#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:30:25 +0300 (Fri, 05 May 2023) $
#$Revision: 283328 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/24/7712439.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_7712439
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            'C60 H92 N4 Ni2.23 O24 Pt16.77'
_chemical_formula_weight         4656.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 105.662(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.210(2)
_cell_length_b                   13.3089(11)
_cell_length_c                   26.112(2)
_cell_measurement_reflns_used    9398
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.9195
_cell_measurement_theta_min      2.531
_cell_volume                     8435.7(12)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0825
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            47303
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         1.745
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    28.236
_exptl_absorpt_correction_T_max  0.0825
_exptl_absorpt_correction_T_min  0.0160
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1756 (selected reflections only, before parameter refinement)
 R(int) = 0.0929 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.666
_exptl_crystal_description       prism
_exptl_crystal_F_000             8170
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_refine_diff_density_max         4.233
_refine_diff_density_min         -2.786
_refine_diff_density_rms         0.500
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         7357
_refine_ls_number_restraints     382
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0878
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0968P)²+809.3601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2191
_refine_ls_wR_factor_ref         0.2307
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5829
_reflns_number_total             7357
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03237f2.cif
_cod_data_source_block           Ni227Pt1673
_cod_depositor_comments
'Adding full bibliography for 7712436--7712441.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7712439
_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   0.075
_shelx_estimated_absorpt_t_max   0.147
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.52107(4) 0.72474(8) 0.20923(4) 0.0440(3) Uani 1 1 d . . . . .
Pt2 Pt 0.55419(5) 0.57953(8) 0.28632(5) 0.0487(3) Uani 1 1 d . . . . .
Pt3 Pt 0.5000 0.90460(12) 0.2500 0.0493(4) Uani 1 2 d S T P . .
Pt4 Pt 0.58905(5) 0.78095(8) 0.30784(5) 0.0514(3) Uani 1 1 d . . . . .
Pt5 Pt 0.56480(5) 0.72493(9) 0.12823(5) 0.0516(3) Uani 1 1 d D . . . .
Pt6 Pt 0.50077(5) 0.56565(10) 0.36205(5) 0.0549(5) Uani 0.930(9) 1 d . . P . .
Ni6 Ni 0.50077(5) 0.56565(10) 0.36205(5) 0.0549(5) Uani 0.070(9) 1 d . . P . .
Pt7 Pt 0.62656(5) 0.79924(11) 0.22162(6) 0.0553(6) Uani 0.828(9) 1 d . . P . .
Ni7 Ni 0.62656(5) 0.79924(11) 0.22162(6) 0.0553(6) Uani 0.172(9) 1 d . . P . .
Pt8 Pt 0.46658(6) 0.90358(11) 0.33865(6) 0.0538(6) Uani 0.748(9) 1 d . . P . .
Ni8 Ni 0.46658(6) 0.90358(11) 0.33865(6) 0.0538(6) Uani 0.252(9) 1 d . . P . .
Pt9 Pt 0.54535(6) 0.75888(11) 0.39056(6) 0.0579(6) Uani 0.786(9) 1 d . . P . .
Ni9 Ni 0.54535(6) 0.75888(11) 0.39056(6) 0.0579(6) Uani 0.214(9) 1 d . . P . .
Pt10 Pt 0.60323(7) 0.59172(13) 0.20882(7) 0.0567(7) Uani 0.594(9) 1 d D . P . .
Ni10 Ni 0.60323(7) 0.59172(13) 0.20882(7) 0.0567(7) Uani 0.406(9) 1 d . . P . .
C1 C 0.5017(12) 1.011(2) 0.3037(13) 0.056(7) Uani 1 1 d . . . . .
C2 C 0.4478(16) 0.975(3) 0.3932(16) 0.074(9) Uani 1 1 d . U . . .
C3 C 0.5589(12) 0.770(2) 0.4639(14) 0.057(7) Uani 1 1 d . U . . .
C4 C 0.4824(14) 0.488(3) 0.4094(14) 0.067(8) Uani 1 1 d . U . . .
C5 C 0.5541(12) 0.475(2) 0.3383(11) 0.050(7) Uani 1 1 d . U . . .
C6 C 0.6249(11) 0.525(2) 0.2786(12) 0.049(7) Uani 1 1 d . . . . .
C7 C 0.6512(13) 0.541(3) 0.1766(14) 0.079(10) Uani 1 1 d D U . . .
C8 C 0.6038(13) 0.735(3) 0.0800(12) 0.073(9) Uani 1 1 d D U . . .
C9 C 0.6820(17) 0.851(3) 0.1925(15) 0.076(10) Uani 1 1 d . U . . .
C10 C 0.6618(15) 0.828(3) 0.3000(15) 0.072(9) Uani 1 1 d . . . . .
C11 C 0.6202(12) 0.796(2) 0.3855(14) 0.060(8) Uani 1 1 d . . . . .
O1 O 0.5151(10) 1.0918(16) 0.3150(9) 0.067(6) Uani 1 1 d . . . . .
O2 O 0.4341(12) 1.013(2) 0.4240(11) 0.086(8) Uani 1 1 d . . . . .
O3 O 0.5656(12) 0.770(2) 0.5068(11) 0.090(8) Uani 1 1 d . . . . .
O4 O 0.4700(13) 0.435(2) 0.4432(12) 0.093(9) Uani 1 1 d . . . . .
O5 O 0.5724(10) 0.3966(16) 0.3516(9) 0.063(5) Uani 1 1 d . . . . .
O6 O 0.6622(10) 0.4793(17) 0.3014(11) 0.077(7) Uani 1 1 d . . . . .
O7 O 0.6837(16) 0.516(4) 0.1561(16) 0.17(2) Uani 1 1 d D . . . .
O8 O 0.6345(12) 0.752(3) 0.0553(12) 0.105(9) Uani 1 1 d D U . . .
O9 O 0.7107(12) 0.886(3) 0.1744(13) 0.107(11) Uani 1 1 d . . . . .
O10 O 0.7036(9) 0.850(2) 0.3220(10) 0.080(7) Uani 1 1 d . . . . .
O11 O 0.6609(8) 0.8118(19) 0.4164(10) 0.070(6) Uani 1 1 d . . . . .
N1 N 0.7112(12) 0.487(2) 0.4720(12) 0.091(5) Uani 1 1 d D U . . .
C101 C 0.7441(16) 0.403(3) 0.4613(15) 0.094(7) Uani 1 1 d D U . . .
H10A H 0.7501 0.3564 0.4921 0.113 Uiso 1 1 calc R U . . .
