(18) . . ?
N2 C15 C14 111.7(18) . . ?
C16 C15 C14 116(2) . . ?
C21 C16 C17 125(2) . . ?
C21 C16 C15 118.0(18) . . ?
C17 C16 C15 116(2) . . ?
N1 C17 C16 130(2) . . ?
N1 C17 C18 110.2(17) . . ?
C16 C17 C18 119(2) . . ?
C19 C18 C17 104(2) . . ?
C18 C19 C20 109.6(19) . 2_465 ?
C11 C20 N1 125(2) . 2_465 ?
C11 C20 C19 125.9(19) . 2_465 ?
N1 C20 C19 109.0(19) 2_465 2_465 ?
C22 C21 C26 120 . . ?
C22 C21 C16 116(2) . . ?
C26 C21 C16 124(2) . . ?
C21 C22 C23 120 . . ?
C21 C22 C27 128(2) . . ?
C23 C22 C27 112(2) . . ?
C22 C23 C24 120 . . ?
C23 C24 C25 120 . . ?
C23 C24 C28 116(2) . . ?
C25 C24 C28 124(2) . . ?
C26 C25 C24 120 . . ?
C25 C26 C21 120 . . ?
C25 C26 C29 123(2) . . ?
C21 C26 C29 116(2) . . ?
C31 C30 P1 113.5(19) . . ?
C32 C31 C30 109(2) . . ?
C33 C32 C31 104(2) . . ?
C35 C34 P1 112(2) . . ?
C34 C35 C36 115(3) . . ?
C39 C38 P1 108.6(18) . . ?
C38 C39 C40 110.7(16) . . ?
C41 C40 C39 106.3(15) . . ?
C43 C42 P2 118(3) . . ?
C42 C43 C44 107(3) . . ?
C45 C44 C43 112(3) . . ?
C47 C46 P2 96.0(19) . . ?
C46 C47 C48 100(2) . . ?
C49 C48 C47 108.9(17) . . ?
C51 C50 P2 121(3) . . ?
C52 C51 C50 105.5(16) . . ?
C53 C52 C51 88(3) . . ?
C37 C36 C35 113(3) . . ?
C17 N1 C20 107(2) . 2_465 ?
C17 N1 Zn1 126.5(13) . . ?
C20 N1 Zn1 126.5(16) 2_465 . ?
C15 N2 C12 103.2(15) . . ?
C15 N2 Zn1 123.0(12) . . ?
C12 N2 Zn1 132.3(15) . . ?
C38 P1 C30 94.8(12) . . ?
C38 P1 C34 104.1(13) . . ?
C30 P1 C34 105.3(15) . . ?
C38 P1 Pt1 113.3(10) . . ?
C30 P1 Pt1 117.2(10) . . ?
C34 P1 Pt1 118.8(9) . . ?
C50 P2 C46 100.5(15) . . ?
C50 P2 C42 101.6(19) . . ?
C46 P2 C42 113.6(18) . . ?
C50 P2 Pt1 107.2(13) . . ?
C46 P2 Pt1 118.1(13) . . ?
C42 P2 Pt1 113.1(13) . . ?
C8 Pt1 C9 173.9(18) . . ?
C8 Pt1 P1 90.9(16) . . ?
C9 Pt1 P1 87.5(6) . . ?
C8 Pt1 P2 92.5(16) . . ?
C9 Pt1 P2 89.0(6) . . ?
P1 Pt1 P2 176.0(2) . . ?
N2 Zn1 N2 180.0(7) 2_465 . ?
N2 Zn1 N1 91.2(7) 2_465 2_465 ?
N2 Zn1 N1 88.8(7) . 2_465 ?
N2 Zn1 N1 88.8(7) 2_465 . ?
N2 Zn1 N1 91.2(7) . . ?
N1 Zn1 N1 180.0(11) 2_465 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C1 C7 1.47(3) . ?
C2 C3 1.39 . ?
C3 C4 1.39 . ?
C4 C5 1.39 . ?
C5 C6 1.39 . ?
C7 C8 1.19(4) . ?
C8 Pt1 1.94(3) . ?
C9 C10 1.17(3) . ?
C9 Pt1 2.012(19) . ?
C10 C11 1.46(3) . ?
C11 C20 1.38(3) . ?
C11 C12 1.43(3) . ?
C12 C13 1.38(3) . ?
C12 N2 1.40(2) . ?
C13 C14 1.37(3) . ?
C14 C15 1.56(3) . ?
C15 N2 1.40(3) . ?
C15 C16 1.45(3) . ?
C16 C21 1.41(3) . ?
C16 C17 1.43(3) . ?
C17 N1 1.33(3) . ?
C17 C18 1.53(3) . ?
C18 C19 1.33(2) . ?
C19 C20 1.45(3) 2_465 ?
C20 N1 1.40(2) 2_465 ?
C20 C19 1.45(3) 2_465 ?
C21 C22 1.39 . ?
C21 C26 1.39 . ?
C22 C23 1.39 . ?
C22 C27 1.55(4) . ?
C23 C24 1.39 . ?
