#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:30:25 +0300 (Fri, 05 May 2023) $
#$Revision: 283328 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/24/7712440.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_7712440
loop_
_publ_author_name
'Stephens, Liam J.'
'Dallerba, Elena'
'Kelderman, Jenisi T. A.'
'Levina, Aviva'
'Werrett, Melissa V.'
'Lay, Peter A.'
'Massi, Massimiliano'
'Andrews, Philip C.'
_publ_section_title
;
 Synthesis and the photophysical and biological properties of tricarbonyl
 Re(I) diimine complexes bound to thiotetrazolato ligands.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4835
_journal_page_last               4848
_journal_paper_doi               10.1039/d2dt03237f
_journal_volume                  52
_journal_year                    2023
_chemical_formula_sum            'C91 H156 N4 Ni5.82 O23 Pt6.18'
_chemical_formula_weight         3221.88
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.409(5)
_cell_length_b                   25.656(7)
_cell_length_c                   24.249(6)
_cell_measurement_reflns_used    9824
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.725
_cell_measurement_theta_min      2.1955
_cell_volume                     10831(5)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1330
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            79829
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         1.414
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    9.001
_exptl_absorpt_correction_T_max  0.0326
_exptl_absorpt_correction_T_min  0.0036
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1858 (selected reflections only, before parameter refinement)
 R(int) = 0.1084 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_description       prism
_exptl_crystal_F_000             6236
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_refine_diff_density_max         3.952
_refine_diff_density_min         -2.626
_refine_diff_density_rms         0.376
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         9569
_refine_ls_number_restraints     302
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0967
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1181P)²+346.4885P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2399
_refine_ls_wR_factor_ref         0.2643
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6972
_reflns_number_total             9569
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03237f2.cif
_cod_data_source_block           Ni582Pt618
_cod_depositor_comments
'Adding full bibliography for 7712436--7712441.cif.'
_cod_original_cell_volume        10830(5)
_cod_database_code               7712440
_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   0.294
_shelx_estimated_absorpt_t_max   0.387
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, 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 0.5000 0.33311(4) 0.2500 0.0366(3) Uani 1 2 d S T P A .
Pt2 Pt 0.57299(4) 0.23761(3) 0.22513(3) 0.0381(3) Uani 1 1 d . . . . .
Pt3 Pt 0.63846(8) 0.29112(5) 0.32348(5) 0.0472(5) Uani 0.508(7) 1 d . . P A 1
Pt4 Pt 0.55530(7) 0.21040(5) 0.35043(5) 0.0449(5) Uani 0.449(7) 1 d . . P A 1
Pt5 Pt 0.50355(8) 0.30501(5) 0.36776(6) 0.0468(6) Uani 0.424(7) 1 d . . P A 1
Pt6 Pt 0.63586(11) 0.32701(7) 0.20657(7) 0.0424(8) Uani 0.158(6) 1 d . . P A 1
Pt7 Pt 0.5000 0.15395(13) 0.2500 0.0475(14) Uani 0.104(9) 2 d S T P A 1
Ni3 Ni 0.63846(8) 0.29112(5) 0.32348(5) 0.0472(5) Uani 0.492(7) 1 d . . P A 2
Ni4 Ni 0.55530(7) 0.21040(5) 0.35043(5) 0.0449(5) Uani 0.551(7) 1 d . . P A 2
Ni5 Ni 0.50355(8) 0.30501(5) 0.36776(6) 0.0468(6) Uani 0.576(7) 1 d . . P A 2
Ni6 Ni 0.63586(11) 0.32701(7) 0.20657(7) 0.0424(8) Uani 0.842(6) 1 d . . P A 2
Ni7 Ni 0.5000 0.15395(13) 0.2500 0.0475(14) Uani 0.896(9) 2 d S T P A 2
C1 C 0.4373(13) 0.3463(9) 0.4000(9) 0.053(5) Uani 1 1 d . U . . .
C2 C 0.5869(12) 0.3519(9) 0.3599(9) 0.050(5) Uani 1 1 d . . . . .
C3 C 0.4779(11) 0.2391(7) 0.4007(9) 0.042(4) Uani 1 1 d . . . . .
C4 C 0.5446(13) 0.1440(9) 0.3656(9) 0.050(5) Uani 1 1 d . U . . .
C5 C 0.6666(13) 0.2154(9) 0.3321(9) 0.050(5) Uani 1 1 d . U . . .
C6 C 0.6033(12) 0.1638(7) 0.2190(8) 0.040(4) Uani 1 1 d . U . . .
C7 C 0.6674(11) 0.2574(9) 0.1872(9) 0.048(5) Uani 1 1 d . . . . .
C8 C 0.7174(14) 0.3562(9) 0.1823(9) 0.055(5) Uani 1 1 d . U . . .
C9 C 0.5755(10) 0.3866(8) 0.2297(7) 0.036(4) Uani 1 1 d . U . . .
C10 C 0.7272(19) 0.3195(10) 0.3112(10) 0.067(7) Uani 1 1 d . . . . .
C11 C 0.5000 0.0863(19) 0.2500 0.081(11) Uani 1 2 d S TU P . .
O1 O 0.3991(13) 0.3721(10) 0.4273(8) 0.097(7) Uani 1 1 d . . . . .
O2 O 0.6063(11) 0.3930(6) 0.3746(6) 0.067(5) Uani 1 1 d . . . . .
O3 O 0.4388(11) 0.2236(7) 0.4369(7) 0.073(5) Uani 1 1 d . . . . .
O4 O 0.5421(9) 0.1030(7) 0.3810(7) 0.060(4) Uani 1 1 d . . . . .
O5 O 0.7166(8) 0.1902(7) 0.3334(8) 0.066(5) Uani 1 1 d . . . . .
O6 O 0.6534(9) 0.1370(6) 0.2039(7) 0.058(4) Uani 1 1 d . U . . .
O7 O 0.7193(8) 0.2390(6) 0.1632(7) 0.056(4) Uani 1 1 d . U . . .
O8 O 0.7734(11) 0.3713(7) 0.1660(9) 0.080(5) Uani 1 1 d . . . . .
O9 O 0.5840(8) 0.4317(6) 0.2302(6) 0.050(3) Uani 1 1 d . . . . .
O10 O 0.7867(13) 0.3395(7) 0.3111(8) 0.079(5) Uani 1 1 d . . . . .
O11 O 0.5000 0.0428(13) 0.2500 0.091(9) Uani 1 2 d S TU P A .
N1 N 0.7603(10) 0.5143(6) 0.3253(6) 0.056(3) Uani 1 1 d D U . . .
C101 C 0.8070(10) 0.4677(8) 0.3390(9) 0.055(4) Uani 1 1 d D U . . .
H10A H 0.7923 0.4392 0.3135 0.067 Uiso 1 1 calc R U . . .
H10B H 0.7937 0.4563 0.3768 0.067 Uiso 1 1 calc R U . . .
C102 C 0.8934(11) 0.4750(9) 0.3358(10) 0.061(4) Uani 1 1 d D U . . .
H10C H 0.9066 0.4922 0.3005 0.074 Uiso 1 1 calc R U . . .
H10D H 0.9102 0.4981 0.3662 0.074 Uiso 1 1 calc R U . . .