H10B H 0.7806 0.4298 0.4613 0.113 Uiso 1 1 calc R U . . .
C102 C 0.7240(15) 0.339(3) 0.4109(14) 0.086(9) Uani 1 1 d D U . . .
H10C H 0.7511 0.2863 0.4106 0.129 Uiso 1 1 calc R U . . .
H10D H 0.6886 0.3078 0.4105 0.129 Uiso 1 1 calc DR U . . .
H10E H 0.7194 0.3817 0.3795 0.129 Uiso 1 1 calc R U . . .
C103 C 0.6626(12) 0.434(3) 0.4814(15) 0.095(7) Uani 1 1 d D U . . .
H10F H 0.6767 0.3822 0.5088 0.114 Uiso 1 1 calc DR U . . .
H10G H 0.6438 0.3990 0.4482 0.114 Uiso 1 1 calc DR U . . .
C104 C 0.6198(15) 0.494(3) 0.4987(18) 0.091(9) Uani 1 1 d D U . . .
H10H H 0.5907 0.4489 0.5033 0.136 Uiso 1 1 calc R U . . .
H10I H 0.6369 0.5277 0.5326 0.136 Uiso 1 1 calc R U . . .
H10J H 0.6038 0.5446 0.4716 0.136 Uiso 1 1 calc R U . . .
C105 C 0.6939(16) 0.553(3) 0.4257(16) 0.097(7) Uani 1 1 d D U . . .
H10K H 0.6702 0.6068 0.4338 0.117 Uiso 1 1 calc R U . . .
H10L H 0.6713 0.5137 0.3955 0.117 Uiso 1 1 calc R U . . .
C106 C 0.7409(18) 0.602(4) 0.408(2) 0.113(11) Uani 1 1 d D U . . .
H10M H 0.7257 0.6449 0.3773 0.169 Uiso 1 1 calc R U . . .
H10N H 0.7630 0.6433 0.4376 0.169 Uiso 1 1 calc R U . . .
H10O H 0.7641 0.5500 0.3992 0.169 Uiso 1 1 calc R U . . .
C107 C 0.7381(19) 0.546(3) 0.5188(13) 0.097(7) Uani 1 1 d D U . . .
H10P H 0.7113 0.5942 0.5263 0.117 Uiso 1 1 calc R U . . .
H10Q H 0.7685 0.5852 0.5111 0.117 Uiso 1 1 calc R U . . .
C108 C 0.7615(19) 0.481(3) 0.5683(14) 0.114(11) Uani 1 1 d D U . . .
H10R H 0.7791 0.5248 0.5984 0.171 Uiso 1 1 calc R U . . .
H10S H 0.7316 0.4435 0.5767 0.171 Uiso 1 1 calc DR U . . .
H10T H 0.7888 0.4345 0.5615 0.171 Uiso 1 1 calc R U . . .
N2 N 0.3539(10) 0.1967(18) 0.2719(9) 0.067(6) Uani 1 1 d D U . . .
C201 C 0.368(2) 0.110(3) 0.2421(17) 0.069(11) Uani 0.64(2) 1 d D U P A 1
H20A H 0.3545 0.0488 0.2559 0.082 Uiso 0.64(2) 1 calc R U P A 1
H20B H 0.4087 0.1054 0.2518 0.082 Uiso 0.64(2) 1 calc R U P A 1
C202 C 0.348(2) 0.105(5) 0.1815(17) 0.077(15) Uani 0.64(2) 1 d D U P A 1
H20C H 0.3612 0.0432 0.1690 0.116 Uiso 0.64(2) 1 calc R U P A 1
H20D H 0.3076 0.1062 0.1704 0.116 Uiso 0.64(2) 1 calc R U P A 1
H20E H 0.3622 0.1633 0.1662 0.116 Uiso 0.64(2) 1 calc R U P A 1
C203 C 0.3785(19) 0.168(3) 0.3273(11) 0.060(9) Uani 0.64(2) 1 d D U P A 1
H20F H 0.4185 0.1572 0.3329 0.072 Uiso 0.64(2) 1 calc R U P A 1
H20G H 0.3620 0.1041 0.3347 0.072 Uiso 0.64(2) 1 calc R U P A 1
C204 C 0.370(2) 0.248(4) 0.367(2) 0.074(14) Uani 0.64(2) 1 d D U P A 1
H20H H 0.3872 0.2252 0.4029 0.111 Uiso 0.64(2) 1 calc R U P A 1
H20I H 0.3869 0.3111 0.3600 0.111 Uiso 0.64(2) 1 calc R U P A 1
H20J H 0.3304 0.2580 0.3618 0.111 Uiso 0.64(2) 1 calc R U P A 1
C205 C 0.3781(15) 0.282(3) 0.251(2) 0.071(10) Uani 0.64(2) 1 d D U P A 1
H20K H 0.3627 0.3449 0.2617 0.085 Uiso 0.64(2) 1 calc R U P A 1
H20L H 0.3660 0.2792 0.2115 0.085 Uiso 0.64(2) 1 calc R U P A 1
C206 C 0.4411(15) 0.291(4) 0.268(2) 0.062(12) Uani 0.64(2) 1 d D U P A 1
H20M H 0.4526 0.3502 0.2518 0.094 Uiso 0.64(2) 1 calc R U P A 1
H20N H 0.4538 0.2964 0.3069 0.094 Uiso 0.64(2) 1 calc R U P A 1
H20O H 0.4572 0.2304 0.2566 0.094 Uiso 0.64(2) 1 calc R U P A 1
C207 C 0.2943(12) 0.211(4) 0.258(2) 0.072(10) Uani 0.64(2) 1 d D U P A 1
H20P H 0.2811 0.2316 0.2206 0.086 Uiso 0.64(2) 1 calc R U P A 1
H20Q H 0.2857 0.2656 0.2804 0.086 Uiso 0.64(2) 1 calc R U P A 1
C208 C 0.263(2) 0.116(4) 0.267(3) 0.082(18) Uani 0.64(2) 1 d D U P A 1
H20R H 0.2237 0.1303 0.2569 0.123 Uiso 0.64(2) 1 calc R U P A 1
H20S H 0.2709 0.0621 0.2442 0.123 Uiso 0.64(2) 1 calc R U P A 1
H20T H 0.2756 0.0962 0.3041 0.123 Uiso 0.64(2) 1 calc R U P A 1
