# Supplementary Information (SI) for Journal of Materials Chemistry C.
# 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. 
# 
#######################################################################

data_pt_1
_database_code_depnum_ccdc_archive 'CCDC 2452972'
loop_
_audit_author_name
_audit_author_address
'Keyue Xu'
;Hainan Normal University
China
;
_audit_update_record             
;
2025-05-21 deposited with the CCDC.	2025-12-09 downloaded from the CCDC.
;
_audit_creation_date             2025-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H53 N5 Pt, C H2 Cl2'
_chemical_formula_sum            'C61 H55 Cl2 N5 Pt'
_chemical_formula_weight         1124.09
_chemical_melting_point          ?
_chemical_oxdiff_formula         'CH O N Pt Cl S'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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                   9.5741(2)
_cell_length_b                   14.3170(4)
_cell_length_c                   20.4183(3)
_cell_angle_alpha                88.7087(17)
_cell_angle_beta                 81.2010(17)
_cell_angle_gamma                71.071(2)
_cell_volume                     2615.16(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    27622
_cell_measurement_temperature    298.38(10)
_cell_measurement_theta_max      72.7460
_cell_measurement_theta_min      3.8590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.291
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            41712
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.061
_diffrn_reflns_theta_min         3.880
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.38(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     55.00  80.00   0.50    0.05    --   62.17  15.00 150.00   50
  2  ω     55.00  99.00   0.50    0.05    --   62.17  15.00 -30.00   88
  3  ω     63.00  89.00   0.50    0.05    --   62.17  15.00 -60.00   52
  4  ω     63.00 102.00   0.50    0.05    --   62.17  15.00 -90.00   78
  5  ω     65.00 102.00   0.50    0.05    --   62.17  15.00-180.00   74
  6  ω     84.00 111.00   0.50    0.05    --   71.19  15.00 -30.00   54
  7  ω     66.00  97.00   0.50    0.05    --   62.17  15.00  30.00   62
  8  ω     61.00  92.00   0.50    0.05    --   62.17  15.00  60.00   62
  9  ω     61.00 101.00   0.50    0.05    --   62.17  15.00  90.00   80
 10  ω     68.00 103.00   0.50    0.05    --   74.40  15.00 120.00   70
 11  ω     85.00 112.00   0.50    0.05    --   71.19  15.00  30.00   54
 12  ω     72.00 113.00   0.50    0.05    --   74.40  15.00 150.00   82
 13  ω     79.00 114.00   0.50    0.05    --   74.40  15.00   0.00   70
 14  ω     76.00 115.00   0.50    0.05    --   74.40  15.00 -90.00   78
 15  ω     64.00  89.00   0.50    0.05    --   71.19  15.00-120.00   50
 16  ω     71.00  97.00   0.50    0.05    --   74.40  15.00-150.00   52
 17  ω     83.00 109.00   0.50    0.05    --   71.19  15.00-180.00   52
 18  ω     72.00 103.00   0.50    0.05    --   74.40  15.00-120.00   62
 19  ω     84.00 115.00   0.50    0.05    --   74.40  15.00 -60.00   62
 20  ω     81.00 109.00   0.50    0.05    --   74.40  15.00  60.00   56
 21  ω     77.00 102.00   0.50    0.05    --   74.40  15.00  90.00   50
 22  ω     65.00  90.00   0.50    0.05    --   74.40-125.00   0.00   50
 23  ω     25.00  77.00   0.50    0.05    --   62.17-125.00 120.00  104
 24  ω     28.00  78.00   0.50    0.05    --   62.17-125.00  30.00  100
 25  ω     25.00  77.00   0.50    0.05    --   62.17-125.00   0.00  104
 26  ω     26.00  78.00   0.50    0.05    --   62.17-125.00 -30.00  104
 27  ω     37.00  62.00   0.50    0.05    --   62.17-125.00  60.00   50
 28  ω     26.00  61.00   0.50    0.05    --   62.17-125.00  90.00   70
 29  ω     28.00  78.00   0.50    0.05    --   62.17-125.00 150.00  100
 30  ω     43.00  77.00   0.50    0.05    --   62.17-125.00 -60.00   68
 31  ω     25.00  78.00   0.50    0.05    --   62.17-125.00-120.00  106
 32  ω     27.00  72.00   0.50    0.05    --   62.17-125.00-150.00   90
 33  ω     25.00  51.00   0.50    0.05    --   62.17-125.00-180.00   52
 34  ω     60.00  86.00   0.50    0.05    --   71.19-125.00 -60.00   52
 35  ω     34.00  59.00   0.50    0.05    --   71.19-125.00-120.00   50
 36  ω     57.00  87.00   0.50    0.05    --   71.19-125.00-180.00   60
 37  ω     55.00  83.00   0.50    0.05    --   71.19-125.00-150.00   56
 38  ω     61.00  87.00   0.50    0.05    --   71.19-125.00  30.00   52
 39  ω     64.00  89.00   0.50    0.05    --   74.40-125.00 120.00   50
 40  ω     34.00  87.00   0.50    0.05    --   71.19-125.00 120.00  106
 41  ω     44.00  90.00   0.50    0.05    --   74.40-125.00 150.00   92
 42  ω     56.00  90.00   0.50    0.05    --   74.40-125.00  90.00   68
 43  ω     34.00  59.00   0.50    0.05    --   71.19-125.00  60.00   50