C103 C 0.9361(12) 0.4237(9) 0.3397(11) 0.069(5) Uani 1 1 d D U . . .
H10E H 0.9216 0.4011 0.3083 0.083 Uiso 1 1 calc R U . . .
H10F H 0.9216 0.4056 0.3742 0.083 Uiso 1 1 calc R U . . .
C104 C 1.0225(13) 0.4333(12) 0.3390(12) 0.083(7) Uani 1 1 d D U . . .
H10G H 1.0496 0.3999 0.3415 0.125 Uiso 1 1 calc R U . . .
H10H H 1.0368 0.4508 0.3045 0.125 Uiso 1 1 calc R U . . .
H10I H 1.0368 0.4553 0.3703 0.125 Uiso 1 1 calc R U . . .
C105 C 0.7760(16) 0.5330(9) 0.2682(7) 0.067(4) Uani 1 1 d D U . . .
H10J H 0.8292 0.5465 0.2668 0.081 Uiso 1 1 calc R U . . .
H10K H 0.7411 0.5625 0.2601 0.081 Uiso 1 1 calc R U . . .
C106 C 0.7664(18) 0.4920(10) 0.2231(8) 0.084(5) Uani 1 1 d D U . . .
H10L H 0.7155 0.4750 0.2259 0.101 Uiso 1 1 calc R U . . .
H10M H 0.8067 0.4650 0.2262 0.101 Uiso 1 1 calc R U . . .
C107 C 0.774(2) 0.5215(12) 0.1683(9) 0.098(6) Uani 1 1 d D U . . .
H10N H 0.7438 0.5542 0.1710 0.118 Uiso 1 1 calc R U . . .
H10O H 0.8283 0.5313 0.1632 0.118 Uiso 1 1 calc R U . . .
C108 C 0.748(2) 0.4926(15) 0.1184(12) 0.120(9) Uani 1 1 d D U . . .
H10P H 0.7548 0.5146 0.0857 0.180 Uiso 1 1 calc R U . . .
H10Q H 0.7782 0.4607 0.1143 0.180 Uiso 1 1 calc R U . . .
H10R H 0.6934 0.4836 0.1222 0.180 Uiso 1 1 calc R U . . .
C109 C 0.6784(10) 0.4976(8) 0.3321(9) 0.057(4) Uani 1 1 d D U . . .
H10S H 0.6722 0.4829 0.3696 0.068 Uiso 1 1 calc R U . . .
H10T H 0.6681 0.4692 0.3055 0.068 Uiso 1 1 calc R U . . .
C110 C 0.6179(11) 0.5398(9) 0.3240(9) 0.059(4) Uani 1 1 d D U . . .
H11A H 0.6191 0.5522 0.2853 0.071 Uiso 1 1 calc R U . . .
H11B H 0.6294 0.5698 0.3483 0.071 Uiso 1 1 calc R U . . .
C111 C 0.5383(11) 0.5184(9) 0.3374(10) 0.062(4) Uani 1 1 d D U . . .
H11C H 0.5275 0.4884 0.3129 0.074 Uiso 1 1 calc R U . . .
H11D H 0.5382 0.5055 0.3759 0.074 Uiso 1 1 calc R U . . .
C112 C 0.4747(14) 0.5584(10) 0.3308(10) 0.068(6) Uani 1 1 d D U . . .
H11E H 0.4253 0.5424 0.3400 0.103 Uiso 1 1 calc R U . . .
H11F H 0.4843 0.5879 0.3556 0.103 Uiso 1 1 calc R U . . .
H11G H 0.4737 0.5708 0.2926 0.103 Uiso 1 1 calc R U . . .
C113 C 0.7792(14) 0.5590(8) 0.3619(7) 0.061(4) Uani 1 1 d D U . . .
H11H H 0.7486 0.5894 0.3496 0.073 Uiso 1 1 calc R U . . .
H11I H 0.8340 0.5679 0.3564 0.073 Uiso 1 1 calc R U . . .
C114 C 0.7656(15) 0.5514(9) 0.4235(8) 0.069(4) Uani 1 1 d D U . . .
H11J H 0.7118 0.5405 0.4300 0.083 Uiso 1 1 calc R U . . .
H11K H 0.8000 0.5238 0.4378 0.083 Uiso 1 1 calc R U . . .
C115 C 0.7814(17) 0.6023(10) 0.4533(9) 0.077(5) Uani 1 1 d D U . . .
H11L H 0.8350 0.6134 0.4464 0.093 Uiso 1 1 calc R U . . .
H11M H 0.7467 0.6298 0.4392 0.093 Uiso 1 1 calc R U . . .
C116 C 0.7689(18) 0.5952(13) 0.5148(10) 0.091(7) Uani 1 1 d D U . . .
H11N H 0.7792 0.6282 0.5338 0.136 Uiso 1 1 calc R U . . .
H11O H 0.7157 0.5846 0.5215 0.136 Uiso 1 1 calc R U . . .
H11P H 0.8038 0.5683 0.5287 0.136 Uiso 1 1 calc R U . . .
N2 N 0.7864(8) 0.1894(6) 0.0139(6) 0.049(3) Uani 1 1 d D U . . .
C201 C 0.7275(11) 0.1610(8) 0.0466(8) 0.051(4) Uani 1 1 d D U . . .
H20A H 0.6876 0.1863 0.0580 0.061 Uiso 1 1 calc R U . . .
H20B H 0.7523 0.1477 0.0806 0.061 Uiso 1 1 calc R U . . .
C202 C 0.6880(11) 0.1157(8) 0.0183(8) 0.052(4) Uani 1 1 d D U . . .
H20C H 0.6683 0.1271 -0.0181 0.062 Uiso 1 1 calc R U . . .
H20D H 0.7255 0.0873 0.0121 0.062 Uiso 1 1 calc R U . . .
C203 C 0.6225(11) 0.0959(8) 0.0530(8) 0.053(4) Uani 1 1 d D U . . .
H20E H 0.5835 0.1237 0.0570 0.063 Uiso 1 1 calc R U . . .
H20F H 0.6417 0.0869 0.0902 0.063 Uiso 1 1 calc R U . . .
C204 C 0.5856(13) 0.0483(8) 0.0273(10) 0.062(5) Uani 1 1 d D U . . .
H20G H 0.5432 0.0363 0.0508 0.093 Uiso 1 1 calc R U . . .
H20H H 0.5657 0.0572 -0.0093 0.093 Uiso 1 1 calc R U . . .
H20I H 0.6239 0.0205 0.0239 0.093 Uiso 1 1 calc R U . . .
C205 C 0.8474(11) 0.1524(8) -0.0048(7) 0.047(3) Uani 1 1 d D U . . .
H20J H 0.8846 0.1720 -0.0276 0.057 Uiso 1 1 calc R U . . .
H20K H 0.8231 0.1260 -0.0289 0.057 Uiso 1 1 calc R U . . .
C206 C 0.8916(12) 0.1240(8) 0.0402(7) 0.051(4) Uani 1 1 d D U . . .
H20L H 0.8548 0.1079 0.0663 0.061 Uiso 1 1 calc R U . . .
H20M H 0.9232 0.1494 0.0610 0.061 Uiso 1 1 calc R U . . .