C211 C 0.335(4) 0.220(6) 0.2150(14) 0.066(12) Uani 0.36(2) 1 d D U P A 2
H21A H 0.3507 0.2833 0.2050 0.080 Uiso 0.36(2) 1 calc R U P A 2
H21B H 0.2951 0.2167 0.1997 0.080 Uiso 0.36(2) 1 calc R U P A 2
C212 C 0.366(5) 0.126(8) 0.206(6) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21C H 0.3620 0.1173 0.1677 0.127 Uiso 0.36(2) 1 calc R U P A 2
H21D H 0.4053 0.1321 0.2246 0.127 Uiso 0.36(2) 1 calc R U P A 2
H21E H 0.3508 0.0669 0.2194 0.127 Uiso 0.36(2) 1 calc R U P A 2
C213 C 0.328(4) 0.275(4) 0.297(3) 0.077(12) Uani 0.36(2) 1 d D U P A 2
H21F H 0.2878 0.2597 0.2839 0.092 Uiso 0.36(2) 1 calc R U P A 2
H21G H 0.3332 0.3372 0.2789 0.092 Uiso 0.36(2) 1 calc R U P A 2
C214 C 0.334(4) 0.310(7) 0.355(3) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21H H 0.3079 0.3652 0.3545 0.117 Uiso 0.36(2) 1 calc R U P A 2
H21I H 0.3252 0.2539 0.3756 0.117 Uiso 0.36(2) 1 calc R U P A 2
H21J H 0.3714 0.3328 0.3705 0.117 Uiso 0.36(2) 1 calc R U P A 2
C215 C 0.407(2) 0.209(6) 0.311(3) 0.069(13) Uani 0.36(2) 1 d D U P A 2
H21K H 0.4308 0.1499 0.3096 0.083 Uiso 0.36(2) 1 calc R U P A 2
H21L H 0.4018 0.2115 0.3472 0.083 Uiso 0.36(2) 1 calc R U P A 2
C216 C 0.438(4) 0.305(6) 0.302(4) 0.067(19) Uani 0.36(2) 1 d D U P A 2
H21M H 0.4733 0.3090 0.3295 0.101 Uiso 0.36(2) 1 calc R U P A 2
H21N H 0.4445 0.3021 0.2670 0.101 Uiso 0.36(2) 1 calc R U P A 2
H21O H 0.4155 0.3637 0.3046 0.101 Uiso 0.36(2) 1 calc R U P A 2
C217 C 0.331(3) 0.117(4) 0.299(3) 0.073(12) Uani 0.36(2) 1 d D U P A 2
H21P H 0.3353 0.1395 0.3355 0.088 Uiso 0.36(2) 1 calc R U P A 2
H21Q H 0.3560 0.0578 0.3009 0.088 Uiso 0.36(2) 1 calc R U P A 2
C218 C 0.273(3) 0.078(9) 0.278(5) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21R H 0.2660 0.0245 0.3013 0.116 Uiso 0.36(2) 1 calc R U P A 2
H21S H 0.2465 0.1327 0.2766 0.116 Uiso 0.36(2) 1 calc R U P A 2
H21T H 0.2674 0.0504 0.2418 0.116 Uiso 0.36(2) 1 calc R U P A 2
O301 O 0.6402(9) 0.173(2) 0.4442(11) 0.082(7) Uani 1 1 d D U . . .
C301 C 0.5950(9) 0.1435(19) 0.4449(11) 0.061(8) Uani 1 1 d D U . . .
C302 C 0.5446(11) 0.209(3) 0.4353(14) 0.068(9) Uani 1 1 d D U . . .
H30A H 0.5130 0.1681 0.4379 0.101 Uiso 1 1 calc R U . . .
H30B H 0.5510 0.2625 0.4619 0.101 Uiso 1 1 calc R U . . .
H30C H 0.5369 0.2384 0.3996 0.101 Uiso 1 1 calc R U . . .
C303 C 0.5894(19) 0.033(2) 0.4521(16) 0.087(11) Uani 1 1 d D U . . .
H30D H 0.5514 0.0170 0.4521 0.131 Uiso 1 1 calc R U . . .
H30E H 0.5986 -0.0033 0.4229 0.131 Uiso 1 1 calc R U . . .
H30F H 0.6146 0.0117 0.4860 0.131 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
Pt1 Pt1 Pt5 179.19(7) 2_655 . ?
Pt1 Pt1 Pt10 118.52(6) 2_655 . ?
Pt5 Pt1 Pt10 60.98(5) . . ?
Pt1 Pt1 Ni9 119.77(7) 2_655 2_655 ?
Pt5 Pt1 Ni9 61.01(5) . 2_655 ?
Pt10 Pt1 Ni9 112.05(6) . 2_655 ?
Pt1 Pt1 Pt9 119.77(7) 2_655 2_655 ?
Pt5 Pt1 Pt9 61.01(5) . 2_655 ?
Pt10 Pt1 Pt9 112.05(6) . 2_655 ?
Ni9 Pt1 Pt9 0.0 2_655 2_655 ?
Pt1 Pt1 Pt3 61.28(3) 2_655 . ?
Pt5 Pt1 Pt3 118.67(5) . . ?
Pt10 Pt1 Pt3 143.02(5) . . ?
Ni9 Pt1 Pt3 95.31(5) 2_655 . ?
Pt9 Pt1 Pt3 95.31(5) 2_655 . ?
Pt1 Pt1 Pt2 61.81(4) 2_655 2_655 ?
Pt5 Pt1 Pt2 118.72(5) . 2_655 ?
Pt10 Pt1 Pt2 94.47(6) . 2_655 ?
Ni9 Pt1 Pt2 84.51(5) 2_655 2_655 ?
Pt9 Pt1 Pt2 84.51(5) 2_655 2_655 ?
Pt3 Pt1 Pt2 113.15(5) . 2_655 ?
Pt1 Pt1 Ni8 119.35(4) 2_655 2_655 ?
Pt5 Pt1 Ni8 60.68(5) . 2_655 ?
Pt10 Pt1 Ni8 112.43(6) . 2_655 ?
Ni9 Pt1 Ni8 62.39(5) 2_655 2_655 ?
Pt9 Pt1 Ni8 62.39(5) 2_655 2_655 ?
Pt3 Pt1 Ni8 58.34(4) . 2_655 ?
Pt2 Pt1 Ni8 142.94(5) 2_655 2_655 ?
Pt1 Pt1 Pt8 119.35(4) 2_655 2_655 ?
Pt5 Pt1 Pt8 60.68(5) . 2_655 ?
Pt10 Pt1 Pt8 112.43(6) . 2_655 ?