 44  ω     60.00  90.00   0.50    0.05    --   74.40-125.00  60.00   60
 45  ω     42.00  86.00   0.50    0.05    --   71.19-125.00   0.00   88
 46  ω     46.00  89.00   0.50    0.05    --   74.40-125.00 -60.00   86
 47  ω     42.00  90.00   0.50    0.05    --   74.40-125.00 -90.00   96
 48  ω     65.00  90.00   0.50    0.05    --   74.40-125.00-150.00   50
 49  ω     45.00  90.00   0.50    0.05    --   74.40-125.00-180.00   90
 50  ω     57.00  90.00   0.50    0.05    --   74.40-125.00-120.00   66
 51  ω     42.00  90.00   0.50    0.05    --   74.40-125.00 -30.00   96
 52  ω     48.00  90.00   0.50    0.05    --   74.40-125.00  30.00   84
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0163886000
_diffrn_orient_matrix_UB_12      -0.1001580000
_diffrn_orient_matrix_UB_13      -0.0161871000
_diffrn_orient_matrix_UB_21      -0.0607837000
_diffrn_orient_matrix_UB_22      -0.0088154000
_diffrn_orient_matrix_UB_23      0.0734055000
_diffrn_orient_matrix_UB_31      -0.1602414000
_diffrn_orient_matrix_UB_32      0.0533099000
_diffrn_orient_matrix_UB_33      -0.0135493000
_diffrn_oxdiff_digest_frames     
;
01219da506acc09f9ec9fcc6fbbb7fb9150368871a6
;
_diffrn_oxdiff_digest_hkl        
;
01d6c1d28523b41dd11950a6d6e330fdbe5a7d
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8935
_reflns_number_total             9868
_reflns_odcompleteness_completeness 97.13
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.143a 64-bit (release 25-10-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_refine_diff_density_max         0.666
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         9868
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0253
_refine_ls_restrained_S_all      1.014
_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)+(0.0286P)²+1.5084P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0629
_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. Others
 Sof(C30)=Sof(H30a)=Sof(H30b)=Sof(H30c)=Sof(C31)=Sof(H31a)=Sof(H31b)=Sof(H31c)=
 Sof(C32)=Sof(H32a)=Sof(H32b)=Sof(H32c)=1-FVAR(1)
 Sof(C27)=Sof(H27a)=Sof(H27b)=Sof(H27c)=Sof(C28)=Sof(H28a)=Sof(H28b)=Sof(H28c)=
 Sof(C29)=Sof(H29a)=Sof(H29b)=Sof(H29c)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C17(H17), C19(H19), C21(H21),
 C34(H34), C35(H35), C37(H37), C41(H41), C42(H42), C43(H43), C44(H44), C47(H47),
  C48(H48), C49(H49), C50(H50), C51(H51), C53(H53), C54(H54), C55(H55),
 C56(H56), C57(H57), C60(H60), C61(H61), C62(H62), C63(H63), C65(H65), C66(H66),
  C67(H67), C68(H68), C69(H69)
3.b Idealised Me refined as rotating group:
 C23(H23a,H23b,H23c), C24(H24a,H24b,H24c), C25(H25a,H25b,H25c), C27(H27a,H27b,
 H27c), C28(H28a,H28b,H28c), C29(H29a,H29b,H29c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Pt12 Pt 0.31078(2) 0.13237(2) 0.55706(2) 0.04435(5) Uani 1 1 d . . . . .
N1 N -0.0261(3) -0.0263(2) 0.79410(12) 0.0559(6) Uani 1 1 d . . . . .
N2 N 0.2519(3) 0.01975(18) 0.51299(12) 0.0497(5) Uani 1 1 d . . . . .
N3 N 0.4307(3) 0.18927(19) 0.47772(12) 0.0537(6) Uani 1 1 d . . . . .
N4 N 0.4844(3) 0.4508(2) 0.69478(15) 0.0638(7) Uani 1 1 d . . . . .
N5 N 0.2344(3) 0.20444(18) 0.71930(11) 0.0488(5) Uani 1 1 d . . . . .
C1 C 0.0416(3) -0.0646(2) 0.84987(15) 0.0557(7) Uani 1 1 d . . . . .
C2 C 0.1949(4) -0.0967(3) 0.8460(2) 0.0811(11) Uani 1 1 d . . . . .
H2 H 0.254686 -0.093325 0.806176 0.097 Uiso 1 1 calc R U . . .
C3 C 0.2602(5) -0.1341(4) 0.9012(3) 0.1052(17) Uani 1 1 d . . . . .
H3 H 0.363762 -0.155233 0.898080 0.126 Uiso 1 1 calc R U . . .
C4 C 0.1747(6) -0.1403(4) 0.9602(3) 0.1071(18) Uani 1 1 d . . . . .
H4 H 0.219398 -0.165987 0.996915 0.129 Uiso 1 1 calc R U . . .
C5 C 0.0243(6) -0.1085(4) 0.9644(2) 0.0908(13) Uani 1 1 d . . . . .
H5 H -0.034476 -0.112579 1.004335 0.109 Uiso 1 1 calc R U . . .
C6 C -0.0436(4) -0.0699(3) 0.91013(16) 0.0682(9) Uani 1 1 d . . . . .
H6 H -0.147308 -0.047411 0.914202 0.082 Uiso 1 1 calc R U . . .
C8 C 0.0541(3) 0.0117(2) 0.74109(14) 0.0514(7) Uani 1 1 d . . . . .
C9 C 0.0775(3) -0.0276(2) 0.67747(15) 0.0549(7) Uani 1 1 d . . . . .
H9 H 0.043930 -0.079529 0.669003 0.066 Uiso 1 1 calc R U . . .
C10 C 0.1522(3) 0.0123(2) 0.62655(14) 0.0481(6) Uani 1 1 d . . . . .
C11 C 0.2084(3) 0.0893(2) 0.63666(14) 0.0449(6) Uani 1 1 d . . . . .
C13 C 0.3504(3) 0.2340(2) 0.60689(14) 0.0453(6) Uani 1 1 d . . . . .
C14 C 0.3138(3) 0.2547(2) 0.67590(14) 0.0463(6) Uani 1 1 d . . . . .
C16 C 0.1966(3) 0.2384(2) 0.78827(14) 0.0486(6) Uani 1 1 d . . . . .
C17 C 0.2990(3) 0.2008(2) 0.83122(15) 0.0532(7) Uani 1 1 d . . . . .
H17 H 0.390133 0.153058 0.815975 0.064 Uiso 1 1 calc R U . . .
C18 C 0.2661(4) 0.2340(2) 0.89690(15) 0.0544(7) Uani 1 1 d . . . . .
C19 C 0.1267(3) 0.3021(2) 0.91826(15) 0.0562(7) Uani 1 1 d . . . . .
H19 H 0.102855 0.324018 0.962365 0.067 Uiso 1 1 calc R U . . .
C20 C 0.0208(3) 0.3392(2) 0.87618(15) 0.0528(7) Uani 1 1 d . . . . .