C207 C 0.9435(12) 0.0819(8) 0.0161(9) 0.056(4) Uani 1 1 d D U . . .
H20N H 0.9717 0.0963 -0.0159 0.067 Uiso 1 1 calc R U . . .
H20O H 0.9818 0.0714 0.0442 0.067 Uiso 1 1 calc R U . . .
C208 C 0.8983(14) 0.0342(8) -0.0022(9) 0.064(6) Uani 1 1 d D U . . .
H20P H 0.9336 0.0082 -0.0174 0.095 Uiso 1 1 calc R U . . .
H20Q H 0.8711 0.0194 0.0295 0.095 Uiso 1 1 calc R U . . .
H20R H 0.8610 0.0444 -0.0305 0.095 Uiso 1 1 calc R U . . .
C209 C 0.8206(11) 0.2300(8) 0.0500(8) 0.049(3) Uani 1 1 d D U . . .
H20S H 0.8438 0.2125 0.0824 0.059 Uiso 1 1 calc R U . . .
H20T H 0.7786 0.2526 0.0637 0.059 Uiso 1 1 calc R U . . .
C210 C 0.8811(11) 0.2643(8) 0.0237(8) 0.051(4) Uani 1 1 d D U . . .
H21A H 0.8579 0.2842 -0.0071 0.061 Uiso 1 1 calc R U . . .
H21B H 0.9226 0.2423 0.0084 0.061 Uiso 1 1 calc R U . . .
C211 C 0.9148(12) 0.3023(8) 0.0661(8) 0.056(4) Uani 1 1 d D U . . .
H21C H 0.8727 0.3226 0.0832 0.068 Uiso 1 1 calc R U . . .
H21D H 0.9408 0.2824 0.0956 0.068 Uiso 1 1 calc R U . . .
C212 C 0.9718(14) 0.3394(9) 0.0394(10) 0.067(6) Uani 1 1 d D U . . .
H21E H 0.9923 0.3631 0.0674 0.100 Uiso 1 1 calc R U . . .
H21F H 1.0139 0.3193 0.0231 0.100 Uiso 1 1 calc R U . . .
H21G H 0.9458 0.3596 0.0106 0.100 Uiso 1 1 calc R U . . .
C213 C 0.7533(12) 0.2122(8) -0.0374(7) 0.054(4) Uani 1 1 d D U . . .
H21H H 0.7287 0.1840 -0.0589 0.064 Uiso 1 1 calc R U . . .
H21I H 0.7959 0.2263 -0.0600 0.064 Uiso 1 1 calc R U . . .
C214 C 0.6947(12) 0.2553(9) -0.0285(8) 0.059(4) Uani 1 1 d D U . . .
H21J H 0.6613 0.2461 0.0032 0.071 Uiso 1 1 calc R U . . .
H21K H 0.7217 0.2881 -0.0194 0.071 Uiso 1 1 calc R U . . .
C215 C 0.6455(13) 0.2634(10) -0.0792(9) 0.066(5) Uani 1 1 d D U . . .
H21L H 0.6182 0.2306 -0.0880 0.079 Uiso 1 1 calc R U . . .
H21M H 0.6791 0.2720 -0.1109 0.079 Uiso 1 1 calc R U . . .
C216 C 0.5871(14) 0.3069(11) -0.0713(11) 0.077(7) Uani 1 1 d D U . . .
H21N H 0.5566 0.3109 -0.1049 0.116 Uiso 1 1 calc R U . . .
H21O H 0.5532 0.2982 -0.0404 0.116 Uiso 1 1 calc R U . . .
H21P H 0.6140 0.3396 -0.0633 0.116 Uiso 1 1 calc R U . . .
C301 C 0.895(2) 0.2081(14) 0.2083(14) 0.095(7) Uani 1 1 d . U . . .
O301 O 0.9340(14) 0.2022(9) 0.1697(10) 0.101(6) Uani 1 1 d . U . . .
C302 C 0.847(2) 0.1673(14) 0.2323(15) 0.108(9) Uani 1 1 d . U . . .
H30A H 0.8201 0.1812 0.2644 0.161 Uiso 1 1 calc R U . . .
H30B H 0.8102 0.1552 0.2048 0.161 Uiso 1 1 calc R U . . .
H30C H 0.8800 0.1380 0.2437 0.161 Uiso 1 1 calc R U . . .
C303 C 0.891(3) 0.2584(15) 0.2339(16) 0.110(9) Uani 1 1 d . U . . .
H30D H 0.8565 0.2568 0.2656 0.166 Uiso 1 1 calc R U . . .
H30E H 0.9426 0.2688 0.2463 0.166 Uiso 1 1 calc R U . . .
H30F H 0.8719 0.2839 0.2072 0.166 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'
Ni Ni 0.3393 1.1124 '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
_geom_angle_publ_flag
C9 Pt1 C9 91.2(11) 3_655 . ?
C9 Pt1 Ni6 47.9(6) 3_655 3_655 ?
C9 Pt1 Ni6 139.0(6) . 3_655 ?
C9 Pt1 Pt6 47.9(6) 3_655 3_655 ?
C9 Pt1 Pt6 139.0(6) . 3_655 ?
C9 Pt1 Pt6 139.0(6) 3_655 . ?
C9 Pt1 Pt6 47.9(6) . . ?
Pt6 Pt1 Pt6 173.09(9) 3_655 . ?
C9 Pt1 Ni6 139.0(6) 3_655 . ?
C9 Pt1 Ni6 47.9(6) . . ?
Ni6 Pt1 Ni6 173.09(9) 3_655 . ?
C9 Pt1 Pt2 164.0(6) 3_655 . ?
C9 Pt1 Pt2 104.6(6) . . ?
Ni6 Pt1 Pt2 116.40(6) 3_655 . ?
Pt6 Pt1 Pt2 116.40(6) 3_655 . ?
Pt6 Pt1 Pt2 56.69(5) . . ?
Ni6 Pt1 Pt2 56.69(5) . . ?
C9 Pt1 Pt2 104.6(6) 3_655 3_655 ?
C9 Pt1 Pt2 164.0(6) . 3_655 ?
Ni6 Pt1 Pt2 56.69(5) 3_655 3_655 ?
Pt6 Pt1 Pt2 56.69(5) 3_655 3_655 ?
Pt6 Pt1 Pt2 116.39(6) . 3_655 ?
Ni6 Pt1 Pt2 116.39(6) . 3_655 ?
Pt2 Pt1 Pt2 59.72(4) . 3_655 ?
C9 Pt1 Ni5 113.6(5) 3_655 3_655 ?
C9 Pt1 Ni5 86.7(5) . 3_655 ?
Ni6 Pt1 Ni5 111.08(5) 3_655 3_655 ?
Ni6 Pt1 Ni5 67.10(5) . 3_655 ?
Pt2 Pt1 Ni5 65.82(3) . 3_655 ?
Pt2 Pt1 Ni5 89.16(4) 3_655 3_655 ?
C9 Pt1 Pt5 113.6(5) 3_655 3_655 ?
C9 Pt1 Pt5 86.7(5) . 3_655 ?
Pt6 Pt1 Pt5 111.08(5) 3_655 3_655 ?