Ni9 Pt1 Pt8 62.39(5) 2_655 2_655 ?
Pt9 Pt1 Pt8 62.39(5) 2_655 2_655 ?
Pt3 Pt1 Pt8 58.34(4) . 2_655 ?
Pt2 Pt1 Pt8 142.94(5) 2_655 2_655 ?
Ni8 Pt1 Pt8 0.0 2_655 2_655 ?
Pt1 Pt1 Pt2 61.04(4) 2_655 . ?
Pt5 Pt1 Pt2 118.52(5) . . ?
Pt10 Pt1 Pt2 57.74(5) . . ?
Ni9 Pt1 Pt2 143.34(6) 2_655 . ?
Pt9 Pt1 Pt2 143.34(6) 2_655 . ?
Pt3 Pt1 Pt2 112.52(5) . . ?
Pt2 Pt1 Pt2 63.22(5) 2_655 . ?
Ni8 Pt1 Pt2 153.19(6) 2_655 . ?
Pt8 Pt1 Pt2 153.19(6) 2_655 . ?
Pt1 Pt1 Ni6 119.60(4) 2_655 2_655 ?
Pt5 Pt1 Ni6 60.83(4) . 2_655 ?
Pt10 Pt1 Ni6 61.00(5) . 2_655 ?
Ni9 Pt1 Ni6 61.77(5) 2_655 2_655 ?
Pt9 Pt1 Ni6 61.77(5) 2_655 2_655 ?
Pt3 Pt1 Ni6 155.05(5) . 2_655 ?
Pt2 Pt1 Ni6 58.30(4) 2_655 2_655 ?
Ni8 Pt1 Ni6 112.50(5) 2_655 2_655 ?
Pt8 Pt1 Ni6 112.50(5) 2_655 2_655 ?
Pt2 Pt1 Ni6 85.46(5) . 2_655 ?
C5 Pt2 C6 88.8(12) . . ?
C5 Pt2 Pt10 131.9(9) . . ?
C6 Pt2 Pt10 47.7(9) . . ?
C5 Pt2 Pt6 48.7(9) . . ?
C6 Pt2 Pt6 133.9(9) . . ?
Pt10 Pt2 Pt6 177.77(6) . . ?
C5 Pt2 Pt1 110.1(9) . 2_655 ?
C6 Pt2 Pt1 156.4(7) . 2_655 ?
Pt10 Pt2 Pt1 117.54(6) . 2_655 ?
Pt6 Pt2 Pt1 61.63(4) . 2_655 ?
C5 Pt2 Pt1 162.9(8) . . ?
C6 Pt2 Pt1 106.7(8) . . ?
Pt10 Pt2 Pt1 60.65(5) . . ?
Pt6 Pt2 Pt1 118.29(5) . . ?
Pt1 Pt2 Pt1 57.15(5) 2_655 . ?
C5 Pt2 Pt4 126.7(9) . . ?
C6 Pt2 Pt4 97.4(7) . . ?
Pt10 Pt2 Pt4 84.82(6) . . ?
Pt6 Pt2 Pt4 96.29(5) . . ?
Pt1 Pt2 Pt4 60.23(4) 2_655 . ?
Pt1 Pt2 Pt4 59.79(4) . . ?
C5 Pt2 Pt2 106.3(8) . 2_655 ?
C6 Pt2 Pt2 130.7(9) . 2_655 ?
Pt10 Pt2 Pt2 93.01(6) . 2_655 ?
Pt6 Pt2 Pt2 84.80(6) . 2_655 ?
Pt1 Pt2 Pt2 58.73(4) 2_655 2_655 ?
Pt1 Pt2 Pt2 58.05(4) . 2_655 ?
Pt4 Pt2 Pt2 108.66(3) . 2_655 ?
C1 Pt3 C1 89.0(19) . 2_655 ?
C1 Pt3 Ni8 131.6(10) . 2_655 ?
C1 Pt3 Ni8 48.9(10) 2_655 2_655 ?
C1 Pt3 Pt8 131.6(10) . 2_655 ?
C1 Pt3 Pt8 48.9(10) 2_655 2_655 ?
Ni8 Pt3 Pt8 0.0 2_655 2_655 ?
C1 Pt3 Pt8 48.9(10) . . ?
C1 Pt3 Pt8 131.6(10) 2_655 . ?
Ni8 Pt3 Pt8 179.4 2_655 . ?
Pt8 Pt3 Pt8 179.42(9) 2_655 . ?
C1 Pt3 Pt1 108.6(10) . 2_655 ?
C1 Pt3 Pt1 158.7(9) 2_655 2_655 ?
Ni8 Pt3 Pt1 118.30(6) 2_655 2_655 ?
Pt8 Pt3 Pt1 118.30(6) 2_655 2_655 ?
Pt8 Pt3 Pt1 61.12(4) . 2_655 ?
C1 Pt3 Pt1 158.7(9) . . ?
C1 Pt3 Pt1 108.6(10) 2_655 . ?
Ni8 Pt3 Pt1 61.12(4) 2_655 . ?
Pt8 Pt3 Pt1 61.12(4) 2_655 . ?
Pt8 Pt3 Pt1 118.30(6) . . ?
Pt1 Pt3 Pt1 57.44(5) 2_655 . ?
C1 Pt3 Pt4 99.9(9) . . ?
C1 Pt3 Pt4 130.3(9) 2_655 . ?
Ni8 Pt3 Pt4 93.93(4) 2_655 . ?
Pt8 Pt3 Pt4 93.93(4) 2_655 . ?
Pt8 Pt3 Pt4 85.74(4) . . ?
Pt1 Pt3 Pt4 59.84(4) 2_655 . ?
Pt1 Pt3 Pt4 59.62(4) . . ?
C1 Pt3 Pt4 130.3(9) . 2_655 ?
C1 Pt3 Pt4 100.0(9) 2_655 2_655 ?
Ni8 Pt3 Pt4 85.74(4) 2_655 2_655 ?
Pt8 Pt3 Pt4 85.74(4) 2_655 2_655 ?
Pt8 Pt3 Pt4 93.92(4) . 2_655 ?
Pt1 Pt3 Pt4 59.62(4) 2_655 2_655 ?
Pt1 Pt3 Pt4 59.84(4) . 2_655 ?
Pt4 Pt3 Pt4 109.84(7) . 2_655 ?
C11 Pt4 C10 87.2(14) . . ?
C11 Pt4 Pt7 136.1(9) . . ?
C10 Pt4 Pt7 49.0(11) . . ?