C24 C25 1.39 . ?
C24 C28 1.68(3) . ?
C25 C26 1.39 . ?
C26 C29 1.45(4) . ?
C30 C31 1.541(18) . ?
C30 P1 1.79(3) . ?
C31 C32 1.518(18) . ?
C32 C33 1.50(4) . ?
C34 C35 1.45(4) . ?
C34 P1 1.85(3) . ?
C35 C36 1.541(17) . ?
C37 C36 1.50(4) . ?
C38 C39 1.492(17) . ?
C38 P1 1.73(3) . ?
C39 C40 1.543(17) . ?
C40 C41 1.541(17) . ?
C42 C43 1.529(19) . ?
C42 P2 1.88(4) . ?
C43 C44 1.555(19) . ?
C44 C45 1.515(18) . ?
C46 C47 1.550(19) . ?
C46 P2 1.84(3) . ?
C47 C48 1.553(18) . ?
C48 C49 1.550(19) . ?
C50 C51 1.551(19) . ?
C50 P2 1.79(3) . ?
C51 C52 1.548(19) . ?
C52 C53 1.532(19) . ?
N1 C20 1.40(2) 2_465 ?
N1 Zn1 2.048(19) . ?
N2 Zn1 1.994(13) . ?
P1 Pt1 2.247(6) . ?
P2 Pt1 2.264(8) . ?
Zn1 N2 1.994(13) 2_465 ?
Zn1 N1 2.048(19) 2_465 ?
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
C6 C1 C2 C3 0 . . . . ?
C7 C1 C2 C3 177(3) . . . . ?
C1 C2 C3 C4 0 . . . . ?
C2 C3 C4 C5 0 . . . . ?
C3 C4 C5 C6 0 . . . . ?
C4 C5 C6 C1 0 . . . . ?
C2 C1 C6 C5 0 . . . . ?
C7 C1 C6 C5 -177(3) . . . . ?
C2 C1 C7 C8 0E1(5) . . . . ?
C6 C1 C7 C8 -18E1(10) . . . . ?
C1 C7 C8 Pt1 -2E1(10) . . . . ?
Pt1 C9 C10 C11 -17E1(2) . . . . ?
C9 C10 C11 C20 -2E1(3) . . . . ?
C9 C10 C11 C12 15E1(3) . . . . ?
C20 C11 C12 C13 179(2) . . . . ?
C10 C11 C12 C13 3(3) . . . . ?
C20 C11 C12 N2 -7(3) . . . . ?
C10 C11 C12 N2 177.8(16) . . . . ?
N2 C12 C13 C14 2(2) . . . . ?
C11 C12 C13 C14 178(2) . . . . ?
C12 C13 C14 C15 4(2) . . . . ?
C13 C14 C15 N2 -9(2) . . . . ?
C13 C14 C15 C16 -177.8(18) . . . . ?
N2 C15 C16 C21 -178(2) . . . . ?
C14 C15 C16 C21 -11(3) . . . . ?
N2 C15 C16 C17 8(3) . . . . ?
C14 C15 C16 C17 174.3(16) . . . . ?
C21 C16 C17 N1 -168(2) . . . . ?
C15 C16 C17 N1 6(3) . . . . ?
C21 C16 C17 C18 1(3) . . . . ?
C15 C16 C17 C18 174.5(17) . . . . ?
N1 C17 C18 C19 -1(2) . . . . ?
C16 C17 C18 C19 -172.2(18) . . . . ?
C17 C18 C19 C20 -2(2) . . . 2_465 ?
C12 C11 C20 N1 1(3) . . . 2_465 ?
C10 C11 C20 N1 176.3(18) . . . 2_465 ?
C12 C11 C20 C19 179(2) . . . 2_465 ?
C10 C11 C20 C19 -5(3) . . . 2_465 ?
C17 C16 C21 C22 -78(2) . . . . ?
C15 C16 C21 C22 107.7(19) . . . . ?
C17 C16 C21 C26 98(2) . . . . ?
C15 C16 C21 C26 -76(2) . . . . ?
C26 C21 C22 C23 0 . . . . ?
C16 C21 C22 C23 176.7(17) . . . . ?
C26 C21 C22 C27 176(2) . . . . ?
C16 C21 C22 C27 -7(2) . . . . ?
C21 C22 C23 C24 0 . . . . ?
C27 C22 C23 C24 -176.9(18) . . . . ?
C22 C23 C24 C25 0 . . . . ?
C22 C23 C24 C28 176.5(17) . . . . ?
C23 C24 C25 C26 0 . . . . ?
C28 C24 C25 C26 -176.2(18) . . . . ?
C24 C25 C26 C21 0 . . . . ?
C24 C25 C26 C29 -174(2) . . . . ?
C22 C21 C26 C25 0 . . . . ?
C16 C21 C26 C25 -176.4(18) . . . . ?
C22 C21 C26 C29 174(2) . . . . ?
C16 C21 C26 C29 -2(2) . . . . ?
P1 C30 C31 C32 173.5(19) . . . . ?