Pt6 Pt1 Pt5 67.10(5) . 3_655 ?
Pt2 Pt1 Pt5 65.82(3) . 3_655 ?
Pt2 Pt1 Pt5 89.16(4) 3_655 3_655 ?
C9 Pt1 Pt5 86.7(5) 3_655 . ?
C9 Pt1 Pt5 113.6(5) . . ?
Pt6 Pt1 Pt5 67.09(5) 3_655 . ?
Pt6 Pt1 Pt5 111.08(5) . . ?
Pt2 Pt1 Pt5 89.16(4) . . ?
Pt2 Pt1 Pt5 65.81(3) 3_655 . ?
Pt5 Pt1 Pt5 151.68(7) 3_655 . ?
C9 Pt1 Ni5 86.7(5) 3_655 . ?
C9 Pt1 Ni5 113.6(5) . . ?
Ni6 Pt1 Ni5 67.09(5) 3_655 . ?
Ni6 Pt1 Ni5 111.08(5) . . ?
Pt2 Pt1 Ni5 89.16(4) . . ?
Pt2 Pt1 Ni5 65.81(3) 3_655 . ?
Ni5 Pt1 Ni5 151.68(7) 3_655 . ?
C7 Pt2 C6 89.3(9) . . ?
C7 Pt2 Ni7 138.2(7) . . ?
C6 Pt2 Ni7 49.2(6) . . ?
C7 Pt2 Pt7 138.2(7) . . ?
C6 Pt2 Pt7 49.2(6) . . ?
C7 Pt2 Ni6 47.9(7) . . ?
C6 Pt2 Ni6 136.6(6) . . ?
Ni7 Pt2 Ni6 173.86(6) . . ?
C7 Pt2 Pt6 47.9(7) . . ?
C6 Pt2 Pt6 136.6(6) . . ?
Pt7 Pt2 Pt6 173.86(6) . . ?
C7 Pt2 Pt2 164.5(7) . 3_655 ?
C6 Pt2 Pt2 105.9(6) . 3_655 ?
Ni7 Pt2 Pt2 56.76(4) . 3_655 ?
Pt7 Pt2 Pt2 56.76(4) . 3_655 ?
Ni6 Pt2 Pt2 117.25(5) . 3_655 ?
Pt6 Pt2 Pt2 117.25(5) . 3_655 ?
C7 Pt2 Pt1 104.7(7) . . ?
C6 Pt2 Pt1 165.8(6) . . ?
Ni7 Pt2 Pt1 116.90(5) . . ?
Pt7 Pt2 Pt1 116.90(5) . . ?
Ni6 Pt2 Pt1 57.13(5) . . ?
Pt6 Pt2 Pt1 57.13(5) . . ?
Pt2 Pt2 Pt1 60.14(2) 3_655 . ?
C7 Pt2 Ni4 113.8(6) . 3_655 ?
C6 Pt2 Ni4 86.0(6) . 3_655 ?
Ni7 Pt2 Ni4 64.93(3) . 3_655 ?
Ni6 Pt2 Ni4 114.83(6) . 3_655 ?
Pt2 Pt2 Ni4 65.51(4) 3_655 3_655 ?
Pt1 Pt2 Ni4 89.84(4) . 3_655 ?
C7 Pt2 Pt4 113.8(6) . 3_655 ?
C6 Pt2 Pt4 86.0(6) . 3_655 ?
Pt7 Pt2 Pt4 64.93(3) . 3_655 ?
Pt6 Pt2 Pt4 114.83(6) . 3_655 ?
Pt2 Pt2 Pt4 65.51(4) 3_655 3_655 ?
Pt1 Pt2 Pt4 89.84(4) . 3_655 ?
C7 Pt2 Pt3 86.3(6) . . ?
C6 Pt2 Pt3 113.6(5) . . ?
Pt7 Pt2 Pt3 112.76(4) . . ?
Pt6 Pt2 Pt3 64.39(5) . . ?
Pt2 Pt2 Pt3 90.14(4) 3_655 . ?
Pt1 Pt2 Pt3 66.51(3) . . ?
Pt4 Pt2 Pt3 152.81(5) 3_655 . ?
C7 Pt2 Ni3 86.3(6) . . ?
C6 Pt2 Ni3 113.6(5) . . ?
Ni7 Pt2 Ni3 112.76(4) . . ?
Ni6 Pt2 Ni3 64.39(5) . . ?
Pt2 Pt2 Ni3 90.14(4) 3_655 . ?
Pt1 Pt2 Ni3 66.51(3) . . ?
Ni4 Pt2 Ni3 152.81(5) 3_655 . ?
C10 Pt3 C2 98.5(10) . . ?
C10 Pt3 C5 101.9(11) . . ?
C2 Pt3 C5 144.4(9) . . ?
C10 Pt3 Pt5 144.7(9) . . ?
C2 Pt3 Pt5 46.3(6) . . ?
C5 Pt3 Pt5 108.0(6) . . ?
C10 Pt3 Pt4 150.5(9) . . ?
C2 Pt3 Pt4 105.0(6) . . ?
C5 Pt3 Pt4 49.0(7) . . ?
Pt5 Pt3 Pt4 60.37(5) . . ?
C10 Pt3 Pt2 113.4(8) . . ?
C2 Pt3 Pt2 122.7(6) . . ?
C5 Pt3 Pt2 74.4(6) . . ?
Pt5 Pt3 Pt2 92.75(5) . . ?
Pt4 Pt3 Pt2 67.82(4) . . ?
C10 Pt3 Pt6 73.8(8) . . ?
C2 Pt3 Pt6 99.9(7) . . ?
C5 Pt3 Pt6 113.6(6) . . ?
Pt5 Pt3 Pt6 109.61(6) . . ?
Pt4 Pt3 Pt6 118.34(6) . . ?
Pt2 Pt3 Pt6 51.32(5) . . ?
C10 Pt3 Pt1 115.9(8) . . ?
C2 Pt3 Pt1 69.2(6) . . ?
C5 Pt3 Pt1 124.6(6) . . ?
Pt5 Pt3 Pt1 60.15(4) . . ?
Pt4 Pt3 Pt1 89.35(5) . . ?
Pt2 Pt3 Pt1 54.43(3) . . ?
Pt6 Pt3 Pt1 49.61(4) . . ?
C4 Pt4 C3 99.3(9) . . ?
C4 Pt4 C5 102.2(10) . . ?
C3 Pt4 C5 141.6(9) . . ?
C4 Pt4 Pt3 151.9(7) . . ?
C3 Pt4 Pt3 103.8(6) . . ?
C5 Pt4 Pt3 49.8(7) . . ?
C4 Pt4 Pt5 146.1(7) . . ?
C3 Pt4 Pt5 46.9(6) . . ?
C5 Pt4 Pt5 108.1(7) . . ?
Pt3 Pt4 Pt5 59.76(5) . . ?
C4 Pt4 Pt2 106.1(7) . 3_655 ?
C3 Pt4 Pt2 77.2(6) . 3_655 ?
C5 Pt4 Pt2 125.3(6) . 3_655 ?
Pt3 Pt4 Pt2 94.37(5) . 3_655 ?
Pt5 Pt4 Pt2 67.87(5) . 3_655 ?