C11 Pt4 Pt9 47.5(9) . . ?
C10 Pt4 Pt9 134.5(11) . . ?
Pt7 Pt4 Pt9 176.47(6) . . ?
C11 Pt4 Pt1 162.0(9) . . ?
C10 Pt4 Pt1 110.0(11) . . ?
Pt7 Pt4 Pt1 61.03(4) . . ?
Pt9 Pt4 Pt1 115.45(5) . . ?
C11 Pt4 Pt1 107.1(9) . 2_655 ?
C10 Pt4 Pt1 165.2(10) . 2_655 ?
Pt7 Pt4 Pt1 116.85(5) . 2_655 ?
Pt9 Pt4 Pt1 59.63(4) . 2_655 ?
Pt1 Pt4 Pt1 56.14(4) . 2_655 ?
C11 Pt4 Pt2 108.4(10) . . ?
C10 Pt4 Pt2 121.5(12) . . ?
Pt7 Pt4 Pt2 94.61(5) . . ?
Pt9 Pt4 Pt2 83.31(5) . . ?
Pt1 Pt4 Pt2 58.73(4) . . ?
Pt1 Pt4 Pt2 58.16(4) 2_655 . ?
C11 Pt4 Pt3 121.4(9) . . ?
C10 Pt4 Pt3 112.0(10) . . ?
Pt7 Pt4 Pt3 84.77(4) . . ?
Pt9 Pt4 Pt3 93.07(5) . . ?
Pt1 Pt4 Pt3 57.80(4) . . ?
Pt1 Pt4 Pt3 57.70(4) 2_655 . ?
Pt2 Pt4 Pt3 106.41(5) . . ?
C8 Pt5 Pt1 170.8(12) . . ?
C8 Pt5 Pt7 108.2(12) . . ?
Pt1 Pt5 Pt7 62.62(5) . . ?
C8 Pt5 Ni8 114.6(12) . 2_655 ?
Pt1 Pt5 Ni8 61.64(5) . 2_655 ?
Pt7 Pt5 Ni8 62.56(5) . 2_655 ?
C8 Pt5 Pt8 114.6(12) . 2_655 ?
Pt1 Pt5 Pt8 61.64(5) . 2_655 ?
Pt7 Pt5 Pt8 62.56(5) . 2_655 ?
Ni8 Pt5 Pt8 0.0 2_655 2_655 ?
C8 Pt5 Pt10 116.3(12) . . ?
Pt1 Pt5 Pt10 61.17(5) . . ?
Pt7 Pt5 Pt10 62.77(5) . . ?
Ni8 Pt5 Pt10 113.39(6) 2_655 . ?
Pt8 Pt5 Pt10 113.39(6) 2_655 . ?
C8 Pt5 Ni9 125.7(12) . 2_655 ?
Pt1 Pt5 Ni9 61.17(5) . 2_655 ?
Pt7 Pt5 Ni9 114.39(6) . 2_655 ?
Ni8 Pt5 Ni9 62.76(5) 2_655 2_655 ?
Pt8 Pt5 Ni9 62.76(5) 2_655 2_655 ?
Pt10 Pt5 Ni9 112.33(6) . 2_655 ?
C8 Pt5 Pt9 125.7(12) . 2_655 ?
Pt1 Pt5 Pt9 61.17(5) . 2_655 ?
Pt7 Pt5 Pt9 114.39(6) . 2_655 ?
Ni8 Pt5 Pt9 62.76(5) 2_655 2_655 ?
Pt8 Pt5 Pt9 62.76(5) 2_655 2_655 ?
Pt10 Pt5 Pt9 112.33(6) . 2_655 ?
Ni9 Pt5 Pt9 0.0 2_655 2_655 ?
C8 Pt5 Ni6 125.6(12) . 2_655 ?
Pt1 Pt5 Ni6 62.08(4) . 2_655 ?
Pt7 Pt5 Ni6 114.48(6) . 2_655 ?
Ni8 Pt5 Ni6 114.34(6) 2_655 2_655 ?
Pt8 Pt5 Ni6 114.34(6) 2_655 2_655 ?
Pt10 Pt5 Ni6 61.47(5) . 2_655 ?
Ni9 Pt5 Ni6 62.24(5) 2_655 2_655 ?
Pt9 Pt5 Ni6 62.24(5) 2_655 2_655 ?
C8 Pt5 Pt6 125.6(12) . 2_655 ?
Pt1 Pt5 Pt6 62.08(4) . 2_655 ?
Pt7 Pt5 Pt6 114.48(6) . 2_655 ?
Ni8 Pt5 Pt6 114.34(6) 2_655 2_655 ?
Pt8 Pt5 Pt6 114.34(6) 2_655 2_655 ?
Pt10 Pt5 Pt6 61.47(5) . 2_655 ?
Ni9 Pt5 Pt6 62.24(5) 2_655 2_655 ?
Pt9 Pt5 Pt6 62.24(5) 2_655 2_655 ?
Ni6 Pt5 Pt6 0.0 2_655 2_655 ?
C4 Pt6 C5 100.9(13) . . ?
C4 Pt6 Pt2 146.7(11) . . ?
C5 Pt6 Pt2 46.2(8) . . ?
C4 Pt6 Pt5 96.2(11) . 2_655 ?
C5 Pt6 Pt5 162.9(8) . 2_655 ?
Pt2 Pt6 Pt5 116.76(6) . 2_655 ?
C4 Pt6 Pt1 150.9(11) . 2_655 ?
C5 Pt6 Pt1 106.1(8) . 2_655 ?
Pt2 Pt6 Pt1 60.07(4) . 2_655 ?
Pt5 Pt6 Pt1 57.09(4) 2_655 2_655 ?
C4 Pt6 Ni10 99.2(11) . 2_655 ?
C5 Pt6 Ni10 117.0(8) . 2_655 ?
Pt2 Pt6 Ni10 94.09(6) . 2_655 ?
Pt5 Pt6 Ni10 58.92(5) 2_655 2_655 ?
Pt1 Pt6 Ni10 58.66(5) 2_655 2_655 ?
C4 Pt6 Pt10 99.2(11) . 2_655 ?
C5 Pt6 Pt10 117.0(8) . 2_655 ?
Pt2 Pt6 Pt10 94.09(6) . 2_655 ?
Pt5 Pt6 Pt10 58.92(5) 2_655 2_655 ?
Pt1 Pt6 Pt10 58.66(5) 2_655 2_655 ?
Ni10 Pt6 Pt10 0.0 2_655 2_655 ?
