# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_240830_pt_cp_1
_database_code_depnum_ccdc_archive 'CCDC 2381346'
loop_
_audit_author_name
_audit_author_address
'chengyao zhang'
;Zhejiang University of Technology
China
;
_audit_update_record             
;
2024-09-02 deposited with the CCDC.	2025-01-06 downloaded from the CCDC.
;
_audit_creation_date             2024-09-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H40.834 N4 Pt'
_chemical_formula_sum            'C45 H42 N4 Pt'
_chemical_formula_weight         833.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   38.7590(18)
_cell_length_b                   19.3350(9)
_cell_length_c                   12.2485(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.097(2)
_cell_angle_gamma                90
_cell_volume                     9036.9(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      57.918
_cell_measurement_theta_min      3.619
_shelx_estimated_absorpt_T_max   0.922
_shelx_estimated_absorpt_T_min   0.820
_exptl_absorpt_coefficient_mu    4.138
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0753 before and 0.0586 after correction.
The Ratio of minimum to maximum transmission is 0.7997.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3344
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_special_details           ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0879
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38379
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.873
_diffrn_reflns_theta_min         3.744
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III M28'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'ZJU Bruker D8 VENTURE Metaljet PHOTON III'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'liquid Metal X-ray source'
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_type              'Bruker Excillum Metaljet D2+'
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7374
_reflns_number_total             10392
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.432
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         10392
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0349P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1130
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C42-C45 \\sim C42-C45A
 with sigma of 0.02
 C42-C43 \\sim C42-C43A
 with sigma of 0.02
 C42-C44 \\sim C42-C44A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C35 \\sim C42 \\sim C45 \\sim C43 \\sim C44 \\sim C45A \\sim C43A \\sim C44A:
within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
4. Others
 Sof(C45A)=Sof(C43A)=Sof(H43D)=Sof(H43E)=Sof(H43F)=Sof(C44A)=1-FVAR(1)
 Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=
 Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C24(H24), C19(H19), C29(H29), C37(H37), C27(H27), C22(H22), C20(H20),
 C23(H23), C4(H4), C1(H1), C34(H34), C7(H7), C10(H10), C3(H3), C36(H36), C2(H2),
  C8(H8), C9(H9)
5.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C40(H40A,H40B,H40C), C41(H41A,H41B,
 H41C), C39(H39A,H39B,H39C), C45(H45A,H45B,H45C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C43A(H43D,H43E,H43F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.29309(2) 0.36342(2) 0.52230(2) 0.02727(7) Uani 1 1 d . . . . .
N3 N 0.26706(8) 0.31028(17) 0.6261(3) 0.0258(8) Uani 1 1 d . . . . .
N4 N 0.34019(9) 0.31933(18) 0.5931(3) 0.0290(8) Uani 1 1 d . . . . .
N1 N 0.31268(9) 0.43731(18) 0.4320(3) 0.0320(8) Uani 1 1 d . . . . .
N2 N 0.26359(9) 0.43868(19) 0.2842(3) 0.0334(9) Uani 1 1 d . . . . .
C21 C 0.23120(11) 0.3116(2) 0.5932(3) 0.0267(9) Uani 1 1 d . . . . .
C17 C 0.24556(11) 0.3836(2) 0.4459(4) 0.0283(9) Uani 1 1 d . . . . .
C18 C 0.21880(12) 0.3503(2) 0.4896(4) 0.0286(10) Uani 1 1 d . . . . .
C25 C 0.28166(11) 0.2797(2) 0.7241(3) 0.0246(9) Uani 1 1 d . . . . .
C24 C 0.25949(11) 0.2445(2) 0.7844(4) 0.0300(10) Uani 1 1 d . . . . .
H24 H 0.269224 0.221236 0.850948 0.036 Uiso 1 1 calc R U . . .
C5 C 0.29589(12) 0.4646(2) 0.3356(4) 0.0318(10) Uani 1 1 d . . . . .
C19 C 0.18439(12) 0.3512(2) 0.4354(4) 0.0307(10) Uani 1 1 d . . . . .
H19 H 0.166576 0.328693 0.466490 0.037 Uiso 1 1 calc R U . . .
C31 C 0.34520(11) 0.2950(2) 0.7001(4) 0.0279(9) Uani 1 1 d . . . . .
C30 C 0.38100(11) 0.2796(2) 0.7409(4) 0.0325(10) Uani 1 1 d . . . . .
C16 C 0.23662(11) 0.4134(2) 0.3411(4) 0.0298(9) Uani 1 1 d . . . . .
C15 C 0.20193(12) 0.4172(2) 0.2848(4) 0.0331(10) Uani 1 1 d . . . . .
C29 C 0.39230(12) 0.2631(3) 0.8512(4) 0.0375(11) Uani 1 1 d . . . . .
H29 H 0.416455 0.254529 0.877687 0.045 Uiso 1 1 calc R U . . .
C12 C 0.19432(13) 0.4537(2) 0.1718(4) 0.0380(11) Uani 1 1 d . . . . .
C28 C 0.36830(12) 0.2590(2) 0.9239(4) 0.0342(10) Uani 1 1 d . . . . .
C26 C 0.31977(12) 0.2822(2) 0.7666(4) 0.0286(10) Uani 1 1 d . . . . .
C37 C 0.38078(12) 0.3250(3) 0.4541(4) 0.0397(12) Uani 1 1 d . . . . .
H37 H 0.363520 0.340165 0.394010 0.048 Uiso 1 1 calc R U . . .
C27 C 0.33247(11) 0.2661(2) 0.8787(4) 0.0300(10) Uani 1 1 d . . . . .
H27 H 0.315901 0.259614 0.926478 0.036 Uiso 1 1 calc R U . . .
C33 C 0.39851(12) 0.2887(2) 0.6470(4) 0.0359(11) Uani 1 1 d . . . . .
C22 C 0.20938(12) 0.2777(2) 0.6524(4) 0.0330(10) Uani 1 1 d . . . . .
H22 H 0.184721 0.277775 0.627953 0.040 Uiso 1 1 calc R U . . .
C20 C 0.17638(12) 0.3856(2) 0.3345(4) 0.0367(11) Uani 1 1 d . . . . .
H20 H 0.152636 0.387563 0.298214 0.044 Uiso 1 1 calc R U . . .
C23 C 0.22414(12) 0.2434(2) 0.7485(4) 0.0333(10) Uani 1 1 d . . . . .
H23 H 0.209530 0.218801 0.789854 0.040 Uiso 1 1 calc R U . . .
C4 C 0.31069(13) 0.5190(2) 0.2846(4) 0.0385(11) Uani 1 1 d . . . . .
H4 H 0.298596 0.537705 0.216866 0.046 Uiso 1 1 calc R U . . .
C13 C 0.19732(13) 0.5331(2) 0.1912(4) 0.0422(12) Uani 1 1 d . . . . .
H13A H 0.220838 0.544370 0.231032 0.063 Uiso 1 1 calc R U . . .
H13B H 0.179836 0.548013 0.235140 0.063 Uiso 1 1 calc R U . . .
H13C H 0.193188 0.557053 0.119515 0.063 Uiso 1 1 calc R U . . .
C32 C 0.37233(11) 0.3134(2) 0.5587(4) 0.0314(10) Uani 1 1 d . . . . .
C1 C 0.34351(12) 0.4672(2) 0.4813(4) 0.0375(11) Uani 1 1 d . . . . .
H1 H 0.354234 0.450652 0.552147 0.045 Uiso 1 1 calc R U . . .
C11 C 0.22286(14) 0.4315(2) 0.1088(4) 0.0398(12) Uani 1 1 d . . . . .
C38 C 0.38212(12) 0.2499(3) 1.0489(4) 0.0402(12) Uani 1 1 d . . . . .
C6 C 0.25721(13) 0.4285(2) 0.1651(4) 0.0362(11) Uani 1 1 d . . . . .
C34 C 0.43285(12) 0.2783(3) 0.6292(4) 0.0456(13) Uani 1 1 d . . . . .
H34 H 0.450343 0.263122 0.688676 0.055 Uiso 1 1 calc R U . . .
C7 C 0.28492(14) 0.4100(2) 0.1131(4) 0.0427(12) Uani 1 1 d . . . . .
H7 H 0.308126 0.408156 0.153944 0.051 Uiso 1 1 calc R U . . .
C10 C 0.21543(14) 0.4138(2) -0.0053(4) 0.0406(12) Uani 1 1 d . . . . .
H10 H 0.192160 0.414686 -0.045752 0.049 Uiso 1 1 calc R U . . .
C14 C 0.15732(13) 0.4376(3) 0.1106(4) 0.0475(13) Uani 1 1 d . . . . .
H14A H 0.140170 0.452528 0.155744 0.071 Uiso 1 1 calc R U . . .
H14B H 0.154996 0.387655 0.097258 0.071 Uiso 1 1 calc R U . . .
H14C H 0.153071 0.462132 0.039509 0.071 Uiso 1 1 calc R U . . .
C3 C 0.34282(13) 0.5455(2) 0.3324(5) 0.0448(13) Uani 1 1 d . . . . .
H3 H 0.353492 0.581142 0.296493 0.054 Uiso 1 1 calc R U . . .
C36 C 0.41500(12) 0.3140(3) 0.4406(4) 0.0473(13) Uani 1 1 d . . . . .
H36 H 0.420905 0.323158 0.369897 0.057 Uiso 1 1 calc R U . . .
C35 C 0.44160(13) 0.2899(3) 0.5252(4) 0.0555(15) Uani 1 1 d . U . . .
C2 C 0.35964(13) 0.5189(3) 0.4355(5) 0.0466(13) Uani 1 1 d . . . . .
H2 H 0.381542 0.536701 0.471499 0.056 Uiso 1 1 calc R U . . .
C8 C 0.27840(17) 0.3941(3) 0.0009(4) 0.0496(14) Uani 1 1 d . . . . .
H8 H 0.297163 0.382878 -0.036567 0.059 Uiso 1 1 calc R U . . .
C40 C 0.40720(15) 0.1883(3) 1.0705(5) 0.0644(17) Uani 1 1 d . . . . .
H40A H 0.395092 0.146180 1.039934 0.097 Uiso 1 1 calc R U . . .
H40B H 0.415008 0.182661 1.150506 0.097 Uiso 1 1 calc R U . . .
H40C H 0.427559 0.196465 1.034720 0.097 Uiso 1 1 calc R U . . .
C9 C 0.24398(17) 0.3948(3) -0.0562(4) 0.0555(15) Uani 1 1 d . . . . .
H9 H 0.239574 0.382041 -0.132322 0.067 Uiso 1 1 calc R U . . .
C42 C 0.47955(15) 0.2774(4) 0.5057(5) 0.0716(19) Uani 1 1 d D U . . .
C41 C 0.40186(17) 0.3151(3) 1.0923(5) 0.0690(18) Uani 1 1 d . . . . .
H41A H 0.418997 0.326600 1.045000 0.104 Uiso 1 1 calc R U . . .
H41B H 0.414051 0.307295 1.168370 0.104 Uiso 1 1 calc R U . . .
H41C H 0.385262 0.353417 1.091355 0.104 Uiso 1 1 calc R U . . .