C21 C 0.0600(3) 0.3072(2) 0.81007(14) 0.0505(7) Uani 1 1 d . . . . .
H21 H -0.006678 0.332698 0.780411 0.061 Uiso 1 1 calc R U . . .
C22 C -0.1334(4) 0.4132(3) 0.90002(17) 0.0693(9) Uani 1 1 d . . . . .
C23 C -0.2518(5) 0.3721(4) 0.8801(3) 0.1166(18) Uani 1 1 d . . . . .
H23A H -0.237486 0.307388 0.897581 0.175 Uiso 1 1 calc R U . . .
H23B H -0.241708 0.368243 0.832693 0.175 Uiso 1 1 calc R U . . .
H23C H -0.349815 0.415102 0.897806 0.175 Uiso 1 1 calc R U . . .
C24 C -0.1482(6) 0.5106(3) 0.8675(3) 0.126(2) Uani 1 1 d . . . . .
H24A H -0.132982 0.501188 0.820218 0.188 Uiso 1 1 calc R U . . .
H24B H -0.074749 0.536629 0.879620 0.188 Uiso 1 1 calc R U . . .
H24C H -0.246335 0.556222 0.881923 0.188 Uiso 1 1 calc R U . . .
C25 C -0.1669(5) 0.4280(4) 0.9751(2) 0.121(2) Uani 1 1 d . . . . .
H25A H -0.265843 0.473778 0.987512 0.182 Uiso 1 1 calc R U . . .
H25B H -0.095699 0.453713 0.989824 0.182 Uiso 1 1 calc R U . . .
H25C H -0.160468 0.365858 0.995348 0.182 Uiso 1 1 calc R U . . .
C26 C 0.3824(4) 0.1994(3) 0.94385(18) 0.0718(10) Uani 1 1 d . . . . .
C27 C 0.5360(12) 0.1296(11) 0.9130(5) 0.084(5) Uani 0.433(15) 1 d . . P A 1
H27A H 0.599933 0.111580 0.946362 0.126 Uiso 0.433(15) 1 calc R U P A 1
H27B H 0.579370 0.162265 0.878031 0.126 Uiso 0.433(15) 1 calc R U P A 1
H27C H 0.524922 0.071271 0.895369 0.126 Uiso 0.433(15) 1 calc R U P A 1
C28 C 0.3255(15) 0.1507(15) 1.0038(7) 0.104(6) Uani 0.433(15) 1 d . . P A 1
H28A H 0.311809 0.090991 0.990111 0.156 Uiso 0.433(15) 1 calc R U P A 1
H28B H 0.231746 0.194876 1.025365 0.156 Uiso 0.433(15) 1 calc R U P A 1
H28C H 0.396659 0.135411 1.034155 0.156 Uiso 0.433(15) 1 calc R U P A 1
C29 C 0.4163(14) 0.2936(9) 0.9700(9) 0.101(5) Uani 0.433(15) 1 d . . P A 1
H29A H 0.493946 0.272102 0.997053 0.151 Uiso 0.433(15) 1 calc R U P A 1
H29B H 0.327341 0.336942 0.995784 0.151 Uiso 0.433(15) 1 calc R U P A 1
H29C H 0.447837 0.328187 0.932853 0.151 Uiso 0.433(15) 1 calc R U P A 1
C30 C 0.3158(13) 0.2249(12) 1.0152(5) 0.111(4) Uani 0.567(15) 1 d . . P A 2
H30A H 0.228329 0.205158 1.025379 0.167 Uiso 0.567(15) 1 calc R U P A 2
H30B H 0.288881 0.294831 1.022781 0.167 Uiso 0.567(15) 1 calc R U P A 2
H30C H 0.387565 0.190871 1.042996 0.167 Uiso 0.567(15) 1 calc R U P A 2
C31 C 0.4415(18) 0.0852(9) 0.9379(6) 0.138(6) Uani 0.567(15) 1 d . . P A 2
H31A H 0.485970 0.064976 0.892876 0.207 Uiso 0.567(15) 1 calc R U P A 2
H31B H 0.360153 0.059925 0.950449 0.207 Uiso 0.567(15) 1 calc R U P A 2
H31C H 0.515047 0.059964 0.966578 0.207 Uiso 0.567(15) 1 calc R U P A 2
C32 C 0.5021(17) 0.2402(17) 0.9180(9) 0.197(13) Uani 0.567(15) 1 d . . P A 2
H32A H 0.582308 0.216884 0.943504 0.296 Uiso 0.567(15) 1 calc R U P A 2
H32B H 0.463366 0.311044 0.921155 0.296 Uiso 0.567(15) 1 calc R U P A 2
H32C H 0.538467 0.219350 0.872434 0.296 Uiso 0.567(15) 1 calc R U P A 2
C33 C 0.1850(3) 0.1270(2) 0.70241(13) 0.0452(6) Uani 1 1 d . . . . .
C34 C 0.1063(3) 0.0879(2) 0.75320(14) 0.0516(7) Uani 1 1 d . . . . .
H34 H 0.088773 0.113964 0.796131 0.062 Uiso 1 1 calc R U . . .
C35 C 0.3590(3) 0.3266(2) 0.70356(15) 0.0532(7) Uani 1 1 d . . . . .
H35 H 0.337753 0.338361 0.749200 0.064 Uiso 1 1 calc R U . . .
C36 C 0.4348(3) 0.3809(2) 0.66452(17) 0.0557(7) Uani 1 1 d . . . . .
C37 C 0.4662(4) 0.3648(2) 0.59679(16) 0.0586(8) Uani 1 1 d . . . . .
H37 H 0.513719 0.402421 0.570093 0.070 Uiso 1 1 calc R U . . .
C38 C 0.4261(3) 0.2916(2) 0.56895(15) 0.0510(7) Uani 1 1 d . . . . .
C39 C 0.4661(3) 0.2674(2) 0.49767(15) 0.0517(7) Uani 1 1 d . . . . .
C41 C 0.4759(4) 0.1582(3) 0.41416(16) 0.0719(10) Uani 1 1 d . . . . .
H41 H 0.456353 0.102632 0.400697 0.086 Uiso 1 1 calc R U . . .