C4 Pt6 Pt9 120.5(11) . . ?
C5 Pt6 Pt9 111.9(8) . . ?
Pt2 Pt6 Pt9 83.59(5) . . ?
Pt5 Pt6 Pt9 58.57(5) 2_655 . ?
Pt1 Pt6 Pt9 58.31(5) 2_655 . ?
Ni10 Pt6 Pt9 107.28(6) 2_655 . ?
Pt10 Pt6 Pt9 107.28(6) 2_655 . ?
C9 Pt7 C10 99.5(16) . . ?
C9 Pt7 Pt4 146.9(12) . . ?
C10 Pt7 Pt4 47.9(11) . . ?
C9 Pt7 Pt5 94.5(12) . . ?
C10 Pt7 Pt5 164.9(11) . . ?
Pt4 Pt7 Pt5 118.51(6) . . ?
C9 Pt7 Pt1 150.7(11) . . ?
C10 Pt7 Pt1 109.2(11) . . ?
Pt4 Pt7 Pt1 61.35(4) . . ?
Pt5 Pt7 Pt1 57.53(4) . . ?
C9 Pt7 Ni8 100.9(12) . 2_655 ?
C10 Pt7 Ni8 122.6(11) . 2_655 ?
Pt4 Pt7 Ni8 94.83(6) . 2_655 ?
Pt5 Pt7 Ni8 59.03(5) . 2_655 ?
Pt1 Pt7 Ni8 58.82(5) . 2_655 ?
C9 Pt7 Pt8 100.9(12) . 2_655 ?
C10 Pt7 Pt8 122.6(11) . 2_655 ?
Pt4 Pt7 Pt8 94.83(6) . 2_655 ?
Pt5 Pt7 Pt8 59.03(5) . 2_655 ?
Pt1 Pt7 Pt8 58.82(5) . 2_655 ?
Ni8 Pt7 Pt8 0.0 2_655 2_655 ?
C9 Pt7 Pt10 117.6(12) . . ?
C10 Pt7 Pt10 109.0(11) . . ?
Pt4 Pt7 Pt10 84.32(6) . . ?
Pt5 Pt7 Pt10 58.96(5) . . ?
Pt1 Pt7 Pt10 58.28(5) . . ?
Ni8 Pt7 Pt10 107.49(6) 2_655 . ?
Pt8 Pt7 Pt10 107.49(6) 2_655 . ?
C2 Pt8 C1 102.5(15) . . ?
C2 Pt8 Pt3 149.4(12) . . ?
C1 Pt8 Pt3 47.7(9) . . ?
C2 Pt8 Pt5 92.5(12) . 2_655 ?
C1 Pt8 Pt5 164.0(9) . 2_655 ?
Pt3 Pt8 Pt5 117.86(6) . 2_655 ?
C2 Pt8 Pt1 150.1(12) . 2_655 ?
C1 Pt8 Pt1 106.9(9) . 2_655 ?
Pt3 Pt8 Pt1 60.54(5) . 2_655 ?
Pt5 Pt8 Pt1 57.68(4) 2_655 2_655 ?
C2 Pt8 Ni7 109.3(12) . 2_655 ?
C1 Pt8 Ni7 119.8(9) . 2_655 ?
Pt3 Pt8 Ni7 85.90(5) . 2_655 ?
Pt5 Pt8 Ni7 58.41(5) 2_655 2_655 ?
Pt1 Pt8 Ni7 59.85(5) 2_655 2_655 ?
C2 Pt8 Pt7 109.3(12) . 2_655 ?
C1 Pt8 Pt7 119.8(9) . 2_655 ?
Pt3 Pt8 Pt7 85.90(5) . 2_655 ?
Pt5 Pt8 Pt7 58.41(5) 2_655 2_655 ?
Pt1 Pt8 Pt7 59.85(5) 2_655 2_655 ?
Ni7 Pt8 Pt7 0.0 2_655 2_655 ?
C2 Pt8 Pt9 105.5(12) . . ?
C1 Pt8 Pt9 111.1(9) . . ?
Pt3 Pt8 Pt9 94.23(6) . . ?
Pt5 Pt8 Pt9 58.69(5) 2_655 . ?
Pt1 Pt8 Pt9 58.51(5) 2_655 . ?
Ni7 Pt8 Pt9 107.64(6) 2_655 . ?
Pt7 Pt8 Pt9 107.64(6) 2_655 . ?
C3 Pt9 C11 97.7(14) . . ?
C3 Pt9 Pt4 144.8(9) . . ?
C11 Pt9 Pt4 47.0(10) . . ?
C3 Pt9 Pt5 95.4(9) . 2_655 ?
C11 Pt9 Pt5 165.6(10) . 2_655 ?
Pt4 Pt9 Pt5 119.45(6) . 2_655 ?
C3 Pt9 Pt1 153.2(9) . 2_655 ?
C11 Pt9 Pt1 109.1(10) . 2_655 ?
Pt4 Pt9 Pt1 62.00(5) . 2_655 ?
Pt5 Pt9 Pt1 57.82(4) 2_655 2_655 ?
C3 Pt9 Pt6 107.1(10) . . ?
C11 Pt9 Pt6 121.7(10) . . ?
Pt4 Pt9 Pt6 96.19(6) . . ?
Pt5 Pt9 Pt6 59.19(5) 2_655 . ?
Pt1 Pt9 Pt6 59.92(5) 2_655 . ?
C3 Pt9 Pt8 110.4(10) . . ?
C11 Pt9 Pt8 110.8(10) . . ?
Pt4 Pt9 Pt8 85.86(6) . . ?
Pt5 Pt9 Pt8 58.54(5) 2_655 . ?
Pt1 Pt9 Pt8 59.10(5) 2_655 . ?
Pt6 Pt9 Pt8 108.36(6) . . ?
C7 Pt10 C6 102.2(15) . . ?
C7 Pt10 Pt2 148.7(13) . . ?
C6 Pt10 Pt2 48.3(8) . . ?
C7 Pt10 Pt5 91.6(13) . . ?
C6 Pt10 Pt5 164.2(8) . . ?
Pt2 Pt10 Pt5 119.27(7) . . ?
C7 Pt10 Pt1 149.4(13) . . ?
C6 Pt10 Pt1 108.1(8) . . ?
Pt2 Pt10 Pt1 61.61(5) . . ?
Pt5 Pt10 Pt1 57.86(5) . . ?
C7 Pt10 Ni6 105.9(13) . 2_655 ?
C6 Pt10 Ni6 122.2(8) . 2_655 ?