C39 C 0.35251(14) 0.2385(3) 1.1145(4) 0.0625(17) Uani 1 1 d . . . . .
H39A H 0.336617 0.278297 1.104403 0.094 Uiso 1 1 calc R U . . .
H39B H 0.362398 0.233338 1.193426 0.094 Uiso 1 1 calc R U . . .
H39C H 0.339536 0.196532 1.087887 0.094 Uiso 1 1 calc R U . . .
C45 C 0.4939(2) 0.2083(5) 0.5584(9) 0.078(3) Uani 0.806(11) 1 d D U P A 1
H45A H 0.490966 0.207090 0.636236 0.117 Uiso 0.806(11) 1 calc R U P A 1
H45B H 0.518770 0.204141 0.553956 0.117 Uiso 0.806(11) 1 calc R U P A 1
H45C H 0.480897 0.169825 0.518282 0.117 Uiso 0.806(11) 1 calc R U P A 1
C43 C 0.50354(19) 0.3357(5) 0.5729(8) 0.088(3) Uani 0.806(11) 1 d D U P A 1
H43A H 0.495448 0.381396 0.544635 0.132 Uiso 0.806(11) 1 calc R U P A 1
H43B H 0.527918 0.329013 0.563502 0.132 Uiso 0.806(11) 1 calc R U P A 1
H43C H 0.502011 0.332527 0.651725 0.132 Uiso 0.806(11) 1 calc R U P A 1
C44 C 0.4826(3) 0.2784(9) 0.3847(7) 0.116(5) Uani 0.806(11) 1 d D U P A 1
H44A H 0.470025 0.238623 0.347241 0.175 Uiso 0.806(11) 1 calc R U P A 1
H44B H 0.507341 0.275901 0.377596 0.175 Uiso 0.806(11) 1 calc R U P A 1
H44C H 0.472342 0.321254 0.350675 0.175 Uiso 0.806(11) 1 calc R U P A 1
C45A C 0.5021(12) 0.238(3) 0.602(3) 0.095(10) Uani 0.194(11) 1 d D U P A 2
C43A C 0.4880(10) 0.338(2) 0.428(4) 0.111(10) Uani 0.194(11) 1 d D U P A 2
H43D H 0.473920 0.332676 0.353626 0.166 Uiso 0.194(11) 1 calc R U P A 2
H43E H 0.512913 0.337550 0.422740 0.166 Uiso 0.194(11) 1 calc R U P A 2
H43F H 0.482240 0.382866 0.458850 0.166 Uiso 0.194(11) 1 calc R U P A 2
C44A C 0.4746(9) 0.220(2) 0.414(3) 0.090(9) Uani 0.194(11) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N3 2.035(3) . ?
Pt1 N4 2.063(3) . ?
Pt1 N1 2.034(3) . ?
Pt1 C17 1.954(4) . ?
N3 C21 1.378(5) . ?
N3 C25 1.368(5) . ?
N4 C31 1.374(5) . ?
N4 C32 1.388(5) . ?
N1 C5 1.351(6) . ?
N1 C1 1.369(6) . ?
N2 C5 1.392(6) . ?
N2 C16 1.440(5) . ?
N2 C6 1.449(6) . ?
C21 C18 1.480(6) . ?
C21 C22 1.373(6) . ?
C17 C18 1.404(6) . ?
C17 C16 1.394(6) . ?
C18 C19 1.381(6) . ?
C25 C24 1.402(6) . ?
C25 C26 1.478(6) . ?
C24 H24 0.9500 . ?
C24 C23 1.364(6) . ?
C5 C4 1.397(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(6) . ?
C31 C30 1.421(6) . ?
C31 C26 1.406(6) . ?
C30 C29 1.382(6) . ?
C30 C33 1.445(6) . ?
C16 C15 1.401(6) . ?
C15 C12 1.536(6) . ?
C15 C20 1.392(6) . ?
C29 H29 0.9500 . ?
C29 C28 1.398(6) . ?
C12 C13 1.555(6) . ?
C12 C11 1.518(7) . ?
C12 C14 1.529(6) . ?
C28 C27 1.409(6) . ?
C28 C38 1.541(6) . ?
C26 C27 1.410(6) . ?
C37 H37 0.9500 . ?
C37 C32 1.395(6) . ?
C37 C36 1.382(6) . ?
C27 H27 0.9500 . ?
C33 C32 1.429(6) . ?
C33 C34 1.400(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(6) . ?
C20 H20 0.9500 . ?
C23 H23 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.379(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C1 H1 0.9500 . ?
C1 C2 1.351(6) . ?
C11 C6 1.389(7) . ?
C11 C10 1.418(6) . ?
C38 C40 1.532(7) . ?
C38 C41 1.521(7) . ?
C38 C39 1.528(7) . ?
C6 C7 1.389(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.393(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.388(7) . ?
C10 H10 0.9500 . ?
C10 C9 1.411(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C2 1.414(7) . ?
C36 H36 0.9500 . ?
C36 C35 1.407(7) . ?
C35 C42 1.550(7) . ?
C2 H2 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.394(8) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C9 H9 0.9500 . ?
C42 C45 1.544(10) . ?
C42 C43 1.594(10) . ?
C42 C44 1.507(10) . ?
C42 C45A 1.54(2) . ?
C42 C43A 1.59(2) . ?
C42 C44A 1.56(2) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C43A H43D 0.9800 . ?
C43A H43E 0.9800 . ?
C43A H43F 0.9800 . ?

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
N3 Pt1 N4 91.59(13) . . ?
N1 Pt1 N3 165.46(14) . . ?
N1 Pt1 N4 97.57(14) . . ?
C17 Pt1 N3 82.61(16) . . ?
C17 Pt1 N4 167.02(15) . . ?
C17 Pt1 N1 90.54(17) . . ?
C21 N3 Pt1 113.1(3) . . ?
C25 N3 Pt1 126.3(3) . . ?
C25 N3 C21 120.4(3) . . ?
C31 N4 Pt1 120.6(3) . . ?
C31 N4 C32 106.1(3) . . ?
C32 N4 Pt1 133.0(3) . . ?
C5 N1 Pt1 125.5(3) . . ?
C5 N1 C1 118.0(4) . . ?
C1 N1 Pt1 115.9(3) . . ?
C5 N2 C16 125.0(4) . . ?
C5 N2 C6 119.0(4) . . ?
C16 N2 C6 115.5(4) . . ?
N3 C21 C18 114.8(4) . . ?
C22 C21 N3 121.3(4) . . ?
C22 C21 C18 123.8(4) . . ?
C18 C17 Pt1 115.0(3) . . ?
C16 C17 Pt1 125.8(3) . . ?
C16 C17 C18 117.3(4) . . ?
C17 C18 C21 114.1(4) . . ?
C19 C18 C21 124.0(4) . . ?
C19 C18 C17 121.8(4) . . ?
N3 C25 C24 118.3(4) . . ?
N3 C25 C26 121.9(4) . . ?
C24 C25 C26 119.8(4) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 C25 120.8(4) . . ?
C23 C24 H24 119.6 . . ?
N1 C5 N2 120.8(4) . . ?
N1 C5 C4 120.8(4) . . ?
N2 C5 C4 118.4(4) . . ?
C18 C19 H19 120.7 . . ?
C18 C19 C20 118.6(4) . . ?
C20 C19 H19 120.7 . . ?
N4 C31 C30 111.9(4) . . ?
N4 C31 C26 128.0(4) . . ?
C26 C31 C30 120.0(4) . . ?
C31 C30 C33 105.1(4) . . ?
C29 C30 C31 121.0(4) . . ?
C29 C30 C33 133.9(4) . . ?
C17 C16 N2 120.1(4) . . ?
C17 C16 C15 122.5(4) . . ?
C15 C16 N2 117.3(4) . . ?
C16 C15 C12 119.0(4) . . ?
C20 C15 C16 117.2(4) . . ?
C20 C15 C12 123.9(4) . . ?
C30 C29 H29 119.9 . . ?
C30 C29 C28 120.2(4) . . ?
C28 C29 H29 119.9 . . ?
C15 C12 C13 108.6(4) . . ?
C11 C12 C15 106.6(4) . . ?
C11 C12 C13 108.4(4) . . ?
C11 C12 C14 113.4(4) . . ?
C14 C12 C15 111.3(4) . . ?
C14 C12 C13 108.4(4) . . ?
C29 C28 C27 117.7(4) . . ?
C29 C28 C38 119.0(4) . . ?
C27 C28 C38 123.3(4) . . ?
C31 C26 C25 124.1(4) . . ?
C31 C26 C27 116.2(4) . . ?
C27 C26 C25 119.5(4) . . ?
C32 C37 H37 121.0 . . ?
C36 C37 H37 121.0 . . ?
C36 C37 C32 118.0(4) . . ?
C28 C27 C26 123.8(4) . . ?
C28 C27 H27 118.1 . . ?
C26 C27 H27 118.1 . . ?
C32 C33 C30 105.8(4) . . ?
C34 C33 C30 134.3(4) . . ?
C34 C33 C32 119.9(4) . . ?
C21 C22 H22 120.8 . . ?
C21 C22 C23 118.5(4) . . ?
C23 C22 H22 120.8 . . ?
C19 C20 C15 122.3(4) . . ?
C19 C20 H20 118.9 . . ?
C15 C20 H20 118.9 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.1(4) . . ?
C3 C4 H4 120.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C32 C37 129.3(4) . . ?
N4 C32 C33 110.7(4) . . ?
C37 C32 C33 119.9(4) . . ?
N1 C1 H1 117.9 . . ?
C2 C1 N1 124.1(5) . . ?
C2 C1 H1 117.9 . . ?
C6 C11 C12 118.7(4) . . ?
C6 C11 C10 119.4(5) . . ?
C10 C11 C12 121.9(5) . . ?
C40 C38 C28 111.1(4) . . ?
C41 C38 C28 108.6(4) . . ?
C41 C38 C40 108.6(5) . . ?
C41 C38 C39 108.3(5) . . ?
C39 C38 C28 112.1(4) . . ?
C39 C38 C40 108.0(4) . . ?
C11 C6 N2 118.3(4) . . ?
C11 C6 C7 122.3(5) . . ?
C7 C6 N2 119.2(4) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(5) . . ?
C35 C34 H34 119.7 . . ?
C6 C7 H7 120.3 . . ?
C8 C7 C6 119.4(5) . . ?
C8 C7 H7 120.3 . . ?
C11 C10 H10 121.3 . . ?
C9 C10 C11 117.3(5) . . ?
C9 C10 H10 121.3 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C4 C3 H3 120.5 . . ?
C4 C3 C2 119.0(4) . . ?
C2 C3 H3 120.5 . . ?
C37 C36 H36 118.1 . . ?
C37 C36 C35 123.9(5) . . ?
C35 C36 H36 118.1 . . ?
C34 C35 C36 117.6(5) . . ?
C34 C35 C42 120.4(5) . . ?
C36 C35 C42 122.1(5) . . ?
C1 C2 C3 117.8(5) . . ?
C1 C2 H2 121.1 . . ?
C3 C2 H2 121.1 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.1(5) . . ?