C4 Pt4 Pt7 70.5(7) . . ?
C3 Pt4 Pt7 117.8(6) . . ?
C5 Pt4 Pt7 99.3(6) . . ?
Pt3 Pt4 Pt7 111.02(7) . . ?
Pt5 Pt4 Pt7 117.89(7) . . ?
Pt2 Pt4 Pt7 50.96(5) 3_655 . ?
C4 Pt4 Pt2 115.5(7) . . ?
C3 Pt4 Pt2 125.9(6) . . ?
C5 Pt4 Pt2 71.0(6) . . ?
Pt3 Pt4 Pt2 61.69(4) . . ?
Pt5 Pt4 Pt2 89.02(5) . . ?
Pt2 Pt4 Pt2 54.80(4) 3_655 . ?
Pt7 Pt4 Pt2 49.47(5) . . ?
C1 Pt5 C2 99.5(10) . . ?
C1 Pt5 C3 101.1(10) . . ?
C2 Pt5 C3 141.1(10) . . ?
C1 Pt5 Pt3 149.4(8) . . ?
C2 Pt5 Pt3 49.9(7) . . ?
C3 Pt5 Pt3 105.1(6) . . ?
C1 Pt5 Pt4 149.0(8) . . ?
C2 Pt5 Pt4 108.0(7) . . ?
C3 Pt5 Pt4 48.1(6) . . ?
Pt3 Pt5 Pt4 59.87(5) . . ?
C1 Pt5 Pt1 105.8(7) . . ?
C2 Pt5 Pt1 76.3(7) . . ?
C3 Pt5 Pt1 127.8(6) . . ?
Pt3 Pt5 Pt1 69.71(4) . . ?
Pt4 Pt5 Pt1 94.50(5) . . ?
C1 Pt5 Pt6 68.4(7) . 3_655 ?
C2 Pt5 Pt6 115.4(7) . 3_655 ?
C3 Pt5 Pt6 102.8(6) . 3_655 ?
Pt3 Pt5 Pt6 119.65(7) . 3_655 ?
Pt4 Pt5 Pt6 110.31(7) . 3_655 ?
Pt1 Pt5 Pt6 50.98(4) . 3_655 ?
C1 Pt5 Pt2 112.0(8) . 3_655 ?
C2 Pt5 Pt2 127.1(6) . 3_655 ?
C3 Pt5 Pt2 73.4(6) . 3_655 ?
Pt3 Pt5 Pt2 90.67(5) . 3_655 ?
Pt4 Pt5 Pt2 61.36(4) . 3_655 ?
Pt1 Pt5 Pt2 55.24(3) . 3_655 ?
Pt6 Pt5 Pt2 49.09(4) 3_655 3_655 ?
C8 Pt6 C7 94.9(10) . . ?
C8 Pt6 C9 101.8(10) . . ?
C7 Pt6 C9 163.0(8) . . ?
C8 Pt6 Pt2 143.3(8) . . ?
C7 Pt6 Pt2 48.7(6) . . ?
C9 Pt6 Pt2 114.9(6) . . ?
C8 Pt6 Pt1 150.5(8) . . ?
C7 Pt6 Pt1 114.5(6) . . ?
C9 Pt6 Pt1 48.8(5) . . ?
Pt2 Pt6 Pt1 66.18(5) . . ?
C8 Pt6 Pt3 116.8(8) . . ?
C7 Pt6 Pt3 86.6(6) . . ?
C9 Pt6 Pt3 88.7(5) . . ?
Pt2 Pt6 Pt3 64.29(5) . . ?
Pt1 Pt6 Pt3 69.29(5) . . ?
C8 Pt6 Pt5 122.3(8) . 3_655 ?
C7 Pt6 Pt5 84.9(6) . 3_655 ?
C9 Pt6 Pt5 83.5(5) . 3_655 ?
Pt2 Pt6 Pt5 66.70(5) . 3_655 ?
Pt1 Pt6 Pt5 61.92(5) . 3_655 ?
Pt3 Pt6 Pt5 120.84(7) . 3_655 ?
C11 Pt7 C6 97.4(6) . . ?
C11 Pt7 C6 97.4(6) . 3_655 ?
C6 Pt7 C6 165.2(11) . 3_655 ?
C11 Pt7 Pt2 146.76(4) . 3_655 ?
C6 Pt7 Pt2 115.8(6) . 3_655 ?
C6 Pt7 Pt2 49.4(6) 3_655 3_655 ?
C11 Pt7 Pt2 146.76(4) . . ?
C6 Pt7 Pt2 49.4(6) . . ?
C6 Pt7 Pt2 115.8(6) 3_655 . ?
Pt2 Pt7 Pt2 66.47(9) 3_655 . ?
C11 Pt7 Pt4 118.95(6) . 3_655 ?
C6 Pt7 Pt4 85.5(5) . 3_655 ?
C6 Pt7 Pt4 87.4(5) 3_655 3_655 ?
Pt2 Pt7 Pt4 68.11(7) 3_655 3_655 ?
Pt2 Pt7 Pt4 64.10(6) . 3_655 ?
C11 Pt7 Pt4 118.95(6) . . ?
C6 Pt7 Pt4 87.4(5) . . ?
C6 Pt7 Pt4 85.5(5) 3_655 . ?
Pt2 Pt7 Pt4 64.10(6) 3_655 . ?
Pt2 Pt7 Pt4 68.11(7) . . ?
Pt4 Pt7 Pt4 122.11(12) 3_655 . ?
C10 Ni3 C2 98.5(10) . . ?
C10 Ni3 C5 101.9(11) . . ?
C2 Ni3 C5 144.4(9) . . ?
C10 Ni3 Ni5 144.7(9) . . ?
C2 Ni3 Ni5 46.3(6) . . ?
C5 Ni3 Ni5 108.0(6) . . ?
C10 Ni3 Ni4 150.5(9) . . ?
C2 Ni3 Ni4 105.0(6) . . ?
C5 Ni3 Ni4 49.0(7) . . ?
Ni5 Ni3 Ni4 60.37(5) . . ?
C10 Ni3 Pt2 113.4(8) . . ?
C2 Ni3 Pt2 122.7(6) . . ?
C5 Ni3 Pt2 74.4(6) . . ?
Ni5 Ni3 Pt2 92.75(5) . . ?
Ni4 Ni3 Pt2 67.82(4) . . ?
C10 Ni3 Ni6 73.8(8) . . ?
C2 Ni3 Ni6 99.9(7) . . ?
C5 Ni3 Ni6 113.6(6) . . ?
Ni5 Ni3 Ni6 109.61(6) . . ?
Ni4 Ni3 Ni6 118.34(6) . . ?
Pt2 Ni3 Ni6 51.32(5) . . ?
C4 Ni4 C3 99.3(9) . . ?
C4 Ni4 C5 102.2(10) . . ?
C3 Ni4 C5 141.6(9) . . ?
C4 Ni4 Ni3 151.9(7) . . ?
C3 Ni4 Ni3 103.8(6) . . ?
C5 Ni4 Ni3 49.8(7) . . ?
C4 Ni4 Ni5 146.1(7) . . ?
C3 Ni4 Ni5 46.9(6) . . ?