C30 C31 C32 C33 -173(2) . . . . ?
P1 C34 C35 C36 -163(2) . . . . ?
P1 C38 C39 C40 -91(2) . . . . ?
C38 C39 C40 C41 -109(2) . . . . ?
P2 C42 C43 C44 174(3) . . . . ?
C42 C43 C44 C45 178(3) . . . . ?
P2 C46 C47 C48 177(3) . . . . ?
C46 C47 C48 C49 -179(3) . . . . ?
P2 C50 C51 C52 -162(2) . . . . ?
C50 C51 C52 C53 -174(3) . . . . ?
C34 C35 C36 C37 -172(3) . . . . ?
C16 C17 N1 C20 173(2) . . . 2_465 ?
C18 C17 N1 C20 4(2) . . . 2_465 ?
C16 C17 N1 Zn1 -9(3) . . . . ?
C18 C17 N1 Zn1 -178.6(12) . . . . ?
C16 C15 N2 C12 177(2) . . . . ?
C14 C15 N2 C12 10(2) . . . . ?
C16 C15 N2 Zn1 -16(3) . . . . ?
C14 C15 N2 Zn1 177.6(11) . . . . ?
C13 C12 N2 C15 -8(2) . . . . ?
C11 C12 N2 C15 176.4(18) . . . . ?
C13 C12 N2 Zn1 -173.5(12) . . . . ?
C11 C12 N2 Zn1 11(3) . . . . ?
C39 C38 P1 C30 -151.4(17) . . . . ?
C39 C38 P1 C34 -44(2) . . . . ?
C39 C38 P1 Pt1 86.2(16) . . . . ?
C31 C30 P1 C38 -161(2) . . . . ?
C31 C30 P1 C34 93(2) . . . . ?
C31 C30 P1 Pt1 -42(2) . . . . ?
C35 C34 P1 C38 -170(2) . . . . ?
C35 C34 P1 C30 -71(3) . . . . ?
C35 C34 P1 Pt1 63(3) . . . . ?
C51 C50 P2 C46 71(3) . . . . ?
C51 C50 P2 C42 -172(3) . . . . ?
C51 C50 P2 Pt1 -53(3) . . . . ?
C47 C46 P2 C50 175(3) . . . . ?
C47 C46 P2 C42 67(3) . . . . ?
C47 C46 P2 Pt1 -69(3) . . . . ?
C43 C42 P2 C50 -76(3) . . . . ?
C43 C42 P2 C46 31(4) . . . . ?
C43 C42 P2 Pt1 169(3) . . . . ?
C7 C8 Pt1 C9 -17E1(10) . . . . ?
C7 C8 Pt1 P1 -10E1(10) . . . . ?
C7 C8 Pt1 P2 9E1(10) . . . . ?
C10 C9 Pt1 C8 -3(18) . . . . ?
C10 C9 Pt1 P1 -77(9) . . . . ?
C10 C9 Pt1 P2 101(9) . . . . ?
C38 P1 Pt1 C8 -112.0(18) . . . . ?
C30 P1 Pt1 C8 139.1(18) . . . . ?
C34 P1 Pt1 C8 11(2) . . . . ?
C38 P1 Pt1 C9 62.1(11) . . . . ?
C30 P1 Pt1 C9 -46.8(12) . . . . ?
C34 P1 Pt1 C9 -175.2(15) . . . . ?
C38 P1 Pt1 P2 34(6) . . . . ?
C30 P1 Pt1 P2 -75(6) . . . . ?
C34 P1 Pt1 P2 157(5) . . . . ?
C50 P2 Pt1 C8 -102(2) . . . . ?
C46 P2 Pt1 C8 145(2) . . . . ?
C42 P2 Pt1 C8 9(2) . . . . ?
C50 P2 Pt1 C9 83.5(15) . . . . ?
C46 P2 Pt1 C9 -29.1(15) . . . . ?
C42 P2 Pt1 C9 -165.3(16) . . . . ?
C50 P2 Pt1 P1 111(5) . . . . ?
C46 P2 Pt1 P1 -1(6) . . . . ?
C42 P2 Pt1 P1 -138(5) . . . . ?
C15 N2 Zn1 N2 -7E1(10) . . . 2_465 ?
C12 N2 Zn1 N2 10E1(10) . . . 2_465 ?
C15 N2 Zn1 N1 -171.0(14) . . . 2_465 ?
C12 N2 Zn1 N1 -7.6(15) . . . 2_465 ?
C15 N2 Zn1 N1 9.0(14) . . . . ?
C12 N2 Zn1 N1 172.4(15) . . . . ?
C17 N1 Zn1 N2 -178.5(17) . . . 2_465 ?
C20 N1 Zn1 N2 -1.5(16) 2_465 . . 2_465 ?
C17 N1 Zn1 N2 1.5(17) . . . . ?
C20 N1 Zn1 N2 178.5(16) 2_465 . . . ?
C17 N1 Zn1 N1 13E1(10) . . . 2_465 ?
C20 N1 Zn1 N1 -6E1(10) 2_465 . . 2_465 ?