C9 C8 H8 120.4 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C10 C9 H9 118.8 . . ?
C8 C9 C10 122.5(5) . . ?
C8 C9 H9 118.8 . . ?
C35 C42 C43 107.1(5) . . ?
C35 C42 C43A 106.1(15) . . ?
C35 C42 C44A 102.7(13) . . ?
C45 C42 C35 110.6(6) . . ?
C45 C42 C43 105.2(7) . . ?
C44 C42 C35 112.9(6) . . ?
C44 C42 C45 109.7(8) . . ?
C44 C42 C43 111.1(8) . . ?
C45A C42 C35 112.6(19) . . ?
C45A C42 C43A 133(3) . . ?
C45A C42 C44A 100(3) . . ?
C44A C42 C43A 96(3) . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C43A H43D 109.5 . . ?
C42 C43A H43E 109.5 . . ?
C42 C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.699 541.7 123.1 ?
2 0.000 0.500 -0.878 921.7 336.1 ?
3 0.500 0.000 -0.902 921.7 336.1 ?
4 0.500 0.500 -0.319 541.7 123.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_240830_pt_cp_2
_database_code_depnum_ccdc_archive 'CCDC 2381347'
loop_
_audit_author_name
_audit_author_address
'chengyao zhang'
;Zhejiang University of Technology
China
;
_audit_update_record             
;
2024-09-02 deposited with the CCDC.	2025-01-06 downloaded from the CCDC.
;
_audit_creation_date             2024-09-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H42 N4 Pt'
_chemical_formula_sum            'C45 H42 N4 Pt'
_chemical_formula_weight         833.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2751(6)
_cell_length_b                   16.9466(7)
_cell_length_c                   19.2822(8)
_cell_angle_alpha                80.219(2)
_cell_angle_beta                 87.400(2)
_cell_angle_gamma                74.135(2)
_cell_volume                     3802.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      60.663
_cell_measurement_theta_min      2.390
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.791
_exptl_absorpt_coefficient_mu    4.917
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0766 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.8419.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1672
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_special_details           ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_unetI/netI     0.1460
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            48123
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.902
_diffrn_reflns_theta_min         2.023
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III M28'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'ZJU Bruker D8 VENTURE Metaljet PHOTON III'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'liquid Metal X-ray source'
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_type              'Bruker Excillum Metaljet D2+'
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10481
_reflns_number_total             13879
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.651
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.799
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         13879
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0425
_refine_ls_restrained_S_all      0.796
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1273
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C87-C90 \\sim C87-C90A
 with sigma of 0.02
 C42-C44 \\sim C42-C44A
 with sigma of 0.02
 C87-C89 \\sim C87-C89A
 with sigma of 0.02
 C87-C88 \\sim C87-C88A
 with sigma of 0.02
 C42-C43 \\sim C42-C43A
 with sigma of 0.02
 C42-C45 \\sim C42-C45A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C42 \\sim C43 \\sim C43A \\sim C44 \\sim C44A \\sim C45 \\sim C45A: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
C87 \\sim C88 \\sim C88A \\sim C89 \\sim C89A \\sim C90 \\sim C90A: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Uanis(C88A) \\sim Ueq, Uanis(C90A) \\sim Ueq, Uanis(C90) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C45A) \\sim Ueq, Uanis(C44A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C88) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Sof(C88A)=Sof(H88D)=Sof(H88E)=Sof(H88F)=Sof(C89A)=Sof(H89D)=Sof(H89E)=
 Sof(H89F)=Sof(C90A)=Sof(H90D)=Sof(H90E)=Sof(H90F)=1-FVAR(1)
 Sof(C88)=Sof(H88A)=Sof(H88B)=Sof(H88C)=Sof(C89)=Sof(H89A)=Sof(H89B)=Sof(H89C)=
 Sof(C90)=Sof(H90A)=Sof(H90B)=Sof(H90C)=FVAR(1)
 Sof(C43A)=Sof(H43D)=Sof(H43E)=Sof(H43F)=Sof(C44A)=Sof(H44D)=Sof(H44E)=
 Sof(H44F)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=1-FVAR(2)
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=
 Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(2)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16),
 C17(H17), C18(H18), C22(H22), C23(H23), C24(H24), C27(H27), C29(H29), C34(H34),
  C36(H36), C37(H37), C46(H46), C47(H47), C48(H48), C56(H56), C57(H57),
 C58(H58), C59(H59), C61(H61), C62(H62), C63(H63), C67(H67), C68(H68), C69(H69),
  C72(H72), C74(H74), C79(H79), C81(H81), C82(H82)
5.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C39(H39A,H39B,H39C), C40(H40A,H40B,
 H40C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C43A(H43D,H43E,H43F),
 C44(H44A,H44B,H44C), C44A(H44D,H44E,H44F), C45(H45A,H45B,H45C), C45A(H45D,H45E,
 H45F), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C84(H84A,H84B,H84C), C85(H85A,
 H85B,H85C), C86(H86A,H86B,H86C), C88(H88A,H88B,H88C), C88A(H88D,H88E,H88F),
 C89(H89A,H89B,H89C), C89A(H89D,H89E,H89F), C90(H90A,H90B,H90C), C90A(H90D,H90E,
 H90F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.58173(2) 0.47085(2) 0.87867(2) 0.01912(9) Uani 1 1 d . . . . .
N1 N 0.4751(4) 0.5192(3) 0.7953(2) 0.0213(10) Uani 1 1 d . . . . .
N2 N 0.5142(4) 0.6508(3) 0.7744(2) 0.0245(11) Uani 1 1 d . . . . .
N3 N 0.6540(4) 0.4393(3) 0.9759(2) 0.0187(10) Uani 1 1 d . . . . .
N4 N 0.6261(4) 0.3488(3) 0.8625(2) 0.0199(10) Uani 1 1 d . . . . .
C1 C 0.4092(5) 0.4722(4) 0.7810(3) 0.0229(13) Uani 1 1 d . . . . .
H1 H 0.421764 0.417549 0.806795 0.027 Uiso 1 1 calc R U . . .
C2 C 0.3250(5) 0.4988(3) 0.7313(3) 0.0259(13) Uani 1 1 d . . . . .
H2 H 0.282216 0.462559 0.722327 0.031 Uiso 1 1 calc R U . . .
C3 C 0.3031(5) 0.5785(4) 0.6947(3) 0.0269(14) Uani 1 1 d . . . . .
H3 H 0.246250 0.597507 0.659323 0.032 Uiso 1 1 calc R U . . .
C4 C 0.3648(5) 0.6309(4) 0.7098(3) 0.0218(12) Uani 1 1 d . . . . .
C5 C 0.4516(5) 0.5989(4) 0.7605(3) 0.0241(13) Uani 1 1 d . . . . .
C6 C 0.5367(5) 0.7089(4) 0.7153(3) 0.0244(13) Uani 1 1 d . . . . .
C7 C 0.4525(5) 0.7429(4) 0.6636(3) 0.0262(13) Uani 1 1 d . . . . .
C8 C 0.3402(5) 0.7226(4) 0.6775(3) 0.0256(13) Uani 1 1 d . . . . .
C9 C 0.2746(5) 0.7747(4) 0.7328(3) 0.0282(14) Uani 1 1 d . . . . .
H9A H 0.200732 0.763317 0.741712 0.042 Uiso 1 1 calc R U . . .
H9B H 0.263713 0.833999 0.714745 0.042 Uiso 1 1 calc R U . . .
H9C H 0.318157 0.759651 0.776679 0.042 Uiso 1 1 calc R U . . .
C10 C 0.2667(5) 0.7433(4) 0.6112(3) 0.0302(14) Uani 1 1 d . . . . .
H10A H 0.305256 0.709209 0.576409 0.045 Uiso 1 1 calc R U . . .
H10B H 0.254347 0.802302 0.591331 0.045 Uiso 1 1 calc R U . . .
H10C H 0.193635 0.731739 0.623344 0.045 Uiso 1 1 calc R U . . .
C11 C 0.4782(6) 0.7947(4) 0.6036(3) 0.0316(15) Uani 1 1 d . . . . .
H11 H 0.423865 0.817331 0.566911 0.038 Uiso 1 1 calc R U . . .
C12 C 0.5815(6) 0.8129(4) 0.5973(3) 0.0373(16) Uani 1 1 d . . . . .
H12 H 0.597697 0.848271 0.556723 0.045 Uiso 1 1 calc R U . . .
C13 C 0.6605(6) 0.7800(4) 0.6496(3) 0.0348(15) Uani 1 1 d . . . . .
H13 H 0.730736 0.793934 0.645049 0.042 Uiso 1 1 calc R U . . .
C14 C 0.6415(5) 0.7279(4) 0.7082(3) 0.0305(14) Uani 1 1 d . . . . .
H14 H 0.698071 0.704916 0.743540 0.037 Uiso 1 1 calc R U . . .
C15 C 0.5481(5) 0.6552(4) 0.8441(3) 0.0223(12) Uani 1 1 d . . . . .
C16 C 0.5537(5) 0.7311(4) 0.8611(3) 0.0291(14) Uani 1 1 d . . . . .
H16 H 0.533100 0.780244 0.827056 0.035 Uiso 1 1 calc R U . . .
C17 C 0.5888(5) 0.7348(4) 0.9264(3) 0.0309(14) Uani 1 1 d . . . . .
H17 H 0.587989 0.787079 0.938430 0.037 Uiso 1 1 calc R U . . .
C18 C 0.6252(5) 0.6637(4) 0.9750(3) 0.0263(13) Uani 1 1 d . . . . .
H18 H 0.654461 0.666357 1.019053 0.032 Uiso 1 1 calc R U . . .
C19 C 0.6193(5) 0.5877(4) 0.9595(3) 0.0247(13) Uani 1 1 d . . . . .
C20 C 0.5740(5) 0.5826(3) 0.8949(3) 0.0213(12) Uani 1 1 d . . . . .
C21 C 0.6630(5) 0.5070(4) 1.0032(3) 0.0222(12) Uani 1 1 d . . . . .
C22 C 0.7128(5) 0.4978(4) 1.0689(3) 0.0307(15) Uani 1 1 d . . . . .
H22 H 0.718542 0.545025 1.087395 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7529(5) 0.4195(4) 1.1061(3) 0.0306(15) Uani 1 1 d . . . . .
H23 H 0.789173 0.411744 1.150209 0.037 Uiso 1 1 calc R U . . .
C24 C 0.7407(5) 0.3524(4) 1.0798(3) 0.0262(13) Uani 1 1 d . . . . .
H24 H 0.768951 0.298277 1.106022 0.031 Uiso 1 1 calc R U . . .
C25 C 0.6879(5) 0.3616(4) 1.0155(3) 0.0222(12) Uani 1 1 d . . . . .
C26 C 0.6754(5) 0.2873(4) 0.9895(3) 0.0242(13) Uani 1 1 d . . . . .
C27 C 0.6941(5) 0.2105(4) 1.0364(3) 0.0271(14) Uani 1 1 d . . . . .
H27 H 0.702590 0.211426 1.084911 0.033 Uiso 1 1 calc R U . . .
C28 C 0.7010(5) 0.1347(4) 1.0169(3) 0.0302(15) Uani 1 1 d . . . . .