C42 C 0.5496(4) 0.2040(3) 0.36782(18) 0.0786(11) Uani 1 1 d . . . . .
H42 H 0.577884 0.180399 0.324099 0.094 Uiso 1 1 calc R U . . .
C43 C 0.5803(4) 0.2847(3) 0.38719(18) 0.0747(10) Uani 1 1 d . . . . .
H43 H 0.628771 0.317726 0.356788 0.090 Uiso 1 1 calc R U . . .
C44 C 0.5386(4) 0.3165(3) 0.45224(17) 0.0672(9) Uani 1 1 d . . . . .
H44 H 0.558981 0.371489 0.466083 0.081 Uiso 1 1 calc R U . . .
C46 C 0.6391(3) 0.4395(2) 0.68334(16) 0.0561(7) Uani 1 1 d . . . . .
C47 C 0.6883(4) 0.5199(3) 0.68550(19) 0.0712(10) Uani 1 1 d . . . . .
H47 H 0.619580 0.582546 0.695934 0.085 Uiso 1 1 calc R U . . .
C48 C 0.8401(5) 0.5077(4) 0.6721(2) 0.0903(14) Uani 1 1 d . . . . .
H48 H 0.872364 0.561995 0.674588 0.108 Uiso 1 1 calc R U . . .
C49 C 0.9423(5) 0.4163(4) 0.6554(2) 0.0907(13) Uani 1 1 d . . . . .
H49 H 1.043718 0.408606 0.646480 0.109 Uiso 1 1 calc R U . . .
C50 C 0.8961(5) 0.3383(4) 0.65204(19) 0.0845(12) Uani 1 1 d . . . . .
H50 H 0.965761 0.276751 0.639422 0.101 Uiso 1 1 calc R U . . .
C51 C 0.7446(4) 0.3477(3) 0.66712(17) 0.0679(9) Uani 1 1 d . . . . .
H51 H 0.714738 0.292114 0.666248 0.082 Uiso 1 1 calc R U . . .
C52 C 0.3811(4) 0.5200(2) 0.74140(17) 0.0580(8) Uani 1 1 d . . . . .
C53 C 0.2363(4) 0.5642(3) 0.72968(19) 0.0680(9) Uani 1 1 d . . . . .
H53 H 0.207861 0.549033 0.690759 0.082 Uiso 1 1 calc R U . . .
C54 C 0.1337(5) 0.6308(3) 0.7754(3) 0.0887(13) Uani 1 1 d . . . . .
H54 H 0.036127 0.659917 0.767383 0.106 Uiso 1 1 calc R U . . .
C55 C 0.1745(6) 0.6542(4) 0.8327(3) 0.1077(16) Uani 1 1 d . . . . .
H55 H 0.104914 0.699449 0.863333 0.129 Uiso 1 1 calc R U . . .
C56 C 0.3160(6) 0.6115(4) 0.8446(2) 0.1141(18) Uani 1 1 d . . . . .
H56 H 0.343637 0.627543 0.883454 0.137 Uiso 1 1 calc R U . . .
C57 C 0.4202(5) 0.5442(3) 0.7994(2) 0.0856(12) Uani 1 1 d . . . . .
H57 H 0.517196 0.515044 0.808101 0.103 Uiso 1 1 calc R U . . .
C59 C 0.1778(3) -0.0262(2) 0.55774(14) 0.0493(7) Uani 1 1 d . . . . .
C60 C 0.1334(4) -0.1026(2) 0.53857(16) 0.0611(8) Uani 1 1 d . . . . .
H60 H 0.084219 -0.133602 0.570175 0.073 Uiso 1 1 calc R U . . .
C61 C 0.1614(4) -0.1335(3) 0.47314(18) 0.0688(9) Uani 1 1 d . . . . .
H61 H 0.131518 -0.184878 0.459926 0.083 Uiso 1 1 calc R U . . .
C62 C 0.2344(4) -0.0863(3) 0.42804(17) 0.0687(9) Uani 1 1 d . . . . .
H62 H 0.255026 -0.105077 0.383365 0.082 Uiso 1 1 calc R U . . .
C63 C 0.2767(4) -0.0113(2) 0.44942(15) 0.0612(8) Uani 1 1 d . . . . .
H63 H 0.325544 0.020231 0.418044 0.073 Uiso 1 1 calc R U . . .
C64 C -0.1620(3) -0.0386(3) 0.78258(14) 0.0533(7) Uani 1 1 d . . . . .
C65 C -0.2583(4) 0.0349(3) 0.74990(17) 0.0715(10) Uani 1 1 d . . . . .
H65 H -0.235723 0.092235 0.738506 0.086 Uiso 1 1 calc R U . . .
C66 C -0.3877(4) 0.0236(4) 0.7341(2) 0.0929(15) Uani 1 1 d . . . . .
H66 H -0.449352 0.072113 0.710719 0.111 Uiso 1 1 calc R U . . .
C67 C -0.4247(5) -0.0568(5) 0.7524(2) 0.1066(18) Uani 1 1 d . . . . .
H67 H -0.513118 -0.063060 0.742737 0.128 Uiso 1 1 calc R U . . .
C68 C -0.3315(5) -0.1308(4) 0.7858(2) 0.0991(15) Uani 1 1 d . . . . .
H68 H -0.357405 -0.186535 0.798358 0.119 Uiso 1 1 calc R U . . .
C69 C -0.1991(4) -0.1216(3) 0.80047(19) 0.0688(9) Uani 1 1 d . . . . .
H69 H -0.135946 -0.171641 0.822344 0.083 Uiso 1 1 calc R U . . .
Cl2 Cl 0.0882(2) 0.26238(14) 0.39101(12) 0.1649(8) Uani 1 1 d . . . . .
Cl4 Cl -0.1334(2) 0.4227(2) 0.46988(10) 0.1785(9) Uani 1 1 d . . . . .
C12 C 0.0499(7) 0.3409(6) 0.4607(3) 0.157(3) Uani 1 1 d . . . . .
H12A H 0.064086 0.301828 0.499993 0.188 Uiso 1 1 calc R U . . .
H12B H 0.119204 0.378184 0.456031 0.188 Uiso 1 1 calc R U . . .


_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
Pt12 N2 2.130(2) . ?