Pt2 Pt10 Ni6 87.15(6) . 2_655 ?
Pt5 Pt10 Ni6 59.61(5) . 2_655 ?
Pt1 Pt10 Ni6 60.33(5) . 2_655 ?
C7 Pt10 Pt6 105.9(13) . 2_655 ?
C6 Pt10 Pt6 122.2(8) . 2_655 ?
Pt2 Pt10 Pt6 87.15(6) . 2_655 ?
Pt5 Pt10 Pt6 59.61(5) . 2_655 ?
Pt1 Pt10 Pt6 60.33(5) . 2_655 ?
Ni6 Pt10 Pt6 0.0 2_655 2_655 ?
C7 Pt10 Pt7 106.4(13) . . ?
C6 Pt10 Pt7 109.6(8) . . ?
Pt2 Pt10 Pt7 95.44(7) . . ?
Pt5 Pt10 Pt7 58.26(5) . . ?
Pt1 Pt10 Pt7 59.93(5) . . ?
Ni6 Pt10 Pt7 109.16(7) 2_655 . ?
Pt6 Pt10 Pt7 109.16(7) 2_655 . ?
O1 C1 Pt3 143(3) . . ?
O1 C1 Pt8 133(3) . . ?
Pt3 C1 Pt8 83.4(11) . . ?
O2 C2 Pt8 176(4) . . ?
O3 C3 Pt9 175(3) . . ?
O4 C4 Pt6 179(3) . . ?
O5 C5 Pt2 141(3) . . ?
O5 C5 Pt6 134(2) . . ?
Pt2 C5 Pt6 85.1(11) . . ?
O6 C6 Pt10 135(3) . . ?
O6 C6 Pt2 141(3) . . ?
Pt10 C6 Pt2 84.0(11) . . ?
O7 C7 Pt10 174(5) . . ?
O8 C8 Pt5 169(3) . . ?
O9 C9 Pt7 175(4) . . ?
O10 C10 Pt4 144(3) . . ?
O10 C10 Pt7 132(3) . . ?
Pt4 C10 Pt7 83.1(15) . . ?
O11 C11 Pt4 141(3) . . ?
O11 C11 Pt9 133(3) . . ?
Pt4 C11 Pt9 85.5(13) . . ?
C107 N1 C105 110(3) . . ?
C107 N1 C101 114(3) . . ?
C105 N1 C101 111(3) . . ?
C107 N1 C103 109(3) . . ?
C105 N1 C103 110(3) . . ?
C101 N1 C103 102(3) . . ?
N1 C101 C102 121(3) . . ?
N1 C101 H10A 107.1 . . ?
C102 C101 H10A 107.1 . . ?
N1 C101 H10B 107.1 . . ?
C102 C101 H10B 107.1 . . ?
H10A C101 H10B 106.8 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N1 C103 C104 119(3) . . ?
N1 C103 H10F 107.5 . . ?
C104 C103 H10F 107.5 . . ?
N1 C103 H10G 107.5 . . ?
C104 C103 H10G 107.5 . . ?
H10F C103 H10G 107.0 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
N1 C105 C106 115(4) . . ?
N1 C105 H10K 108.5 . . ?
C106 C105 H10K 108.5 . . ?
N1 C105 H10L 108.5 . . ?
C106 C105 H10L 108.5 . . ?
H10K C105 H10L 107.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
N1 C107 C108 113(3) . . ?
N1 C107 H10P 109.0 . . ?
C108 C107 H10P 109.0 . . ?
N1 C107 H10Q 109.0 . . ?
C108 C107 H10Q 109.0 . . ?
H10P C107 H10Q 107.8 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
H10R C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
C207 N2 C203 114(3) . . ?
C207 N2 C205 108(3) . . ?
C203 N2 C205 118(3) . . ?
C211 N2 C215 132(5) . . ?
C211 N2 C217 125(5) . . ?
C215 N2 C217 99(4) . . ?
C211 N2 C213 104(5) . . ?
C215 N2 C213 93(6) . . ?
C217 N2 C213 91.1(16) . . ?
C207 N2 C201 110(4) . . ?
C203 N2 C201 103(3) . . ?
C205 N2 C201 103(4) . . ?
N2 C201 C202 121(4) . . ?
N2 C201 H20A 107.1 . . ?
C202 C201 H20A 107.1 . . ?
N2 C201 H20B 107.1 . . ?
C202 C201 H20B 107.1 . . ?
H20A C201 H20B 106.8 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
H20C C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
N2 C203 C204 113(4) . . ?
N2 C203 H20F 109.1 . . ?
C204 C203 H20F 109.1 . . ?
N2 C203 H20G 109.1 . . ?
C204 C203 H20G 109.1 . . ?
H20F C203 H20G 107.8 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
N2 C205 C206 117(3) . . ?
N2 C205 H20K 108.1 . . ?
C206 C205 H20K 108.1 . . ?
N2 C205 H20L 108.1 . . ?
C206 C205 H20L 108.1 . . ?
H20K C205 H20L 107.3 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
N2 C207 C208 113(4) . . ?
N2 C207 H20P 109.0 . . ?
C208 C207 H20P 109.0 . . ?
N2 C207 H20Q 109.0 . . ?
C208 C207 H20Q 109.0 . . ?
H20P C207 H20Q 107.8 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
H20R C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
N2 C211 C212 87(6) . . ?
N2 C211 H21A 114.1 . . ?
C212 C211 H21A 114.1 . . ?
N2 C211 H21B 114.1 . . ?
C212 C211 H21B 114.1 . . ?
H21A C211 H21B 111.3 . . ?
C211 C212 H21C 109.5 . . ?
C211 C212 H21D 109.5 . . ?
H21C C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21C C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
N2 C213 C214 135(7) . . ?
N2 C213 H21F 103.3 . . ?
C214 C213 H21F 103.3 . . ?
N2 C213 H21G 103.3 . . ?
C214 C213 H21G 103.3 . . ?
H21F C213 H21G 105.2 . . ?
C213 C214 H21H 109.5 . . ?
C213 C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
C213 C214 H21J 109.5 . . ?
H21H C214 H21J 109.5 . . ?
H21I C214 H21J 109.5 . . ?
N2 C215 C216 113(6) . . ?
N2 C215 H21K 109.0 . . ?
C216 C215 H21K 109.0 . . ?
N2 C215 H21L 109.0 . . ?
C216 C215 H21L 109.0 . . ?
H21K C215 H21L 107.8 . . ?
C215 C216 H21M 109.5 . . ?