C29 C 0.6936(6) 0.1338(4) 0.9451(3) 0.0321(15) Uani 1 1 d . . . . .
H29 H 0.702491 0.082281 0.929200 0.039 Uiso 1 1 calc R U . . .
C30 C 0.6738(5) 0.2055(4) 0.8970(3) 0.0265(14) Uani 1 1 d . . . . .
C31 C 0.6544(5) 0.2830(4) 0.9190(3) 0.0242(13) Uani 1 1 d . . . . .
C32 C 0.6337(5) 0.3106(4) 0.8033(3) 0.0260(13) Uani 1 1 d . . . . .
C33 C 0.6635(5) 0.2229(4) 0.8205(3) 0.0248(13) Uani 1 1 d . . . . .
C34 C 0.6727(5) 0.1736(4) 0.7686(3) 0.0283(14) Uani 1 1 d . . . . .
H34 H 0.692267 0.114747 0.781344 0.034 Uiso 1 1 calc R U . . .
C35 C 0.6539(5) 0.2092(4) 0.6989(3) 0.0309(15) Uani 1 1 d . . . . .
C36 C 0.6287(5) 0.2963(4) 0.6823(3) 0.0309(14) Uani 1 1 d . . . . .
H36 H 0.618098 0.321286 0.634202 0.037 Uiso 1 1 calc R U . . .
C37 C 0.6185(5) 0.3476(4) 0.7325(3) 0.0256(13) Uani 1 1 d . . . . .
H37 H 0.601619 0.406237 0.719193 0.031 Uiso 1 1 calc R U . . .
C38 C 0.7141(7) 0.0551(4) 1.0707(3) 0.0418(18) Uani 1 1 d . . . . .
C39 C 0.6180(8) 0.0162(5) 1.0623(4) 0.059(2) Uani 1 1 d . . . . .
H39A H 0.622383 -0.000093 1.015649 0.088 Uiso 1 1 calc R U . . .
H39B H 0.545127 0.056683 1.067371 0.088 Uiso 1 1 calc R U . . .
H39C H 0.624863 -0.033047 1.098571 0.088 Uiso 1 1 calc R U . . .
C40 C 0.8272(7) -0.0074(5) 1.0563(4) 0.054(2) Uani 1 1 d . . . . .
H40A H 0.838290 -0.058020 1.091342 0.081 Uiso 1 1 calc R U . . .
H40B H 0.889695 0.017599 1.059214 0.081 Uiso 1 1 calc R U . . .
H40C H 0.825315 -0.021242 1.009106 0.081 Uiso 1 1 calc R U . . .
C41 C 0.7166(8) 0.0691(4) 1.1465(3) 0.052(2) Uani 1 1 d . . . . .
H41A H 0.719739 0.016941 1.178472 0.078 Uiso 1 1 calc R U . . .
H41B H 0.648177 0.111621 1.156060 0.078 Uiso 1 1 calc R U . . .
H41C H 0.783613 0.087584 1.153697 0.078 Uiso 1 1 calc R U . . .
C42 C 0.6604(6) 0.1559(4) 0.6409(3) 0.0404(17) Uani 1 1 d D U . . .
C43 C 0.5464(9) 0.1782(7) 0.6043(5) 0.059(3) Uani 0.784(9) 1 d D U P A 1
H43A H 0.487510 0.172296 0.639227 0.089 Uiso 0.784(9) 1 calc R U P A 1
H43B H 0.549303 0.140972 0.570123 0.089 Uiso 0.784(9) 1 calc R U P A 1
H43C H 0.529037 0.235854 0.579794 0.089 Uiso 0.784(9) 1 calc R U P A 1
C43A C 0.573(3) 0.107(2) 0.6643(18) 0.059(9) Uani 0.216(9) 1 d D U P A 2
H43D H 0.569368 0.096028 0.715828 0.088 Uiso 0.216(9) 1 calc R U P A 2
H43E H 0.595183 0.053679 0.646583 0.088 Uiso 0.216(9) 1 calc R U P A 2
H43F H 0.498210 0.139069 0.645416 0.088 Uiso 0.216(9) 1 calc R U P A 2
C44 C 0.7497(10) 0.1744(8) 0.5830(5) 0.071(4) Uani 0.784(9) 1 d D U P A 1
H44A H 0.727932 0.233592 0.562819 0.106 Uiso 0.784(9) 1 calc R U P A 1
H44B H 0.751748 0.141188 0.545794 0.106 Uiso 0.784(9) 1 calc R U P A 1
H44C H 0.824880 0.159793 0.604631 0.106 Uiso 0.784(9) 1 calc R U P A 1
C44A C 0.624(3) 0.2123(17) 0.5709(11) 0.036(7) Uani 0.216(9) 1 d D U P A 2
H44D H 0.543578 0.242603 0.573434 0.054 Uiso 0.216(9) 1 calc R U P A 2
H44E H 0.634143 0.178479 0.533349 0.054 Uiso 0.216(9) 1 calc R U P A 2
H44F H 0.669538 0.251937 0.560868 0.054 Uiso 0.216(9) 1 calc R U P A 2
C45 C 0.6970(13) 0.0657(6) 0.6652(5) 0.072(4) Uani 0.784(9) 1 d D U P A 1
H45A H 0.766792 0.051756 0.692804 0.108 Uiso 0.784(9) 1 calc R U P A 1
H45B H 0.711029 0.036716 0.624468 0.108 Uiso 0.784(9) 1 calc R U P A 1
H45C H 0.637667 0.048359 0.694589 0.108 Uiso 0.784(9) 1 calc R U P A 1
C45A C 0.7786(19) 0.105(2) 0.6418(17) 0.043(7) Uani 0.216(9) 1 d D U P A 2
H45D H 0.829190 0.141798 0.637393 0.064 Uiso 0.216(9) 1 calc R U P A 2
H45E H 0.791434 0.074325 0.602304 0.064 Uiso 0.216(9) 1 calc R U P A 2
H45F H 0.794164 0.066299 0.686148 0.064 Uiso 0.216(9) 1 calc R U P A 2
Pt2 Pt 1.06289(2) 0.53945(2) 0.61490(2) 0.01867(9) Uani 1 1 d . . . . .
N5 N 0.9943(4) 0.4939(3) 0.7056(2) 0.0206(10) Uani 1 1 d . . . . .
N6 N 1.1314(4) 0.3617(3) 0.7241(2) 0.0238(11) Uani 1 1 d . . . . .
N7 N 1.1060(4) 0.5675(3) 0.5128(2) 0.0213(10) Uani 1 1 d . . . . .
N8 N 1.0146(4) 0.6632(3) 0.6259(2) 0.0182(10) Uani 1 1 d . . . . .
C46 C 0.8923(5) 0.5424(4) 0.7242(3) 0.0253(13) Uani 1 1 d . . . . .
H46 H 0.864205 0.596481 0.697766 0.030 Uiso 1 1 calc R U . . .
C47 C 0.8294(5) 0.5171(4) 0.7786(3) 0.0323(15) Uani 1 1 d . . . . .
H47 H 0.760224 0.553671 0.790751 0.039 Uiso 1 1 calc R U . . .
C48 C 0.8670(5) 0.4369(4) 0.8168(3) 0.0318(15) Uani 1 1 d . . . . .
H48 H 0.823891 0.418594 0.855240 0.038 Uiso 1 1 calc R U . . .
C49 C 0.9662(5) 0.3848(4) 0.7984(3) 0.0270(13) Uani 1 1 d . . . . .
C50 C 1.0298(5) 0.4155(3) 0.7418(3) 0.0210(12) Uani 1 1 d . . . . .
C51 C 1.1956(5) 0.3073(3) 0.7820(3) 0.0264(14) Uani 1 1 d . . . . .
C52 C 1.1362(5) 0.2773(3) 0.8392(3) 0.0244(13) Uani 1 1 d . . . . .
C53 C 1.0094(5) 0.2935(4) 0.8314(3) 0.0285(14) Uani 1 1 d . . . . .
C54 C 0.9854(6) 0.2391(4) 0.7809(3) 0.0337(15) Uani 1 1 d . . . . .
H54A H 0.903601 0.252547 0.772901 0.050 Uiso 1 1 calc R U . . .
H54B H 1.013560 0.180304 0.801603 0.050 Uiso 1 1 calc R U . . .
H54C H 1.023701 0.249686 0.735938 0.050 Uiso 1 1 calc R U . . .
C55 C 0.9489(6) 0.2755(4) 0.9012(3) 0.0382(17) Uani 1 1 d . . . . .
H55A H 0.956537 0.313819 0.932226 0.057 Uiso 1 1 calc R U . . .
H55B H 0.983101 0.218085 0.923755 0.057 Uiso 1 1 calc R U . . .
H55C H 0.868525 0.282894 0.892173 0.057 Uiso 1 1 calc R U . . .
C56 C 1.1989(6) 0.2313(4) 0.8991(3) 0.0302(14) Uani 1 1 d . . . . .
H56 H 1.160071 0.211767 0.939248 0.036 Uiso 1 1 calc R U . . .
C57 C 1.3144(6) 0.2140(4) 0.9009(3) 0.0327(15) Uani 1 1 d . . . . .
H57 H 1.354803 0.182976 0.941990 0.039 Uiso 1 1 calc R U . . .
C58 C 1.3725(6) 0.2417(4) 0.8425(4) 0.0362(16) Uani 1 1 d . . . . .
H58 H 1.452881 0.228243 0.843331 0.043 Uiso 1 1 calc R U . . .
C59 C 1.3140(5) 0.2891(4) 0.7828(3) 0.0295(14) Uani 1 1 d . . . . .
H59 H 1.353612 0.308962 0.743185 0.035 Uiso 1 1 calc R U . . .
C60 C 1.1676(5) 0.3559(4) 0.6530(3) 0.0229(13) Uani 1 1 d . . . . .
C61 C 1.2286(5) 0.2790(4) 0.6366(3) 0.0259(13) Uani 1 1 d . . . . .
H61 H 1.242895 0.230991 0.671943 0.031 Uiso 1 1 calc R U . . .
C62 C 1.2689(6) 0.2724(4) 0.5683(3) 0.0333(15) Uani 1 1 d . . . . .
H62 H 1.310792 0.220019 0.557334 0.040 Uiso 1 1 calc R U . . .
C63 C 1.2474(5) 0.3429(4) 0.5161(3) 0.0298(14) Uani 1 1 d . . . . .
H63 H 1.275023 0.338734 0.469678 0.036 Uiso 1 1 calc R U . . .
C64 C 1.1854(5) 0.4190(4) 0.5327(3) 0.0248(13) Uani 1 1 d . . . . .
C65 C 1.1392(5) 0.4263(3) 0.6008(3) 0.0211(12) Uani 1 1 d . . . . .
C66 C 1.1654(5) 0.4987(4) 0.4847(3) 0.0210(12) Uani 1 1 d . . . . .
C67 C 1.2026(5) 0.5050(4) 0.4166(3) 0.0288(14) Uani 1 1 d . . . . .
H67 H 1.243008 0.456455 0.398599 0.035 Uiso 1 1 calc R U . . .