Pt12 N3 2.141(2) . ?
Pt12 C11 1.961(3) . ?
Pt12 C13 1.960(3) . ?
N1 C1 1.409(4) . ?
N1 C8 1.430(3) . ?
N1 C64 1.423(4) . ?
N2 C59 1.360(4) . ?
N2 C63 1.342(4) . ?
N3 C39 1.357(4) . ?
N3 C41 1.341(4) . ?
N4 C36 1.426(4) . ?
N4 C46 1.420(4) . ?
N4 C52 1.409(4) . ?
N5 C14 1.415(3) . ?
N5 C16 1.453(3) . ?
N5 C33 1.408(4) . ?
C1 C2 1.378(5) . ?
C1 C6 1.384(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.367(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.352(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(5) . ?
C6 H6 0.9300 . ?
C8 C9 1.384(4) . ?
C8 C34 1.380(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.389(4) . ?
C10 C11 1.405(4) . ?
C10 C59 1.476(4) . ?
C11 C33 1.416(4) . ?
C13 C14 1.413(4) . ?
C13 C38 1.412(4) . ?
C14 C35 1.399(4) . ?
C16 C17 1.385(4) . ?
C16 C21 1.373(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.388(4) . ?
C18 C19 1.385(4) . ?
C18 C26 1.534(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.395(4) . ?
C20 C21 1.390(4) . ?
C20 C22 1.525(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.543(6) . ?
C22 C24 1.505(6) . ?
C22 C25 1.523(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.532(10) . ?
C26 C28 1.512(13) . ?
C26 C29 1.607(12) . ?
C26 C30 1.500(11) . ?
C26 C31 1.547(12) . ?
C26 C32 1.472(11) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.401(4) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.388(4) . ?
C36 C37 1.378(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.386(4) . ?
C38 C39 1.467(4) . ?
C39 C44 1.388(4) . ?
C41 H41 0.9300 . ?
C41 C42 1.376(5) . ?
C42 H42 0.9300 . ?
C42 C43 1.362(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.370(5) . ?
C44 H44 0.9300 . ?
C46 C47 1.382(4) . ?
C46 C51 1.384(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.390(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.369(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.335(6) . ?
C50 H50 0.9300 . ?
C50 C51 1.398(5) . ?
C51 H51 0.9300 . ?
C52 C53 1.380(5) . ?
C52 C57 1.378(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.377(5) . ?
C54 H54 0.9300 . ?
C54 C55 1.369(6) . ?
C55 H55 0.9300 . ?
C55 C56 1.351(7) . ?
C56 H56 0.9300 . ?
C56 C57 1.382(6) . ?
C57 H57 0.9300 . ?
C59 C60 1.379(4) . ?
C60 H60 0.9300 . ?
C60 C61 1.375(5) . ?
C61 H61 0.9300 . ?
C61 C62 1.370(5) . ?
C62 H62 0.9300 . ?
C62 C63 1.365(5) . ?
C63 H63 0.9300 . ?
C64 C65 1.390(5) . ?
C64 C69 1.374(5) . ?
C65 H65 0.9300 . ?
C65 C66 1.386(5) . ?
C66 H66 0.9300 . ?
C66 C67 1.340(7) . ?
C67 H67 0.9300 . ?
C67 C68 1.386(7) . ?
C68 H68 0.9300 . ?
C68 C69 1.393(5) . ?
C69 H69 0.9300 . ?
Cl2 C12 1.751(8) . ?
Cl4 C12 1.750(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?

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
N2 Pt12 N3 105.62(9) . . ?
C11 Pt12 N2 80.92(10) . . ?
C11 Pt12 N3 173.35(10) . . ?
C13 Pt12 N2 173.44(10) . . ?
C13 Pt12 N3 80.88(11) . . ?
C13 Pt12 C11 92.60(11) . . ?
C1 N1 C8 119.8(2) . . ?
C1 N1 C64 122.3(2) . . ?
C64 N1 C8 117.0(2) . . ?
C59 N2 Pt12 112.94(19) . . ?
C63 N2 Pt12 130.2(2) . . ?
C63 N2 C59 116.9(3) . . ?
C39 N3 Pt12 112.28(19) . . ?
C41 N3 Pt12 129.9(2) . . ?
C41 N3 C39 117.8(3) . . ?
C46 N4 C36 118.6(3) . . ?
C52 N4 C36 118.3(3) . . ?
C52 N4 C46 122.6(3) . . ?
C14 N5 C16 116.3(2) . . ?
C33 N5 C14 126.9(2) . . ?
C33 N5 C16 116.7(2) . . ?
C2 C1 N1 120.7(3) . . ?
C2 C1 C6 118.2(3) . . ?
C6 C1 N1 121.1(3) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.2(4) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 120.9(4) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.0(4) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.5(4) . . ?
C5 C6 H6 119.8 . . ?
C9 C8 N1 119.7(3) . . ?
C34 C8 N1 120.1(3) . . ?
C34 C8 C9 120.2(3) . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C10 118.6(3) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 C11 123.2(3) . . ?
C9 C10 C59 120.5(3) . . ?
C11 C10 C59 116.3(2) . . ?
C10 C11 Pt12 115.6(2) . . ?
C10 C11 C33 117.0(2) . . ?
C33 C11 Pt12 127.4(2) . . ?
C14 C13 Pt12 127.4(2) . . ?
C38 C13 Pt12 115.5(2) . . ?
C38 C13 C14 117.0(3) . . ?
C13 C14 N5 122.8(2) . . ?
C35 C14 N5 117.7(3) . . ?
C35 C14 C13 119.5(3) . . ?
C17 C16 N5 119.5(3) . . ?
C21 C16 N5 119.7(3) . . ?
C21 C16 C17 120.8(3) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C26 121.1(3) . . ?
C19 C18 C17 118.0(3) . . ?
C19 C18 C26 120.9(3) . . ?
C18 C19 H19 118.7 . . ?
C18 C19 C20 122.5(3) . . ?
C20 C19 H19 118.7 . . ?
C19 C20 C22 122.5(3) . . ?
C21 C20 C19 117.8(3) . . ?
C21 C20 C22 119.8(3) . . ?
C16 C21 C20 120.5(3) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C20 C22 C23 108.2(3) . . ?