C5 Ni4 Ni5 108.1(7) . . ?
Ni3 Ni4 Ni5 59.76(5) . . ?
C4 Ni4 Pt2 106.1(7) . 3_655 ?
C3 Ni4 Pt2 77.2(6) . 3_655 ?
C5 Ni4 Pt2 125.3(6) . 3_655 ?
Ni3 Ni4 Pt2 94.37(5) . 3_655 ?
Ni5 Ni4 Pt2 67.87(5) . 3_655 ?
C4 Ni4 Ni7 70.5(7) . . ?
C3 Ni4 Ni7 117.8(6) . . ?
C5 Ni4 Ni7 99.3(6) . . ?
Ni3 Ni4 Ni7 111.02(7) . . ?
Ni5 Ni4 Ni7 117.89(7) . . ?
Pt2 Ni4 Ni7 50.96(5) 3_655 . ?
C1 Ni5 C2 99.5(10) . . ?
C1 Ni5 C3 101.1(10) . . ?
C2 Ni5 C3 141.1(10) . . ?
C1 Ni5 Ni3 149.4(8) . . ?
C2 Ni5 Ni3 49.9(7) . . ?
C3 Ni5 Ni3 105.1(6) . . ?
C1 Ni5 Ni4 149.0(8) . . ?
C2 Ni5 Ni4 108.0(7) . . ?
C3 Ni5 Ni4 48.1(6) . . ?
Ni3 Ni5 Ni4 59.87(5) . . ?
C1 Ni5 Pt1 105.8(7) . . ?
C2 Ni5 Pt1 76.3(7) . . ?
C3 Ni5 Pt1 127.8(6) . . ?
Ni3 Ni5 Pt1 69.71(4) . . ?
Ni4 Ni5 Pt1 94.50(5) . . ?
C8 Ni6 C7 94.9(10) . . ?
C8 Ni6 C9 101.8(10) . . ?
C7 Ni6 C9 163.0(8) . . ?
C8 Ni6 Pt2 143.3(8) . . ?
C7 Ni6 Pt2 48.7(6) . . ?
C9 Ni6 Pt2 114.9(6) . . ?
C8 Ni6 Pt1 150.5(8) . . ?
C7 Ni6 Pt1 114.5(6) . . ?
C9 Ni6 Pt1 48.8(5) . . ?
Pt2 Ni6 Pt1 66.18(5) . . ?
C8 Ni6 Ni3 116.8(8) . . ?
C7 Ni6 Ni3 86.6(6) . . ?
C9 Ni6 Ni3 88.7(5) . . ?
Pt2 Ni6 Ni3 64.29(5) . . ?
Pt1 Ni6 Ni3 69.29(5) . . ?
C11 Ni7 C6 97.4(6) . . ?
C11 Ni7 C6 97.4(6) . 3_655 ?
C6 Ni7 C6 165.2(11) . 3_655 ?
C11 Ni7 Pt2 146.76(4) . 3_655 ?
C6 Ni7 Pt2 115.8(6) . 3_655 ?
C6 Ni7 Pt2 49.4(6) 3_655 3_655 ?
C11 Ni7 Pt2 146.76(4) . . ?
C6 Ni7 Pt2 49.4(6) . . ?
C6 Ni7 Pt2 115.8(6) 3_655 . ?
Pt2 Ni7 Pt2 66.47(9) 3_655 . ?
C11 Ni7 Ni4 118.95(6) . 3_655 ?
C6 Ni7 Ni4 85.5(5) . 3_655 ?
C6 Ni7 Ni4 87.4(5) 3_655 3_655 ?
Pt2 Ni7 Ni4 68.11(7) 3_655 3_655 ?
Pt2 Ni7 Ni4 64.10(6) . 3_655 ?
C11 Ni7 Ni4 118.95(6) . . ?
C6 Ni7 Ni4 87.4(5) . . ?
C6 Ni7 Ni4 85.5(5) 3_655 . ?
Pt2 Ni7 Ni4 64.10(6) 3_655 . ?
Pt2 Ni7 Ni4 68.11(7) . . ?
Ni4 Ni7 Ni4 122.11(12) 3_655 . ?
O1 C1 Pt5 171(2) . . ?
O1 C1 Ni5 171(2) . . ?
O2 C2 Ni5 140.1(19) . . ?
O2 C2 Pt5 140.1(19) . . ?
O2 C2 Pt3 135.3(18) . . ?
Pt5 C2 Pt3 83.9(9) . . ?
O2 C2 Ni3 135.3(18) . . ?
Ni5 C2 Ni3 83.9(9) . . ?
O3 C3 Ni5 137.6(17) . . ?
O3 C3 Pt5 137.6(17) . . ?
O3 C3 Pt4 137.2(17) . . ?
Pt5 C3 Pt4 85.0(8) . . ?
O3 C3 Ni4 137.2(17) . . ?
Ni5 C3 Ni4 85.0(8) . . ?
O4 C4 Pt4 172(2) . . ?
O4 C4 Ni4 172(2) . . ?
O5 C5 Ni4 137.5(19) . . ?
O5 C5 Pt4 137.5(19) . . ?
O5 C5 Pt3 141(2) . . ?
Pt4 C5 Pt3 81.3(9) . . ?
O5 C5 Ni3 141(2) . . ?
Ni4 C5 Ni3 81.3(9) . . ?
O6 C6 Ni7 136.5(16) . . ?
O6 C6 Pt7 136.5(16) . . ?
O6 C6 Pt2 142.1(17) . . ?
Ni7 C6 Pt2 81.4(8) . . ?
Pt7 C6 Pt2 81.4(8) . . ?
O7 C7 Ni6 135.5(17) . . ?
O7 C7 Pt6 135.5(17) . . ?
O7 C7 Pt2 141.1(18) . . ?
Ni6 C7 Pt2 83.4(8) . . ?
Pt6 C7 Pt2 83.4(8) . . ?
O8 C8 Pt6 174(2) . . ?
O8 C8 Ni6 174(2) . . ?
O9 C9 Ni6 135.9(15) . . ?
O9 C9 Pt6 135.9(15) . . ?
O9 C9 Pt1 140.8(16) . . ?
Ni6 C9 Pt1 83.3(8) . . ?
Pt6 C9 Pt1 83.3(8) . . ?
O10 C10 Pt3 170(2) . . ?
O10 C10 Ni3 170(2) . . ?
O11 C11 Pt7 180.0 . . ?
O11 C11 Ni7 180.0 . . ?
C101 N1 C113 111.6(17) . . ?
C101 N1 C105 111.4(18) . . ?
C113 N1 C105 105.4(15) . . ?
C101 N1 C109 105.4(14) . . ?
C113 N1 C109 111.5(17) . . ?
C105 N1 C109 111.6(17) . . ?
N1 C101 C102 115.6(17) . . ?
N1 C101 H10A 108.4 . . ?
C102 C101 H10A 108.4 . . ?
N1 C101 H10B 108.4 . . ?
C102 C101 H10B 108.4 . . ?
H10A C101 H10B 107.4 . . ?
C103 C102 C101 112.1(17) . . ?
C103 C102 H10C 109.2 . . ?
C101 C102 H10C 109.2 . . ?
C103 C102 H10D 109.2 . . ?