C68 C 1.1817(6) 0.5813(4) 0.3741(3) 0.0308(15) Uani 1 1 d . . . . .
H68 H 1.208930 0.586537 0.327080 0.037 Uiso 1 1 calc R U . . .
C69 C 1.1194(5) 0.6508(4) 0.4019(3) 0.0284(14) Uani 1 1 d . . . . .
H69 H 1.105014 0.704137 0.373483 0.034 Uiso 1 1 calc R U . . .
C70 C 1.0775(5) 0.6438(4) 0.4709(3) 0.0236(13) Uani 1 1 d . . . . .
C71 C 1.0101(5) 0.7180(4) 0.4970(3) 0.0232(13) Uani 1 1 d . . . . .
C72 C 0.9644(5) 0.7912(4) 0.4486(3) 0.0274(14) Uani 1 1 d . . . . .
H72 H 0.972224 0.787615 0.399879 0.033 Uiso 1 1 calc R U . . .
C73 C 0.9085(5) 0.8689(4) 0.4670(3) 0.0264(13) Uani 1 1 d . . . . .
C74 C 0.9010(5) 0.8748(4) 0.5388(3) 0.0248(13) Uani 1 1 d . . . . .
H74 H 0.867152 0.926922 0.553333 0.030 Uiso 1 1 calc R U . . .
C75 C 0.9430(5) 0.8049(4) 0.5887(3) 0.0220(12) Uani 1 1 d . . . . .
C76 C 0.9892(5) 0.7248(4) 0.5687(3) 0.0210(12) Uani 1 1 d . . . . .
C77 C 0.9944(5) 0.7039(4) 0.6850(3) 0.0215(12) Uani 1 1 d . . . . .
C78 C 0.9480(5) 0.7902(4) 0.6645(3) 0.0226(13) Uani 1 1 d . . . . .
C79 C 0.9208(5) 0.8419(4) 0.7148(3) 0.0289(14) Uani 1 1 d . . . . .
H79 H 0.890474 0.900039 0.700294 0.035 Uiso 1 1 calc R U . . .
C80 C 0.9371(5) 0.8101(4) 0.7869(3) 0.0299(14) Uani 1 1 d . . . . .
C81 C 0.9843(5) 0.7231(4) 0.8048(3) 0.0291(14) Uani 1 1 d . . . . .
H81 H 0.997662 0.699924 0.853086 0.035 Uiso 1 1 calc R U . . .
C82 C 1.0121(5) 0.6698(4) 0.7556(3) 0.0253(13) Uani 1 1 d . . . . .
H82 H 1.042534 0.611668 0.769906 0.030 Uiso 1 1 calc R U . . .
C83 C 0.8588(6) 0.9457(4) 0.4110(3) 0.0304(14) Uani 1 1 d . . . . .
C84 C 0.8730(7) 0.9279(4) 0.3362(3) 0.051(2) Uani 1 1 d . . . . .
H84A H 0.953857 0.909220 0.325311 0.077 Uiso 1 1 calc R U . . .
H84B H 0.837826 0.978711 0.303520 0.077 Uiso 1 1 calc R U . . .
H84C H 0.836586 0.884432 0.331247 0.077 Uiso 1 1 calc R U . . .
C85 C 0.7305(7) 0.9790(5) 0.4249(4) 0.057(2) Uani 1 1 d . . . . .
H85A H 0.693443 0.934532 0.425045 0.086 Uiso 1 1 calc R U . . .
H85B H 0.697341 1.025617 0.387813 0.086 Uiso 1 1 calc R U . . .
H85C H 0.719448 0.997867 0.470661 0.086 Uiso 1 1 calc R U . . .
C86 C 0.9182(7) 1.0135(4) 0.4165(4) 0.0453(19) Uani 1 1 d . . . . .
H86A H 0.904209 1.030091 0.463035 0.068 Uiso 1 1 calc R U . . .
H86B H 0.888445 1.061847 0.380135 0.068 Uiso 1 1 calc R U . . .
H86C H 0.999908 0.991706 0.409689 0.068 Uiso 1 1 calc R U . . .
C87 C 0.9038(6) 0.8657(4) 0.8437(3) 0.0383(16) Uani 1 1 d D U . . .
C88 C 0.939(2) 0.8219(12) 0.9180(7) 0.068(5) Uani 0.56(2) 1 d D U P B 1
H88A H 0.905757 0.774655 0.930005 0.102 Uiso 0.56(2) 1 calc R U P B 1
H88B H 0.911101 0.860858 0.951122 0.102 Uiso 0.56(2) 1 calc R U P B 1
H88C H 1.021330 0.801770 0.920824 0.102 Uiso 0.56(2) 1 calc R U P B 1
C88A C 0.9934(17) 0.8338(10) 0.9058(8) 0.034(5) Uani 0.44(2) 1 d D U P B 2
H88D H 0.998057 0.775512 0.924868 0.051 Uiso 0.44(2) 1 calc R U P B 2
H88E H 0.969817 0.867647 0.943096 0.051 Uiso 0.44(2) 1 calc R U P B 2
H88F H 1.067808 0.838384 0.887935 0.051 Uiso 0.44(2) 1 calc R U P B 2
C89 C 0.7711(12) 0.8958(10) 0.8405(9) 0.056(5) Uani 0.56(2) 1 d D U P B 1
H89A H 0.746843 0.921594 0.792304 0.084 Uiso 0.56(2) 1 calc R U P B 1
H89B H 0.743565 0.936567 0.872201 0.084 Uiso 0.56(2) 1 calc R U P B 1
H89C H 0.739913 0.848143 0.855149 0.084 Uiso 0.56(2) 1 calc R U P B 1
C89A C 0.7928(19) 0.854(2) 0.8812(14) 0.078(7) Uani 0.44(2) 1 d D U P B 2
H89D H 0.727441 0.887925 0.852330 0.117 Uiso 0.44(2) 1 calc R U P B 2
H89E H 0.787743 0.872465 0.927163 0.117 Uiso 0.44(2) 1 calc R U P B 2
H89F H 0.793382 0.795653 0.887691 0.117 Uiso 0.44(2) 1 calc R U P B 2
C90 C 0.9433(16) 0.9421(9) 0.8230(14) 0.040(5) Uani 0.56(2) 1 d D U P B 1
H90A H 1.026204 0.927128 0.823969 0.060 Uiso 0.56(2) 1 calc R U P B 1
H90B H 0.913058 0.980807 0.856030 0.060 Uiso 0.56(2) 1 calc R U P B 1
H90C H 0.916454 0.968708 0.775361 0.060 Uiso 0.56(2) 1 calc R U P B 1
C90A C 0.901(3) 0.9544(10) 0.8219(18) 0.051(7) Uani 0.44(2) 1 d D U P B 2
H90D H 0.970673 0.958527 0.796993 0.077 Uiso 0.44(2) 1 calc R U P B 2
H90E H 0.893272 0.981339 0.863644 0.077 Uiso 0.44(2) 1 calc R U P B 2
H90F H 0.835664 0.981961 0.790674 0.077 Uiso 0.44(2) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N1 2.031(4) . ?
Pt1 N3 2.034(4) . ?
Pt1 N4 2.064(5) . ?
Pt1 C20 1.947(5) . ?
N1 C1 1.345(7) . ?
N1 C5 1.363(7) . ?
N2 C5 1.380(7) . ?
N2 C6 1.443(7) . ?
N2 C15 1.444(7) . ?
N3 C21 1.373(7) . ?
N3 C25 1.371(7) . ?
N4 C31 1.400(7) . ?
N4 C32 1.393(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.370(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.375(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(8) . ?
C4 C5 1.409(8) . ?
C4 C8 1.525(8) . ?
C6 C7 1.403(8) . ?
C6 C14 1.404(8) . ?
C7 C8 1.511(8) . ?
C7 C11 1.409(8) . ?
C8 C9 1.554(8) . ?
C8 C10 1.534(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C12 1.380(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.368(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.364(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.400(8) . ?
C15 C20 1.407(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.366(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(8) . ?
C19 C20 1.414(8) . ?
C19 C21 1.454(8) . ?
C21 C22 1.399(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.367(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.367(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(8) . ?
C25 C26 1.479(8) . ?
C26 C27 1.421(8) . ?
C26 C31 1.413(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(8) . ?
C28 C29 1.394(8) . ?
C28 C38 1.530(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.369(8) . ?
C30 C31 1.404(8) . ?
C30 C33 1.459(8) . ?
C32 C33 1.414(8) . ?
C32 C37 1.400(8) . ?
C33 C34 1.392(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(8) . ?
C35 C36 1.405(9) . ?
C35 C42 1.539(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(8) . ?
C37 H37 0.9500 . ?
C38 C39 1.526(11) . ?
C38 C40 1.544(10) . ?
C38 C41 1.523(9) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.519(12) . ?
C42 C43A 1.54(2) . ?
C42 C44 1.583(13) . ?
C42 C44A 1.524(19) . ?
C42 C45 1.469(11) . ?
C42 C45A 1.469(19) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43A H43D 0.9800 . ?
C43A H43E 0.9800 . ?
C43A H43F 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C44A H44D 0.9800 . ?
C44A H44E 0.9800 . ?
C44A H44F 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45A H45D 0.9800 . ?
C45A H45E 0.9800 . ?
C45A H45F 0.9800 . ?
Pt2 N5 2.031(4) . ?
Pt2 N7 2.027(4) . ?
Pt2 N8 2.062(4) . ?
Pt2 C65 1.949(5) . ?
N5 C46 1.368(7) . ?
N5 C50 1.355(7) . ?
N6 C50 1.396(7) . ?
N6 C51 1.432(7) . ?
N6 C60 1.432(7) . ?
N7 C66 1.378(7) . ?
N7 C70 1.368(7) . ?
N8 C76 1.367(7) . ?
N8 C77 1.408(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.355(8) . ?
C47 H47 0.9500 . ?
C47 C48 1.397(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.366(8) . ?
C49 C50 1.423(8) . ?
C49 C53 1.524(8) . ?
C51 C52 1.396(8) . ?
C51 C59 1.401(9) . ?
C52 C53 1.514(8) . ?
C52 C56 1.406(8) . ?
C53 C54 1.538(9) . ?
C53 C55 1.533(8) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56 0.9500 . ?
C56 C57 1.368(9) . ?
C57 H57 0.9500 . ?
C57 C58 1.389(9) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(8) . ?
C59 H59 0.9500 . ?
C60 C61 1.395(8) . ?
C60 C65 1.398(8) . ?
C61 H61 0.9500 . ?
C61 C62 1.397(8) . ?
C62 H62 0.9500 . ?
C62 C63 1.397(8) . ?
C63 H63 0.9500 . ?
C63 C64 1.389(8) . ?
C64 C65 1.417(8) . ?
C64 C66 1.468(8) . ?
C66 C67 1.367(8) . ?
C67 H67 0.9500 . ?
C67 C68 1.373(8) . ?
C68 H68 0.9500 . ?
C68 C69 1.395(9) . ?
C69 H69 0.9500 . ?
C69 C70 1.402(8) . ?
C70 C71 1.457(8) . ?
C71 C72 1.414(8) . ?
C71 C76 1.412(8) . ?