C24 C22 C20 110.0(3) . . ?
C24 C22 C23 109.0(4) . . ?
C24 C22 C25 110.1(4) . . ?
C25 C22 C20 112.9(3) . . ?
C25 C22 C23 106.5(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C18 C26 C29 109.0(5) . . ?
C18 C26 C31 106.4(5) . . ?
C27 C26 C18 115.9(4) . . ?
C27 C26 C29 104.4(7) . . ?
C28 C26 C18 111.4(6) . . ?
C28 C26 C27 108.2(8) . . ?
C28 C26 C29 107.5(9) . . ?
C30 C26 C18 112.6(5) . . ?
C30 C26 C31 106.2(7) . . ?
C32 C26 C18 105.5(5) . . ?
C32 C26 C30 115.5(9) . . ?
C32 C26 C31 110.4(10) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C26 C32 H32A 109.5 . . ?
C26 C32 H32B 109.5 . . ?
C26 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C33 C11 122.8(2) . . ?
C34 C33 N5 117.8(2) . . ?
C34 C33 C11 119.4(3) . . ?
C8 C34 C33 121.6(3) . . ?
C8 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C14 C35 H35 119.2 . . ?
C36 C35 C14 121.6(3) . . ?
C36 C35 H35 119.2 . . ?
C35 C36 N4 119.9(3) . . ?
C37 C36 N4 120.2(3) . . ?
C37 C36 C35 119.9(3) . . ?
C36 C37 H37 120.4 . . ?
C36 C37 C38 119.1(3) . . ?
C38 C37 H37 120.4 . . ?
C13 C38 C39 116.1(3) . . ?
C37 C38 C13 122.8(3) . . ?
C37 C38 C39 121.0(3) . . ?
N3 C39 C38 115.0(3) . . ?
N3 C39 C44 120.3(3) . . ?
C44 C39 C38 124.6(3) . . ?
N3 C41 H41 118.2 . . ?
N3 C41 C42 123.5(4) . . ?
C42 C41 H41 118.2 . . ?
C41 C42 H42 120.6 . . ?
C43 C42 C41 118.7(4) . . ?
C43 C42 H42 120.6 . . ?
C42 C43 H43 120.6 . . ?
C42 C43 C44 118.9(3) . . ?
C44 C43 H43 120.6 . . ?
C39 C44 H44 119.7 . . ?
C43 C44 C39 120.6(3) . . ?
C43 C44 H44 119.7 . . ?
C47 C46 N4 121.2(3) . . ?
C47 C46 C51 118.2(3) . . ?
C51 C46 N4 120.6(3) . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.3(4) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.5(4) . . ?
C49 C48 H48 119.8 . . ?
C48 C49 H49 120.1 . . ?
C50 C49 C48 119.8(4) . . ?
C50 C49 H49 120.1 . . ?
C49 C50 H50 119.4 . . ?
C49 C50 C51 121.1(4) . . ?
C51 C50 H50 119.4 . . ?
C46 C51 C50 120.1(4) . . ?
C46 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C53 C52 N4 119.7(3) . . ?
C57 C52 N4 121.6(3) . . ?
C57 C52 C53 118.7(3) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.2(4) . . ?
C54 C53 H53 119.9 . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.4(4) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 120.1 . . ?
C56 C55 C54 119.8(4) . . ?
C56 C55 H55 120.1 . . ?
C55 C56 H56 119.7 . . ?
C55 C56 C57 120.5(5) . . ?
C57 C56 H56 119.7 . . ?
C52 C57 C56 120.4(4) . . ?
C52 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
N2 C59 C10 114.2(3) . . ?
N2 C59 C60 121.2(3) . . ?
C60 C59 C10 124.5(3) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 C59 120.6(3) . . ?
C61 C60 H60 119.7 . . ?
C60 C61 H61 121.0 . . ?
C62 C61 C60 118.0(3) . . ?
C62 C61 H61 121.0 . . ?
C61 C62 H62 120.4 . . ?
C63 C62 C61 119.2(3) . . ?
C63 C62 H62 120.4 . . ?
N2 C63 C62 124.0(3) . . ?
N2 C63 H63 118.0 . . ?
C62 C63 H63 118.0 . . ?
C65 C64 N1 118.4(3) . . ?
C69 C64 N1 122.6(3) . . ?
C69 C64 C65 118.9(3) . . ?
C64 C65 H65 119.7 . . ?
C66 C65 C64 120.5(4) . . ?
C66 C65 H65 119.7 . . ?
C65 C66 H66 119.8 . . ?
C67 C66 C65 120.4(4) . . ?
C67 C66 H66 119.8 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(4) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.1(5) . . ?
C69 C68 H68 120.0 . . ?
C64 C69 C68 119.9(4) . . ?
C64 C69 H69 120.1 . . ?
C68 C69 H69 120.1 . . ?
Cl2 C12 H12A 109.4 . . ?
Cl2 C12 H12B 109.4 . . ?
Cl4 C12 Cl2 111.0(3) . . ?
Cl4 C12 H12A 109.4 . . ?
Cl4 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?

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
Pt12 N2 C59 C10 0.8(3) . . . . ?
Pt12 N2 C59 C60 -178.6(2) . . . . ?
Pt12 N2 C63 C62 178.9(3) . . . . ?
Pt12 N3 C39 C38 4.4(3) . . . . ?
Pt12 N3 C39 C44 -177.3(2) . . . . ?
Pt12 N3 C41 C42 178.3(3) . . . . ?
Pt12 C11 C33 N5 0.4(4) . . . . ?
Pt12 C11 C33 C34 178.8(2) . . . . ?
Pt12 C13 C14 N5 -2.8(4) . . . . ?
Pt12 C13 C14 C35 176.2(2) . . . . ?
Pt12 C13 C38 C37 -178.2(2) . . . . ?
Pt12 C13 C38 C39 -0.5(3) . . . . ?
N1 C1 C2 C3 179.8(4) . . . . ?
N1 C1 C6 C5 179.5(4) . . . . ?
N1 C8 C9 C10 178.3(3) . . . . ?
N1 C8 C34 C33 -179.9(3) . . . . ?
N1 C64 C65 C66 176.2(3) . . . . ?