C101 C102 H10D 109.2 . . ?
H10C C102 H10D 107.9 . . ?
C102 C103 C104 110(2) . . ?
C102 C103 H10E 109.6 . . ?
C104 C103 H10E 109.6 . . ?
C102 C103 H10F 109.6 . . ?
C104 C103 H10F 109.6 . . ?
H10E C103 H10F 108.2 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
N1 C105 C106 115.1(17) . . ?
N1 C105 H10J 108.5 . . ?
C106 C105 H10J 108.5 . . ?
N1 C105 H10K 108.5 . . ?
C106 C105 H10K 108.5 . . ?
H10J C105 H10K 107.5 . . ?
C105 C106 C107 105.7(19) . . ?
C105 C106 H10L 110.6 . . ?
C107 C106 H10L 110.6 . . ?
C105 C106 H10M 110.6 . . ?
C107 C106 H10M 110.6 . . ?
H10L C106 H10M 108.7 . . ?
C108 C107 C106 116(2) . . ?
C108 C107 H10N 108.4 . . ?
C106 C107 H10N 108.4 . . ?
C108 C107 H10O 108.4 . . ?
C106 C107 H10O 108.4 . . ?
H10N C107 H10O 107.4 . . ?
C107 C108 H10P 109.5 . . ?
C107 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C107 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
N1 C109 C110 116.1(17) . . ?
N1 C109 H10S 108.3 . . ?
C110 C109 H10S 108.3 . . ?
N1 C109 H10T 108.3 . . ?
C110 C109 H10T 108.3 . . ?
H10S C109 H10T 107.4 . . ?
C109 C110 C111 110.1(17) . . ?
C109 C110 H11A 109.6 . . ?
C111 C110 H11A 109.6 . . ?
C109 C110 H11B 109.6 . . ?
C111 C110 H11B 109.6 . . ?
H11A C110 H11B 108.2 . . ?
C112 C111 C110 113.3(19) . . ?
C112 C111 H11C 108.9 . . ?
C110 C111 H11C 108.9 . . ?
C112 C111 H11D 108.9 . . ?
C110 C111 H11D 108.9 . . ?
H11C C111 H11D 107.7 . . ?
C111 C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
N1 C113 C114 116.8(17) . . ?
N1 C113 H11H 108.1 . . ?
C114 C113 H11H 108.1 . . ?
N1 C113 H11I 108.1 . . ?
C114 C113 H11I 108.1 . . ?
H11H C113 H11I 107.3 . . ?
C115 C114 C113 109.2(18) . . ?
C115 C114 H11J 109.8 . . ?
C113 C114 H11J 109.8 . . ?
C115 C114 H11K 109.8 . . ?
C113 C114 H11K 109.8 . . ?
H11J C114 H11K 108.3 . . ?
C116 C115 C114 110(2) . . ?
C116 C115 H11L 109.7 . . ?
C114 C115 H11L 109.7 . . ?
C116 C115 H11M 109.7 . . ?
C114 C115 H11M 109.7 . . ?
H11L C115 H11M 108.2 . . ?
C115 C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C115 C116 H11P 109.5 . . ?
H11N C116 H11P 109.5 . . ?
H11O C116 H11P 109.5 . . ?
C209 N2 C201 107.8(13) . . ?
C209 N2 C213 111.7(16) . . ?
C201 N2 C213 111.8(15) . . ?
C209 N2 C205 109.9(15) . . ?
C201 N2 C205 109.9(15) . . ?
C213 N2 C205 105.7(13) . . ?
N2 C201 C202 116.5(15) . . ?
N2 C201 H20A 108.2 . . ?
C202 C201 H20A 108.2 . . ?
N2 C201 H20B 108.2 . . ?
C202 C201 H20B 108.2 . . ?
H20A C201 H20B 107.3 . . ?
C203 C202 C201 110.5(15) . . ?
C203 C202 H20C 109.6 . . ?
C201 C202 H20C 109.6 . . ?
C203 C202 H20D 109.6 . . ?
C201 C202 H20D 109.6 . . ?
H20C C202 H20D 108.1 . . ?
C202 C203 C204 111.4(17) . . ?
C202 C203 H20E 109.3 . . ?
C204 C203 H20E 109.3 . . ?
C202 C203 H20F 109.3 . . ?
C204 C203 H20F 109.3 . . ?
H20E C203 H20F 108.0 . . ?
C203 C204 H20G 109.5 . . ?
C203 C204 H20H 109.5 . . ?
H20G C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
N2 C205 C206 116.4(14) . . ?
N2 C205 H20J 108.2 . . ?
C206 C205 H20J 108.2 . . ?
N2 C205 H20K 108.2 . . ?
C206 C205 H20K 108.2 . . ?
H20J C205 H20K 107.3 . . ?
C205 C206 C207 111.3(16) . . ?
C205 C206 H20L 109.4 . . ?
C207 C206 H20L 109.4 . . ?
C205 C206 H20M 109.4 . . ?
C207 C206 H20M 109.4 . . ?
H20L C206 H20M 108.0 . . ?
C208 C207 C206 112.0(18) . . ?
C208 C207 H20N 109.2 . . ?
C206 C207 H20N 109.2 . . ?
C208 C207 H20O 109.2 . . ?
C206 C207 H20O 109.2 . . ?
H20N C207 H20O 107.9 . . ?
C207 C208 H20P 109.5 . . ?
C207 C208 H20Q 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
C207 C208 H20R 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
N2 C209 C210 116.1(15) . . ?
N2 C209 H20S 108.3 . . ?
C210 C209 H20S 108.3 . . ?
N2 C209 H20T 108.3 . . ?
C210 C209 H20T 108.3 . . ?
H20S C209 H20T 107.4 . . ?
C209 C210 C211 110.7(15) . . ?
C209 C210 H21A 109.5 . . ?
C211 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C211 C210 H21B 109.5 . . ?
H21A C210 H21B 108.1 . . ?
C212 C211 C210 111.3(17) . . ?
C212 C211 H21C 109.4 . . ?
C210 C211 H21C 109.4 . . ?
C212 C211 H21D 109.4 . . ?
C210 C211 H21D 109.4 . . ?
H21C C211 H21D 108.0 . . ?
C211 C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
H21E C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
N2 C213 C214 115.2(15) . . ?
N2 C213 H21H 108.5 . . ?
C214 C213 H21H 108.5 . . ?
N2 C213 H21I 108.5 . . ?
C214 C213 H21I 108.5 . . ?
H21H C213 H21I 107.5 . . ?
C215 C214 C213 111.3(17) . . ?
C215 C214 H21J 109.4 . . ?
C213 C214 H21J 109.4 . . ?
C215 C214 H21K 109.4 . . ?
C213 C214 H21K 109.4 . . ?
H21J C214 H21K 108.0 . . ?
C214 C215 C216 112.0(19) . . ?
C214 C215 H21L 109.2 . . ?
C216 C215 H21L 109.2 . . ?
C214 C215 H21M 109.2 . . ?
C216 C215 H21M 109.2 . . ?
H21L C215 H21M 107.9 . . ?
C215 C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
C215 C216 H21P 109.5 . . ?
H21N C216 H21P 109.5 . . ?