C72 H72 0.9500 . ?
C72 C73 1.404(9) . ?
C73 C74 1.404(8) . ?
C73 C83 1.542(8) . ?
C74 H74 0.9500 . ?
C74 C75 1.385(8) . ?
C75 C76 1.432(8) . ?
C75 C78 1.442(8) . ?
C77 C78 1.411(8) . ?
C77 C82 1.388(8) . ?
C78 C79 1.385(8) . ?
C79 H79 0.9500 . ?
C79 C80 1.406(8) . ?
C80 C81 1.417(8) . ?
C80 C87 1.534(8) . ?
C81 H81 0.9500 . ?
C81 C82 1.386(8) . ?
C82 H82 0.9500 . ?
C83 C84 1.517(9) . ?
C83 C85 1.549(10) . ?
C83 C86 1.540(9) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.519(14) . ?
C87 C88A 1.585(14) . ?
C87 C89 1.569(15) . ?
C87 C89A 1.556(18) . ?
C87 C90 1.491(14) . ?
C87 C90A 1.480(16) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C88A H88D 0.9800 . ?
C88A H88E 0.9800 . ?
C88A H88F 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C89A H89D 0.9800 . ?
C89A H89E 0.9800 . ?
C89A H89F 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C90A H90D 0.9800 . ?
C90A H90E 0.9800 . ?
C90A H90F 0.9800 . ?

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
N1 Pt1 N3 165.04(18) . . ?
N1 Pt1 N4 97.46(17) . . ?
N3 Pt1 N4 92.35(18) . . ?
C20 Pt1 N1 90.2(2) . . ?
C20 Pt1 N3 82.1(2) . . ?
C20 Pt1 N4 168.0(2) . . ?
C1 N1 Pt1 116.3(4) . . ?
C1 N1 C5 117.2(5) . . ?
C5 N1 Pt1 125.7(4) . . ?
C5 N2 C6 116.3(4) . . ?
C5 N2 C15 124.1(5) . . ?
C6 N2 C15 119.3(5) . . ?
C21 N3 Pt1 112.8(4) . . ?
C25 N3 Pt1 127.6(4) . . ?
C25 N3 C21 119.5(4) . . ?
C31 N4 Pt1 121.0(4) . . ?
C32 N4 Pt1 134.1(4) . . ?
C32 N4 C31 104.8(5) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.8(5) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.1(5) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.5(5) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 118.3(5) . . ?
C3 C4 C8 123.8(5) . . ?
C5 C4 C8 117.8(5) . . ?
N1 C5 N2 119.9(5) . . ?
N1 C5 C4 122.0(5) . . ?
N2 C5 C4 118.1(5) . . ?
C7 C6 N2 117.8(5) . . ?
C7 C6 C14 121.1(6) . . ?
C14 C6 N2 121.0(5) . . ?
C6 C7 C8 117.4(5) . . ?
C6 C7 C11 117.5(6) . . ?
C11 C7 C8 125.1(5) . . ?
C4 C8 C9 108.0(5) . . ?
C4 C8 C10 111.8(5) . . ?
C7 C8 C4 107.7(5) . . ?
C7 C8 C9 108.2(5) . . ?
C7 C8 C10 112.6(5) . . ?
C10 C8 C9 108.3(5) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11 119.6 . . ?
C12 C11 C7 120.8(6) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.9(6) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.0 . . ?
C14 C13 C12 121.9(6) . . ?
C14 C13 H13 119.0 . . ?
C6 C14 H14 120.6 . . ?
C13 C14 C6 118.7(6) . . ?
C13 C14 H14 120.6 . . ?
C16 C15 N2 120.3(5) . . ?
C16 C15 C20 120.5(5) . . ?
C20 C15 N2 119.2(5) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.3(5) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(6) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.9(5) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 120.9(5) . . ?
C18 C19 C21 125.8(5) . . ?
C20 C19 C21 113.1(5) . . ?
C15 C20 Pt1 126.0(4) . . ?
C15 C20 C19 117.1(5) . . ?
C19 C20 Pt1 115.7(4) . . ?
N3 C21 C19 116.2(5) . . ?
N3 C21 C22 121.3(5) . . ?
C22 C21 C19 122.5(5) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 C21 118.7(6) . . ?
C23 C22 H22 120.7 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.9(5) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.2 . . ?
C23 C24 C25 121.5(6) . . ?
C25 C24 H24 119.2 . . ?
N3 C25 C24 118.8(5) . . ?
N3 C25 C26 121.4(5) . . ?
C24 C25 C26 119.6(5) . . ?
C27 C26 C25 119.5(5) . . ?
C31 C26 C25 125.6(5) . . ?
C31 C26 C27 114.7(5) . . ?
C26 C27 H27 117.4 . . ?
C28 C27 C26 125.2(5) . . ?
C28 C27 H27 117.4 . . ?
C27 C28 C29 116.7(5) . . ?
C27 C28 C38 122.4(5) . . ?
C29 C28 C38 120.9(5) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 C28 121.4(6) . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C31 120.7(6) . . ?
C29 C30 C33 133.1(6) . . ?
C31 C30 C33 106.1(5) . . ?
N4 C31 C26 127.7(5) . . ?
N4 C31 C30 111.8(5) . . ?
C30 C31 C26 120.2(5) . . ?
N4 C32 C33 112.3(5) . . ?
N4 C32 C37 128.7(6) . . ?
C37 C32 C33 119.0(5) . . ?
C32 C33 C30 104.9(5) . . ?
C34 C33 C30 134.0(6) . . ?
C34 C33 C32 121.0(5) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(6) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 117.7(6) . . ?
C34 C35 C42 121.4(6) . . ?
C36 C35 C42 120.9(5) . . ?
C35 C36 H36 118.3 . . ?
C37 C36 C35 123.3(5) . . ?
C37 C36 H36 118.3 . . ?
C32 C37 H37 120.9 . . ?
C36 C37 C32 118.2(6) . . ?
C36 C37 H37 120.9 . . ?
C28 C38 C40 108.4(6) . . ?
C39 C38 C28 110.1(6) . . ?
C39 C38 C40 108.3(6) . . ?
C41 C38 C28 113.2(5) . . ?
C41 C38 C39 109.0(7) . . ?
C41 C38 C40 107.7(6) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C35 C42 C43A 103.6(14) . . ?
C35 C42 C44 110.2(6) . . ?
C43 C42 C35 109.9(6) . . ?
C43 C42 C44 107.1(7) . . ?
C44A C42 C35 109.6(12) . . ?
C44A C42 C43A 109(2) . . ?
C45 C42 C35 114.8(6) . . ?
C45 C42 C43 109.3(8) . . ?
C45 C42 C44 105.3(9) . . ?
C45A C42 C35 104.9(12) . . ?
C45A C42 C43A 115(2) . . ?
C45A C42 C44A 114(2) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C43A H43D 109.5 . . ?
C42 C43A H43E 109.5 . . ?
C42 C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C44A H44D 109.5 . . ?
C42 C44A H44E 109.5 . . ?
C42 C44A H44F 109.5 . . ?
H44D C44A H44E 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C45A H45D 109.5 . . ?
C42 C45A H45E 109.5 . . ?
C42 C45A H45F 109.5 . . ?
H45D C45A H45E 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
N5 Pt2 N8 97.78(17) . . ?
N7 Pt2 N5 164.10(19) . . ?
N7 Pt2 N8 91.88(18) . . ?
C65 Pt2 N5 89.8(2) . . ?
C65 Pt2 N7 82.8(2) . . ?
C65 Pt2 N8 168.2(2) . . ?
C46 N5 Pt2 115.7(4) . . ?
C50 N5 Pt2 125.9(4) . . ?
C50 N5 C46 117.3(5) . . ?
C50 N6 C51 115.5(5) . . ?
C50 N6 C60 123.4(5) . . ?
C51 N6 C60 120.9(5) . . ?
C66 N7 Pt2 113.1(4) . . ?
C70 N7 Pt2 127.1(4) . . ?
C70 N7 C66 119.7(5) . . ?
C76 N8 Pt2 121.2(4) . . ?
C76 N8 C77 105.7(4) . . ?
C77 N8 Pt2 133.0(4) . . ?
N5 C46 H46 118.4 . . ?
C47 C46 N5 123.1(5) . . ?
C47 C46 H46 118.4 . . ?
C46 C47 H47 120.3 . . ?
C46 C47 C48 119.5(6) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 H48 120.2 . . ?
C49 C48 C47 119.6(6) . . ?
C49 C48 H48 120.2 . . ?
C48 C49 C50 118.3(5) . . ?
C48 C49 C53 124.1(5) . . ?
C50 C49 C53 117.5(5) . . ?
N5 C50 N6 120.3(5) . . ?
N5 C50 C49 122.1(5) . . ?
N6 C50 C49 117.6(5) . . ?
C52 C51 N6 117.9(5) . . ?
C52 C51 C59 121.2(5) . . ?
C59 C51 N6 120.8(5) . . ?
C51 C52 C53 117.6(5) . . ?
C51 C52 C56 117.6(6) . . ?
C56 C52 C53 124.7(5) . . ?
C49 C53 C54 109.1(5) . . ?
C49 C53 C55 110.8(5) . . ?
C52 C53 C49 105.8(5) . . ?
C52 C53 C54 109.3(5) . . ?
C52 C53 C55 113.4(5) . . ?
C55 C53 C54 108.3(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C52 C56 H56 119.2 . . ?
C57 C56 C52 121.7(6) . . ?
C57 C56 H56 119.2 . . ?
C56 C57 H57 120.0 . . ?
C56 C57 C58 119.9(6) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 119.8 . . ?
C57 C58 C59 120.5(6) . . ?
C59 C58 H58 119.8 . . ?
C51 C59 H59 120.5 . . ?
C58 C59 C51 119.0(6) . . ?
C58 C59 H59 120.5 . . ?
C61 C60 N6 119.1(5) . . ?
C61 C60 C65 120.8(5) . . ?
C65 C60 N6 120.0(5) . . ?
C60 C61 H61 119.9 . . ?
C60 C61 C62 120.2(6) . . ?
C62 C61 H61 119.9 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 120.0(6) . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.3 . . ?
C64 C63 C62 119.4(5) . . ?
C64 C63 H63 120.3 . . ?
C63 C64 C65 121.4(5) . . ?
C63 C64 C66 124.8(5) . . ?
C65 C64 C66 113.7(5) . . ?
C60 C65 Pt2 126.4(4) . . ?
C60 C65 C64 117.8(5) . . ?
C64 C65 Pt2 115.0(4) . . ?
N7 C66 C64 115.4(5) . . ?
C67 C66 N7 121.7(5) . . ?
C67 C66 C64 122.9(5) . . ?
C66 C67 H67 119.8 . . ?
C66 C67 C68 120.3(6) . . ?
C68 C67 H67 119.8 . . ?
C67 C68 H68 121.0 . . ?
C67 C68 C69 118.1(6) . . ?
C69 C68 H68 121.0 . . ?
C68 C69 H69 119.2 . . ?
C68 C69 C70 121.6(6) . . ?
C70 C69 H69 119.2 . . ?
N7 C70 C69 118.3(5) . . ?