N1 C64 C69 C68 -177.8(3) . . . . ?
N2 C59 C60 C61 -1.0(5) . . . . ?
N3 C39 C44 C43 -2.4(5) . . . . ?
N3 C41 C42 C43 0.8(6) . . . . ?
N4 C36 C37 C38 175.5(3) . . . . ?
N4 C46 C47 C48 -178.0(3) . . . . ?
N4 C46 C51 C50 176.1(3) . . . . ?
N4 C52 C53 C54 178.9(3) . . . . ?
N4 C52 C57 C56 -179.3(4) . . . . ?
N5 C14 C35 C36 -178.7(3) . . . . ?
N5 C16 C17 C18 178.6(3) . . . . ?
N5 C16 C21 C20 178.8(3) . . . . ?
N5 C33 C34 C8 -179.8(3) . . . . ?
C1 N1 C8 C9 122.6(3) . . . . ?
C1 N1 C8 C34 -58.2(4) . . . . ?
C1 N1 C64 C65 148.7(3) . . . . ?
C1 N1 C64 C69 -33.5(5) . . . . ?
C1 C2 C3 C4 0.3(8) . . . . ?
C2 C1 C6 C5 -1.3(6) . . . . ?
C2 C3 C4 C5 -0.6(8) . . . . ?
C3 C4 C5 C6 -0.1(8) . . . . ?
C4 C5 C6 C1 1.1(7) . . . . ?
C6 C1 C2 C3 0.6(6) . . . . ?
C8 N1 C1 C2 -21.8(5) . . . . ?
C8 N1 C1 C6 157.4(3) . . . . ?
C8 N1 C64 C65 -42.0(4) . . . . ?
C8 N1 C64 C69 135.7(3) . . . . ?
C8 C9 C10 C11 1.5(5) . . . . ?
C8 C9 C10 C59 -179.1(3) . . . . ?
C9 C8 C34 C33 -0.7(5) . . . . ?
C9 C10 C11 Pt12 179.6(2) . . . . ?
C9 C10 C11 C33 -0.5(4) . . . . ?
C9 C10 C59 N2 179.9(3) . . . . ?
C9 C10 C59 C60 -0.8(5) . . . . ?
C10 C11 C33 N5 -179.5(3) . . . . ?
C10 C11 C33 C34 -1.1(4) . . . . ?
C10 C59 C60 C61 179.7(3) . . . . ?
C11 C10 C59 N2 -0.7(4) . . . . ?
C11 C10 C59 C60 178.7(3) . . . . ?
C11 C33 C34 C8 1.7(4) . . . . ?
C13 C14 C35 C36 2.2(4) . . . . ?
C13 C38 C39 N3 -2.8(4) . . . . ?
C13 C38 C39 C44 179.0(3) . . . . ?
C14 N5 C16 C17 -86.3(3) . . . . ?
C14 N5 C16 C21 93.7(3) . . . . ?
C14 N5 C33 C11 -0.9(4) . . . . ?
C14 N5 C33 C34 -179.3(3) . . . . ?
C14 C13 C38 C37 0.9(4) . . . . ?
C14 C13 C38 C39 178.6(2) . . . . ?
C14 C35 C36 N4 -177.5(3) . . . . ?
C14 C35 C36 C37 0.4(5) . . . . ?
C16 N5 C14 C13 -176.1(3) . . . . ?
C16 N5 C14 C35 4.9(4) . . . . ?
C16 N5 C33 C11 177.3(3) . . . . ?
C16 N5 C33 C34 -1.1(4) . . . . ?
C16 C17 C18 C19 2.6(5) . . . . ?
C16 C17 C18 C26 -175.1(3) . . . . ?
C17 C16 C21 C20 -1.2(5) . . . . ?
C17 C18 C19 C20 -1.1(5) . . . . ?
C17 C18 C26 C27 1.9(9) . . . . ?
C17 C18 C26 C28 -122.4(10) . . . . ?
C17 C18 C26 C29 119.2(7) . . . . ?
C17 C18 C26 C30 -167.1(8) . . . . ?
C17 C18 C26 C31 -51.2(8) . . . . ?
C17 C18 C26 C32 66.1(12) . . . . ?
C18 C19 C20 C21 -1.5(5) . . . . ?
C18 C19 C20 C22 179.2(3) . . . . ?
C19 C18 C26 C27 -175.8(8) . . . . ?
C19 C18 C26 C28 60.0(10) . . . . ?
C19 C18 C26 C29 -58.4(8) . . . . ?
C19 C18 C26 C30 15.3(8) . . . . ?
C19 C18 C26 C31 131.2(8) . . . . ?
C19 C18 C26 C32 -111.6(11) . . . . ?
C19 C20 C21 C16 2.7(5) . . . . ?
C19 C20 C22 C23 -127.2(4) . . . . ?
C19 C20 C22 C24 113.8(4) . . . . ?
C19 C20 C22 C25 -9.6(5) . . . . ?
C21 C16 C17 C18 -1.4(5) . . . . ?
C21 C20 C22 C23 53.5(4) . . . . ?
C21 C20 C22 C24 -65.5(5) . . . . ?
C21 C20 C22 C25 171.1(4) . . . . ?
C22 C20 C21 C16 -178.0(3) . . . . ?
C26 C18 C19 C20 176.6(3) . . . . ?
C33 N5 C14 C13 2.1(4) . . . . ?
C33 N5 C14 C35 -176.9(3) . . . . ?
C33 N5 C16 C17 95.3(3) . . . . ?
C33 N5 C16 C21 -84.7(3) . . . . ?
C34 C8 C9 C10 -0.9(5) . . . . ?
C35 C36 C37 C38 -2.3(5) . . . . ?
C36 N4 C46 C47 152.2(3) . . . . ?
C36 N4 C46 C51 -25.2(5) . . . . ?
C36 N4 C52 C53 -41.2(5) . . . . ?
C36 N4 C52 C57 138.0(4) . . . . ?
C36 C37 C38 C13 1.7(5) . . . . ?
C36 C37 C38 C39 -175.9(3) . . . . ?
C37 C38 C39 N3 175.0(3) . . . . ?
C37 C38 C39 C44 -3.3(5) . . . . ?