C215 C216 H21N 109.5 . . ?
H21M C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21M C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
N2 C217 C218 123(6) . . ?
N2 C217 H21P 106.6 . . ?
C218 C217 H21P 106.6 . . ?
N2 C217 H21Q 106.6 . . ?
C218 C217 H21Q 106.6 . . ?
H21P C217 H21Q 106.6 . . ?
C217 C218 H21R 109.5 . . ?
C217 C218 H21S 109.5 . . ?
H21R C218 H21S 109.5 . . ?
C217 C218 H21T 109.5 . . ?
H21R C218 H21T 109.5 . . ?
H21S C218 H21T 109.5 . . ?
O301 C301 C303 116(3) . . ?
O301 C301 C302 125(3) . . ?
C303 C301 C302 119(3) . . ?
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 Pt1 2.624(2) 2_655 ?
Pt1 Pt5 2.6359(15) . ?
Pt1 Pt10 2.727(2) . ?
Pt1 Ni9 2.7282(18) 2_655 ?
Pt1 Pt9 2.7282(18) 2_655 ?
Pt1 Pt3 2.7297(17) . ?
Pt1 Pt2 2.7326(15) 2_655 ?
Pt1 Ni8 2.7450(18) 2_655 ?
Pt1 Pt8 2.7450(18) 2_655 ?
Pt1 Pt2 2.7526(15) . ?
Pt1 Ni6 2.7742(17) 2_655 ?
Pt2 C5 1.94(3) . ?
Pt2 C6 1.98(3) . ?
Pt2 Pt10 2.646(2) . ?
Pt2 Pt6 2.6826(18) . ?
Pt2 Pt1 2.7325(15) 2_655 ?
Pt2 Pt4 2.8297(16) . ?
Pt2 Pt2 2.875(2) 2_655 ?
Pt3 C1 1.99(3) . ?
Pt3 C1 1.99(3) 2_655 ?
Pt3 Ni8 2.6684(15) 2_655 ?
Pt3 Pt8 2.6684(15) 2_655 ?
Pt3 Pt8 2.6686(15) . ?
Pt3 Pt1 2.7296(17) 2_655 ?
Pt3 Pt4 2.8632(14) . ?
Pt3 Pt4 2.8633(14) 2_655 ?
Pt4 C11 1.98(4) . ?
Pt4 C10 2.00(4) . ?
Pt4 Pt7 2.6780(19) . ?
Pt4 Pt9 2.693(2) . ?
Pt4 Pt1 2.7922(15) 2_655 ?
Pt5 C8 1.799(17) . ?
Pt5 Pt7 2.7018(18) . ?
Pt5 Ni8 2.7197(19) 2_655 ?
Pt5 Pt8 2.7197(19) 2_655 ?
Pt5 Pt10 2.722(2) . ?
Pt5 Ni9 2.7240(19) 2_655 ?
Pt5 Pt9 2.7240(19) 2_655 ?
Pt5 Ni6 2.7416(18) 2_655 ?
Pt5 Pt6 2.7416(18) 2_655 ?
Pt6 C4 1.76(4) . ?
Pt6 C5 2.02(3) . ?
Pt6 Pt5 2.7416(18) 2_655 ?
Pt6 Pt1 2.7743(17) 2_655 ?
Pt6 Ni10 2.793(2) 2_655 ?
Pt6 Pt10 2.793(2) 2_655 ?
Pt6 Pt9 2.8247(19) . ?
Pt7 C9 1.90(4) . ?
Pt7 C10 2.04(4) . ?
Pt7 Ni8 2.8149(19) 2_655 ?
Pt7 Pt8 2.8149(19) 2_655 ?
Pt7 Pt10 2.825(2) . ?
Pt8 C2 1.87(4) . ?
Pt8 C1 2.02(3) . ?
Pt8 Pt5 2.7197(19) 2_655 ?
Pt8 Pt1 2.7451(18) 2_655 ?
Pt8 Ni7 2.8150(19) 2_655 ?
Pt8 Pt7 2.8150(19) 2_655 ?
Pt8 Pt9 2.835(2) . ?
Pt9 C3 1.86(4) . ?
Pt9 C11 1.99(3) . ?
Pt9 Pt5 2.7239(19) 2_655 ?
Pt9 Pt1 2.7282(18) 2_655 ?
Pt10 C7 1.783(18) . ?
Pt10 C6 1.97(3) . ?
Pt10 Ni6 2.793(2) 2_655 ?
Pt10 Pt6 2.793(2) 2_655 ?
C1 O1 1.14(3) . ?
C2 O2 1.09(4) . ?
C3 O3 1.09(4) . ?
C4 O4 1.23(4) . ?
C5 O5 1.16(3) . ?
C6 O6 1.14(3) . ?
C7 O7 1.141(18) . ?
C8 O8 1.154(18) . ?
C9 O9 1.07(4) . ?
C10 O10 1.09(4) . ?
C11 O11 1.14(4) . ?
N1 C107 1.456(19) . ?
N1 C105 1.461(19) . ?
N1 C101 1.468(19) . ?
N1 C103 1.488(19) . ?
C101 C102 1.533(19) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 C104 1.505(19) . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 C106 1.52(2) . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 C108 1.53(2) . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
N2 C207 1.46(2) . ?
N2 C203 1.462(19) . ?
N2 C211 1.46(2) . ?
N2 C205 1.47(2) . ?
N2 C215 1.47(2) . ?
N2 C217 1.47(2) . ?
N2 C213 1.48(2) . ?
N2 C201 1.49(2) . ?
C201 C202 1.53(2) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 C204 1.53(2) . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 C206 1.53(2) . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 C208 1.52(2) . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C211 C212 1.53(2) . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C212 H21C 0.9800 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C213 C214 1.54(2) . ?
C213 H21F 0.9900 . ?
C213 H21G 0.9900 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C214 H21J 0.9800 . ?
C215 C216 1.53(2) . ?
C215 H21K 0.9900 . ?
C215 H21L 0.9900 . ?
C216 H21M 0.9800 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C217 C218 1.52(2) . ?
C217 H21P 0.9900 . ?
C217 H21Q 0.9900 . ?
C218 H21R 0.9800 . ?
C218 H21S 0.9800 . ?
C218 H21T 0.9800 . ?
O301 C301 1.210(18) . ?
C301 C303 1.499(19) . ?
C301 C302 1.504(19) . ?
C302 H30A 0.9800 . ?
C302 H30B 0.9800 . ?
C302 H30C 0.9800 . ?
C303 H30D 0.9800 . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