N7 C70 C71 122.0(5) . . ?
C69 C70 C71 119.6(5) . . ?
C72 C71 C70 119.3(5) . . ?
C76 C71 C70 125.1(5) . . ?
C76 C71 C72 115.5(5) . . ?
C71 C72 H72 117.5 . . ?
C73 C72 C71 125.0(5) . . ?
C73 C72 H72 117.5 . . ?
C72 C73 C74 117.4(5) . . ?
C72 C73 C83 122.0(5) . . ?
C74 C73 C83 120.6(5) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.1(5) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 C76 121.2(5) . . ?
C74 C75 C78 133.6(5) . . ?
C76 C75 C78 105.1(5) . . ?
N8 C76 C71 128.1(5) . . ?
N8 C76 C75 111.8(5) . . ?
C71 C76 C75 119.9(5) . . ?
N8 C77 C78 110.8(5) . . ?
C82 C77 N8 128.8(5) . . ?
C82 C77 C78 120.4(5) . . ?
C77 C78 C75 106.3(5) . . ?
C79 C78 C75 133.5(5) . . ?
C79 C78 C77 120.2(5) . . ?
C78 C79 H79 119.3 . . ?
C78 C79 C80 121.3(5) . . ?
C80 C79 H79 119.3 . . ?
C79 C80 C81 116.4(5) . . ?
C79 C80 C87 122.2(6) . . ?
C81 C80 C87 121.4(5) . . ?
C80 C81 H81 118.2 . . ?
C82 C81 C80 123.6(5) . . ?
C82 C81 H81 118.2 . . ?
C77 C82 H82 120.9 . . ?
C81 C82 C77 118.2(5) . . ?
C81 C82 H82 120.9 . . ?
C73 C83 C85 109.0(5) . . ?
C84 C83 C73 113.7(5) . . ?
C84 C83 C85 107.9(6) . . ?
C84 C83 C86 107.7(6) . . ?
C86 C83 C73 109.2(5) . . ?
C86 C83 C85 109.4(6) . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C83 C85 H85A 109.5 . . ?
C83 C85 H85B 109.5 . . ?
C83 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C83 C86 H86A 109.5 . . ?
C83 C86 H86B 109.5 . . ?
C83 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C80 C87 C88A 109.7(8) . . ?
C80 C87 C89 104.7(7) . . ?
C80 C87 C89A 110.6(10) . . ?
C88 C87 C80 114.7(9) . . ?
C88 C87 C89 108.3(11) . . ?
C89A C87 C88A 102.4(12) . . ?
C90 C87 C80 109.8(11) . . ?
C90 C87 C88 113.0(14) . . ?
C90 C87 C89 105.7(10) . . ?
C90A C87 C80 116.5(14) . . ?
C90A C87 C88A 104.3(14) . . ?
C90A C87 C89A 112.3(16) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C88A H88D 109.5 . . ?
C87 C88A H88E 109.5 . . ?
C87 C88A H88F 109.5 . . ?
H88D C88A H88E 109.5 . . ?
H88D C88A H88F 109.5 . . ?
H88E C88A H88F 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C87 C89A H89D 109.5 . . ?
C87 C89A H89E 109.5 . . ?
C87 C89A H89F 109.5 . . ?
H89D C89A H89E 109.5 . . ?
H89D C89A H89F 109.5 . . ?
H89E C89A H89F 109.5 . . ?
C87 C90 H90A 109.5 . . ?
C87 C90 H90B 109.5 . . ?
C87 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C87 C90A H90D 109.5 . . ?
C87 C90A H90E 109.5 . . ?
C87 C90A H90F 109.5 . . ?
H90D C90A H90E 109.5 . . ?
H90D C90A H90F 109.5 . . ?
H90E C90A H90F 109.5 . . ?

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
Pt1 N1 C1 C2 173.2(5) . . . . ?
Pt1 N1 C5 N2 9.6(8) . . . . ?
Pt1 N1 C5 C4 -170.7(4) . . . . ?
Pt1 N3 C21 C19 0.8(6) . . . . ?
Pt1 N3 C21 C22 -178.6(5) . . . . ?
Pt1 N3 C25 C24 177.0(4) . . . . ?
Pt1 N3 C25 C26 0.6(8) . . . . ?
Pt1 N4 C31 C26 -11.3(8) . . . . ?
Pt1 N4 C31 C30 175.7(4) . . . . ?
Pt1 N4 C32 C33 -177.1(4) . . . . ?
Pt1 N4 C32 C37 4.5(9) . . . . ?
N1 C1 C2 C3 -1.8(9) . . . . ?
N2 C6 C7 C8 5.9(8) . . . . ?
N2 C6 C7 C11 -175.4(5) . . . . ?
N2 C6 C14 C13 176.8(6) . . . . ?
N2 C15 C16 C17 -178.2(6) . . . . ?
N2 C15 C20 Pt1 5.7(8) . . . . ?
N2 C15 C20 C19 172.8(5) . . . . ?
N3 C21 C22 C23 0.1(9) . . . . ?
N3 C25 C26 C27 -169.8(5) . . . . ?
N3 C25 C26 C31 15.6(9) . . . . ?
N4 C32 C33 C30 0.7(7) . . . . ?
N4 C32 C33 C34 178.5(5) . . . . ?
N4 C32 C37 C36 -179.0(6) . . . . ?
C1 N1 C5 N2 178.2(5) . . . . ?
C1 N1 C5 C4 -2.1(8) . . . . ?
C1 C2 C3 C4 -1.5(9) . . . . ?
C2 C3 C4 C5 2.7(9) . . . . ?
C2 C3 C4 C8 -174.0(5) . . . . ?
C3 C4 C5 N1 -0.9(9) . . . . ?
C3 C4 C5 N2 178.8(5) . . . . ?
C3 C4 C8 C7 -142.0(6) . . . . ?
C3 C4 C8 C9 101.2(6) . . . . ?
C3 C4 C8 C10 -17.8(8) . . . . ?
C5 N1 C1 C2 3.5(8) . . . . ?
C5 N2 C6 C7 35.2(8) . . . . ?
C5 N2 C6 C14 -142.1(6) . . . . ?
C5 N2 C15 C16 -145.1(6) . . . . ?
C5 N2 C15 C20 34.2(8) . . . . ?
C5 C4 C8 C7 41.2(7) . . . . ?
C5 C4 C8 C9 -75.5(6) . . . . ?
C5 C4 C8 C10 165.5(5) . . . . ?
C6 N2 C5 N1 144.1(5) . . . . ?
C6 N2 C5 C4 -35.6(8) . . . . ?
C6 N2 C15 C16 28.8(8) . . . . ?
C6 N2 C15 C20 -152.0(5) . . . . ?
C6 C7 C8 C4 -41.4(7) . . . . ?
C6 C7 C8 C9 75.2(6) . . . . ?
C6 C7 C8 C10 -165.2(5) . . . . ?
C6 C7 C11 C12 -1.9(9) . . . . ?
C7 C6 C14 C13 -0.3(9) . . . . ?
C7 C11 C12 C13 0.5(10) . . . . ?
C8 C4 C5 N1 176.0(5) . . . . ?
C8 C4 C5 N2 -4.3(8) . . . . ?
C8 C7 C11 C12 176.7(6) . . . . ?
C11 C7 C8 C4 140.1(6) . . . . ?
C11 C7 C8 C9 -103.4(6) . . . . ?
C11 C7 C8 C10 16.3(8) . . . . ?
C11 C12 C13 C14 1.1(11) . . . . ?
C12 C13 C14 C6 -1.2(10) . . . . ?
C14 C6 C7 C8 -176.8(5) . . . . ?
C14 C6 C7 C11 1.8(9) . . . . ?
C15 N2 C5 N1 -41.8(8) . . . . ?
C15 N2 C5 C4 138.4(5) . . . . ?
C15 N2 C6 C7 -139.2(5) . . . . ?
C15 N2 C6 C14 43.6(8) . . . . ?
C15 C16 C17 C18 3.8(10) . . . . ?
C16 C15 C20 Pt1 -175.0(5) . . . . ?
C16 C15 C20 C19 -8.0(8) . . . . ?
C16 C17 C18 C19 -4.4(10) . . . . ?
C17 C18 C19 C20 -1.3(9) . . . . ?
C17 C18 C19 C21 174.6(6) . . . . ?
C18 C19 C20 Pt1 175.7(5) . . . . ?
C18 C19 C20 C15 7.4(9) . . . . ?
C18 C19 C21 N3 -176.3(6) . . . . ?
C18 C19 C21 C22 3.1(10) . . . . ?
C19 C21 C22 C23 -179.3(6) . . . . ?
C20 C15 C16 C17 2.6(9) . . . . ?
C20 C19 C21 N3 -0.1(8) . . . . ?
C20 C19 C21 C22 179.3(6) . . . . ?
C21 N3 C25 C24 -6.1(8) . . . . ?
C21 N3 C25 C26 177.5(5) . . . . ?
C21 C19 C20 Pt1 -0.7(7) . . . . ?
C21 C19 C20 C15 -169.0(5) . . . . ?
C21 C22 C23 C24 -2.1(10) . . . . ?
C22 C23 C24 C25 -0.1(10) . . . . ?
C23 C24 C25 N3 4.2(9) . . . . ?
C23 C24 C25 C26 -179.3(6) . . . . ?
C24 C25 C26 C27 13.8(9) . . . . ?
C24 C25 C26 C31 -160.8(6) . . . . ?
C25 N3 C21 C19 -176.6(5) . . . . ?
C25 N3 C21 C22 4.0(8) . . . . ?
C25 C26 C27 C28 -170.4(6) . . . . ?
C25 C26 C31 N4 -9.5(10) . . . . ?
C25 C26 C31 C30 163.0(6) . . . . ?
C26 C27 C28 C29 2.9(10) . . . . ?
C26 C27 C28 C38 -176.1(6) . . . . ?
C27 C26 C31 N4 175.6(6) . . . . ?
C27 C26 C31 C30 -11.9(8) . . . . ?
C27 C28 C29 C30 -3.7(10) . . . . ?
C27 C28 C38 C39 123.3(7) . . . . ?
C27 C28 C38 C40 -118.4(7) . . . . ?
C27 C28 C38 C41 0.9(10) . . . . ?
C28 C29 C30 C31 -3.3(10) . . . . ?
C28 C29 C30 C33 179.1(6) . . . . ?
C29 C28 C38 C39 -55.7(9) . . . . ?
C29 C28 C38 C40 62.6(8) . . . . ?
C29 C28 C38 C41 -178.0(7) . . . . ?
C29 C30 C31 N4 -174.7(6) . . . . ?
C29 C30 C31 C26 11.6(9) . . . . ?
C29 C30 C33 C32 175.4(7) . . . . ?
C29 C30 C33 C34 -2.0(12) . . . . ?
C30 C33 C34 C35 177.5(6) . . . . ?
C31 N4 C32 C33 1.3(6) . . . . ?
C31 N4 C32 C37 -177.2(6) . . . . ?
C31 C26 C27 C28 4.9(9) . . . . ?
C31 C30 C33 C32 -2.4(6) . . . . ?