H21O C216 H21P 109.5 . . ?
O301 C301 C303 120(4) . . ?
O301 C301 C302 124(4) . . ?
C303 C301 C302 116(4) . . ?
C301 C302 H30A 109.5 . . ?
C301 C302 H30B 109.5 . . ?
H30A C302 H30B 109.5 . . ?
C301 C302 H30C 109.5 . . ?
H30A C302 H30C 109.5 . . ?
H30B C302 H30C 109.5 . . ?
C301 C303 H30D 109.5 . . ?
C301 C303 H30E 109.5 . . ?
H30D C303 H30E 109.5 . . ?
C301 C303 H30F 109.5 . . ?
H30D C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?
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
Pt1 C9 1.964(19) 3_655 ?
Pt1 C9 1.964(19) . ?
Pt1 Ni6 2.594(2) 3_655 ?
Pt1 Pt6 2.594(2) 3_655 ?
Pt1 Pt6 2.594(2) . ?
Pt1 Ni6 2.594(2) . ?
Pt1 Pt2 2.8250(13) . ?
Pt1 Pt2 2.8251(13) 3_655 ?
Pt1 Ni5 2.9455(15) 3_655 ?
Pt1 Pt5 2.9455(15) 3_655 ?
Pt1 Pt5 2.9456(15) . ?
Pt1 Ni5 2.9456(15) . ?
Pt2 C7 1.951(19) . ?
Pt2 C6 1.971(19) . ?
Pt2 Ni7 2.566(3) . ?
Pt2 Pt7 2.566(3) . ?
Pt2 Ni6 2.581(2) . ?
Pt2 Pt6 2.581(2) . ?
Pt2 Pt2 2.8131(16) 3_655 ?
Pt2 Ni4 2.9720(16) 3_655 ?
Pt2 Pt4 2.9720(16) 3_655 ?
Pt2 Pt3 2.9786(15) . ?
Pt2 Ni3 2.9786(15) . ?
Pt3 C10 1.73(3) . ?
Pt3 C2 2.00(2) . ?
Pt3 C5 2.02(2) . ?
Pt3 Pt5 2.607(2) . ?
Pt3 Pt4 2.6100(19) . ?
Pt3 Pt6 2.981(2) . ?
Pt4 C4 1.75(2) . ?
Pt4 C3 1.961(19) . ?
Pt4 C5 1.99(2) . ?
Pt4 Pt5 2.623(2) . ?
Pt4 Pt2 2.9719(16) 3_655 ?
Pt4 Pt7 2.993(2) . ?
Pt5 C1 1.75(2) . ?
Pt5 C2 1.89(2) . ?
Pt5 C3 1.92(2) . ?
Pt5 Pt6 3.075(2) 3_655 ?
Pt5 Pt2 3.1367(17) 3_655 ?
Pt6 C8 1.71(3) . ?
Pt6 C7 1.93(2) . ?
Pt6 C9 1.939(19) . ?
Pt6 Pt5 3.075(2) 3_655 ?
Pt7 C11 1.74(5) . ?
Pt7 C6 1.97(2) . ?
Pt7 C6 1.97(2) 3_655 ?
Pt7 Pt2 2.566(3) 3_655 ?
Pt7 Pt4 2.993(2) 3_655 ?
Ni3 C10 1.73(3) . ?
Ni3 C2 2.00(2) . ?
Ni3 C5 2.02(2) . ?
Ni3 Ni5 2.607(2) . ?
Ni3 Ni4 2.6100(19) . ?
Ni3 Ni6 2.981(2) . ?
Ni4 C4 1.75(2) . ?
Ni4 C3 1.961(19) . ?
Ni4 C5 1.99(2) . ?
Ni4 Ni5 2.623(2) . ?
Ni4 Pt2 2.9719(16) 3_655 ?
Ni4 Ni7 2.993(2) . ?
Ni5 C1 1.75(2) . ?
Ni5 C2 1.89(2) . ?
Ni5 C3 1.92(2) . ?
Ni6 C8 1.71(3) . ?
Ni6 C7 1.93(2) . ?
Ni6 C9 1.939(19) . ?
Ni7 C11 1.74(5) . ?
Ni7 C6 1.97(2) . ?
Ni7 C6 1.97(2) 3_655 ?
Ni7 Pt2 2.566(3) 3_655 ?
Ni7 Ni4 2.993(2) 3_655 ?
C1 O1 1.15(3) . ?
C2 O2 1.16(3) . ?
C3 O3 1.18(3) . ?
C4 O4 1.12(3) . ?
C5 O5 1.08(3) . ?
C6 O6 1.17(2) . ?
C7 O7 1.17(2) . ?
C8 O8 1.12(3) . ?
C9 O9 1.17(2) . ?
C10 O10 1.16(3) . ?
C11 O11 1.11(5) . ?
N1 C101 1.485(17) . ?
N1 C113 1.485(17) . ?
N1 C105 1.491(17) . ?
N1 C109 1.497(17) . ?
C101 C102 1.517(17) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 C103 1.513(18) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.525(18) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 C106 1.527(18) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C106 C107 1.535(18) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C107 C108 1.490(19) . ?
C107 H10N 0.9900 . ?
C107 H10O 0.9900 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C108 H10R 0.9800 . ?
C109 C110 1.524(18) . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C110 C111 1.526(17) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.518(18) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C113 C114 1.526(18) . ?
C113 H11H 0.9900 . ?
C113 H11I 0.9900 . ?
C114 C115 1.518(18) . ?
C114 H11J 0.9900 . ?
C114 H11K 0.9900 . ?
C115 C116 1.516(18) . ?
C115 H11L 0.9900 . ?
C115 H11M 0.9900 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
N2 C209 1.484(16) . ?
N2 C201 1.487(16) . ?
N2 C213 1.492(16) . ?
N2 C205 1.493(16) . ?
C201 C202 1.515(17) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 C203 1.506(17) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.514(17) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C205 C206 1.521(16) . ?
C205 H20J 0.9900 . ?
C205 H20K 0.9900 . ?
C206 C207 1.526(17) . ?
C206 H20L 0.9900 . ?
C206 H20M 0.9900 . ?
C207 C208 1.521(18) . ?
C207 H20N 0.9900 . ?
C207 H20O 0.9900 . ?
C208 H20P 0.9800 . ?
C208 H20Q 0.9800 . ?
C208 H20R 0.9800 . ?
C209 C210 1.513(17) . ?
C209 H20S 0.9900 . ?
C209 H20T 0.9900 . ?
C210 C211 1.534(17) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 C212 1.519(17) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C213 C214 1.520(17) . ?
C213 H21H 0.9900 . ?
C213 H21I 0.9900 . ?
C214 C215 1.514(17) . ?
C214 H21J 0.9900 . ?
C214 H21K 0.9900 . ?
C215 C216 1.522(18) . ?
C215 H21L 0.9900 . ?
C215 H21M 0.9900 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C216 H21P 0.9800 . ?
C301 O301 1.16(4) . ?
C301 C303 1.43(5) . ?
C301 C302 1.46(5) . ?
C302 H30A 0.9800 . ?
C302 H30B 0.9800 . ?
C302 H30C 0.9800 . ?
C303 H30D 0.9800 . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