C31 C30 C33 C34 -179.8(7) . . . . ?
C32 N4 C31 C26 170.1(6) . . . . ?
C32 N4 C31 C30 -2.9(6) . . . . ?
C32 C33 C34 C35 0.5(9) . . . . ?
C33 C30 C31 N4 3.4(7) . . . . ?
C33 C30 C31 C26 -170.2(5) . . . . ?
C33 C32 C37 C36 2.7(9) . . . . ?
C33 C34 C35 C36 1.9(9) . . . . ?
C33 C34 C35 C42 -178.2(6) . . . . ?
C34 C35 C36 C37 -2.1(10) . . . . ?
C34 C35 C42 C43 118.8(8) . . . . ?
C34 C35 C42 C43A 57.4(18) . . . . ?
C34 C35 C42 C44 -123.5(8) . . . . ?
C34 C35 C42 C44A 174.0(15) . . . . ?
C34 C35 C42 C45 -4.8(11) . . . . ?
C34 C35 C42 C45A -63.6(18) . . . . ?
C35 C36 C37 C32 -0.2(9) . . . . ?
C36 C35 C42 C43 -61.3(9) . . . . ?
C36 C35 C42 C43A -122.7(18) . . . . ?
C36 C35 C42 C44 56.4(9) . . . . ?
C36 C35 C42 C44A -6.2(16) . . . . ?
C36 C35 C42 C45 175.0(9) . . . . ?
C36 C35 C42 C45A 116.2(17) . . . . ?
C37 C32 C33 C30 179.3(5) . . . . ?
C37 C32 C33 C34 -2.9(9) . . . . ?
C38 C28 C29 C30 175.3(6) . . . . ?
C42 C35 C36 C37 178.1(6) . . . . ?
Pt2 N5 C46 C47 172.5(5) . . . . ?
Pt2 N5 C50 N6 10.0(7) . . . . ?
Pt2 N5 C50 C49 -169.7(4) . . . . ?
Pt2 N7 C66 C64 0.5(6) . . . . ?
Pt2 N7 C66 C67 -179.6(4) . . . . ?
Pt2 N7 C70 C69 177.7(4) . . . . ?
Pt2 N7 C70 C71 0.8(8) . . . . ?
Pt2 N8 C76 C71 -12.6(8) . . . . ?
Pt2 N8 C76 C75 172.0(4) . . . . ?
Pt2 N8 C77 C78 -172.0(4) . . . . ?
Pt2 N8 C77 C82 6.7(9) . . . . ?
N5 C46 C47 C48 -2.2(10) . . . . ?
N6 C51 C52 C53 9.2(8) . . . . ?
N6 C51 C52 C56 -173.2(5) . . . . ?
N6 C51 C59 C58 174.6(5) . . . . ?
N6 C60 C61 C62 -177.4(5) . . . . ?
N6 C60 C65 Pt2 5.7(8) . . . . ?
N6 C60 C65 C64 174.5(5) . . . . ?
N7 C66 C67 C68 0.3(9) . . . . ?
N7 C70 C71 C72 -167.5(5) . . . . ?
N7 C70 C71 C76 15.2(9) . . . . ?
N8 C77 C78 C75 -2.4(6) . . . . ?
N8 C77 C78 C79 179.5(5) . . . . ?
N8 C77 C82 C81 -179.3(6) . . . . ?
C46 N5 C50 N6 178.0(5) . . . . ?
C46 N5 C50 C49 -1.7(8) . . . . ?
C46 C47 C48 C49 -0.5(10) . . . . ?
C47 C48 C49 C50 1.9(9) . . . . ?
C47 C48 C49 C53 -173.6(6) . . . . ?
C48 C49 C50 N5 -0.7(9) . . . . ?
C48 C49 C50 N6 179.5(5) . . . . ?
C48 C49 C53 C52 -140.9(6) . . . . ?
C48 C49 C53 C54 101.6(7) . . . . ?
C48 C49 C53 C55 -17.6(9) . . . . ?
C50 N5 C46 C47 3.3(8) . . . . ?
C50 N6 C51 C52 34.8(7) . . . . ?
C50 N6 C51 C59 -141.2(6) . . . . ?
C50 N6 C60 C61 -145.7(6) . . . . ?
C50 N6 C60 C65 32.6(8) . . . . ?
C50 C49 C53 C52 43.6(7) . . . . ?
C50 C49 C53 C54 -73.9(7) . . . . ?
C50 C49 C53 C55 166.9(5) . . . . ?
C51 N6 C50 N5 143.5(5) . . . . ?
C51 N6 C50 C49 -36.7(7) . . . . ?
C51 N6 C60 C61 30.0(8) . . . . ?
C51 N6 C60 C65 -151.7(5) . . . . ?
C51 C52 C53 C49 -45.8(7) . . . . ?
C51 C52 C53 C54 71.6(7) . . . . ?
C51 C52 C53 C55 -167.4(5) . . . . ?
C51 C52 C56 C57 -2.0(9) . . . . ?
C52 C51 C59 C58 -1.3(9) . . . . ?
C52 C56 C57 C58 -0.3(9) . . . . ?
C53 C49 C50 N5 175.0(5) . . . . ?
C53 C49 C50 N6 -4.7(8) . . . . ?
C53 C52 C56 C57 175.3(6) . . . . ?
C56 C52 C53 C49 136.8(6) . . . . ?
C56 C52 C53 C54 -105.8(6) . . . . ?
C56 C52 C53 C55 15.2(9) . . . . ?
C56 C57 C58 C59 1.9(9) . . . . ?
C57 C58 C59 C51 -1.1(9) . . . . ?
C59 C51 C52 C53 -174.8(5) . . . . ?
C59 C51 C52 C56 2.8(8) . . . . ?
C60 N6 C50 N5 -40.6(8) . . . . ?
C60 N6 C50 C49 139.2(6) . . . . ?
C60 N6 C51 C52 -141.2(5) . . . . ?
C60 N6 C51 C59 42.7(8) . . . . ?
C60 C61 C62 C63 -0.4(9) . . . . ?
C61 C60 C65 Pt2 -176.0(4) . . . . ?
C61 C60 C65 C64 -7.2(8) . . . . ?
C61 C62 C63 C64 -0.4(9) . . . . ?
C62 C63 C64 C65 -2.7(9) . . . . ?
C62 C63 C64 C66 174.5(6) . . . . ?
C63 C64 C65 Pt2 176.5(5) . . . . ?
C63 C64 C65 C60 6.4(9) . . . . ?
C63 C64 C66 N7 -177.1(5) . . . . ?
C63 C64 C66 C67 3.0(9) . . . . ?
C64 C66 C67 C68 -179.8(6) . . . . ?
C65 C60 C61 C62 4.3(9) . . . . ?
C65 C64 C66 N7 0.2(7) . . . . ?
C65 C64 C66 C67 -179.6(5) . . . . ?
C66 N7 C70 C69 -6.0(8) . . . . ?
C66 N7 C70 C71 177.0(5) . . . . ?
C66 C64 C65 Pt2 -0.9(6) . . . . ?
C66 C64 C65 C60 -171.0(5) . . . . ?
C66 C67 C68 C69 -1.7(9) . . . . ?
C67 C68 C69 C70 -0.8(9) . . . . ?
C68 C69 C70 N7 4.7(9) . . . . ?
C68 C69 C70 C71 -178.3(5) . . . . ?
C69 C70 C71 C72 15.6(8) . . . . ?
C69 C70 C71 C76 -161.7(6) . . . . ?
C70 N7 C66 C64 -176.2(5) . . . . ?
C70 N7 C66 C67 3.7(8) . . . . ?
C70 C71 C72 C73 -173.0(6) . . . . ?
C70 C71 C76 N8 -8.6(9) . . . . ?
C70 C71 C76 C75 166.6(5) . . . . ?
C71 C72 C73 C74 2.4(9) . . . . ?
C71 C72 C73 C83 -178.7(6) . . . . ?
C72 C71 C76 N8 174.1(5) . . . . ?
C72 C71 C76 C75 -10.8(8) . . . . ?
C72 C73 C74 C75 -3.1(8) . . . . ?
C72 C73 C83 C84 1.9(9) . . . . ?
C72 C73 C83 C85 122.3(7) . . . . ?
C72 C73 C83 C86 -118.3(7) . . . . ?
C73 C74 C75 C76 -3.3(9) . . . . ?
C73 C74 C75 C78 -179.7(6) . . . . ?
C74 C73 C83 C84 -179.3(6) . . . . ?
C74 C73 C83 C85 -58.9(8) . . . . ?
C74 C73 C83 C86 60.5(8) . . . . ?
C74 C75 C76 N8 -173.5(5) . . . . ?
C74 C75 C76 C71 10.6(8) . . . . ?
C74 C75 C78 C77 176.0(6) . . . . ?
C74 C75 C78 C79 -6.2(12) . . . . ?
C75 C78 C79 C80 -178.4(6) . . . . ?
C76 N8 C77 C78 4.6(6) . . . . ?
C76 N8 C77 C82 -176.7(6) . . . . ?
C76 C71 C72 C73 4.5(9) . . . . ?
C76 C75 C78 C77 -0.8(6) . . . . ?
C76 C75 C78 C79 177.0(7) . . . . ?
C77 N8 C76 C71 170.3(6) . . . . ?
C77 N8 C76 C75 -5.2(6) . . . . ?
C77 C78 C79 C80 -0.8(9) . . . . ?
C78 C75 C76 N8 3.8(6) . . . . ?
C78 C75 C76 C71 -172.1(5) . . . . ?
C78 C77 C82 C81 -0.7(9) . . . . ?
C78 C79 C80 C81 1.0(9) . . . . ?
C78 C79 C80 C87 -177.8(6) . . . . ?
C79 C80 C81 C82 -1.1(10) . . . . ?
C79 C80 C87 C88 -174.1(13) . . . . ?
C79 C80 C87 C88A -143.6(10) . . . . ?
C79 C80 C87 C89 67.4(10) . . . . ?
C79 C80 C87 C89A 104.2(16) . . . . ?
C79 C80 C87 C90 -45.7(12) . . . . ?
C79 C80 C87 C90A -25.5(16) . . . . ?
C80 C81 C82 C77 1.0(10) . . . . ?
C81 C80 C87 C88 7.2(15) . . . . ?
C81 C80 C87 C88A 37.6(12) . . . . ?
C81 C80 C87 C89 -111.4(9) . . . . ?
C81 C80 C87 C89A -74.5(16) . . . . ?
C81 C80 C87 C90 135.6(11) . . . . ?
C81 C80 C87 C90A 155.8(14) . . . . ?
C82 C77 C78 C75 178.8(5) . . . . ?
C82 C77 C78 C79 0.7(9) . . . . ?
C83 C73 C74 C75 178.1(5) . . . . ?
C87 C80 C81 C82 177.6(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.063 0.100 0.889 7.2 0.3 ?
2 0.000 0.500 0.000 148.0 46.3 ?
3 0.063 0.900 0.111 7.2 0.2 ?
4 0.500 0.000 0.500 218.3 8.6 ?
5 0.500 0.500 0.500 162.6 46.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_olex2_submission_special_instructions 'No special instructions were received'