C38 C13 C14 N5 178.2(3) . . . . ?
C38 C13 C14 C35 -2.8(4) . . . . ?
C38 C39 C44 C43 175.7(3) . . . . ?
C39 N3 C41 C42 -3.2(5) . . . . ?
C41 N3 C39 C38 -174.4(3) . . . . ?
C41 N3 C39 C44 3.9(5) . . . . ?
C41 C42 C43 C44 0.9(6) . . . . ?
C42 C43 C44 C39 0.0(6) . . . . ?
C46 N4 C36 C35 121.9(3) . . . . ?
C46 N4 C36 C37 -56.0(4) . . . . ?
C46 N4 C52 C53 147.4(3) . . . . ?
C46 N4 C52 C57 -33.5(5) . . . . ?
C46 C47 C48 C49 1.3(6) . . . . ?
C47 C46 C51 C50 -1.4(5) . . . . ?
C47 C48 C49 C50 -0.1(7) . . . . ?
C48 C49 C50 C51 -1.8(7) . . . . ?
C49 C50 C51 C46 2.6(6) . . . . ?
C51 C46 C47 C48 -0.5(5) . . . . ?
C52 N4 C36 C35 -49.9(4) . . . . ?
C52 N4 C36 C37 132.2(3) . . . . ?
C52 N4 C46 C47 -36.4(5) . . . . ?
C52 N4 C46 C51 146.2(3) . . . . ?
C52 C53 C54 C55 0.5(7) . . . . ?
C53 C52 C57 C56 -0.1(7) . . . . ?
C53 C54 C55 C56 -0.3(8) . . . . ?
C54 C55 C56 C57 0.0(9) . . . . ?
C55 C56 C57 C52 0.3(8) . . . . ?
C57 C52 C53 C54 -0.2(6) . . . . ?
C59 N2 C63 C62 -1.2(5) . . . . ?
C59 C10 C11 Pt12 0.2(3) . . . . ?
C59 C10 C11 C33 -179.9(2) . . . . ?
C59 C60 C61 C62 0.2(6) . . . . ?
C60 C61 C62 C63 0.1(6) . . . . ?
C61 C62 C63 N2 0.4(6) . . . . ?
C63 N2 C59 C10 -179.1(3) . . . . ?
C63 N2 C59 C60 1.5(4) . . . . ?
C64 N1 C1 C2 147.2(3) . . . . ?
C64 N1 C1 C6 -33.6(5) . . . . ?
C64 N1 C8 C9 -47.0(4) . . . . ?
C64 N1 C8 C34 132.2(3) . . . . ?
C64 C65 C66 C67 2.5(6) . . . . ?
C65 C64 C69 C68 0.0(5) . . . . ?
C65 C66 C67 C68 -1.8(7) . . . . ?
C66 C67 C68 C69 0.1(7) . . . . ?
C67 C68 C69 C64 0.8(6) . . . . ?
C69 C64 C65 C66 -1.6(5) . . . . ?

_shelx_SHELXL_version_number     2018/3
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.507
_oxdiff_exptl_absorpt_empirical_full_min 0.539
####################################################################### 
# 
# 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_pt_3
_database_code_depnum_ccdc_archive 'CCDC 2452980'
loop_
_audit_author_name
_audit_author_address
'Keyue Xu'
;Hainan Normal University
China
;
_audit_update_record             
;
2025-05-21 deposited with the CCDC.	2025-12-09 downloaded from the CCDC.
;
_audit_creation_date             2025-05-19
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H61 N5 Pt, 2(C H2 Cl2)'
_chemical_formula_sum            'C68 H65 Cl4 N5 Pt'
_chemical_formula_weight         1289.14
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Pt Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.6396(4)
_cell_length_b                   11.7535(2)
_cell_length_c                   24.6159(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.9595(16)
_cell_angle_gamma                90
_cell_volume                     5898.63(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16121
_cell_measurement_temperature    200.06(11)
_cell_measurement_theta_max      74.7270
_cell_measurement_theta_min      2.2220
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.468
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            35540
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.920
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.06(11)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -5.00  33.00   0.50    0.05    --  -43.12  38.00  90.00   76
  2  ω    -11.00  23.00   0.50    0.05    --  -43.12  38.00 150.00   68
  3  ω    -15.00  33.00   0.50    0.05    --  -43.12  38.00  60.00   96
  4  ω    -39.00  19.00   0.50    0.05    --  -43.12  56.00  18.00  116
  5  ω    -12.00  29.00   0.50    0.05    --  -43.12  38.00 -60.00   82
  6  ω     49.00  87.00   0.50    0.05    --   43.12-126.00  60.00   76
  7  ω     36.00  91.00   0.50    0.10    --  107.57 -95.00-120.00  110
  8  ω     35.00  91.00   0.50    0.10    --  107.57 -95.00-150.00  112
  9  ω     33.00  90.00   0.50    0.10    --  107.57 -95.00-180.00  114
 10  ω     64.00  93.00   0.50    0.10    --  107.57-126.00-150.00   58
 11  ω     35.00  61.00   0.50    0.10    --  107.57-126.00-150.00   52
 12  ω    -31.00  11.00   0.50    0.05    --   43.12 -38.00 -90.00   84
 13  ω     46.00  77.00   0.50    0.10    --  107.57 -77.00 -90.00   62
 14  ω     35.00  78.00   0.50    0.10    --  107.57 -77.00-120.00   86
 15  ω     38.00  77.00   0.50    0.10    --  107.57 -77.00 -60.00   78
 16  ω    -26.00   6.00   0.50    0.05    --   43.12 -56.00-123.00   64
 17  ω     38.00  78.00   0.50    0.10    --  107.57 -77.00  30.00   80
 18  ω     37.00  69.00   0.50    0.10    --  107.57 -77.00 120.00   64
 19  ω    107.00 134.00   0.50    0.10    --  107.57  15.00 -30.00   54
 20  ω     93.00 168.00   0.50    0.10    --  107.57  56.00  18.00  150
 21  ω     94.00 124.00   0.50    0.10    --  107.57  15.00  90.00   60
 22  ω    120.00 172.00   0.50    0.10    --  107.57  77.00 120.00  104
 23  ω   -128.00 -89.00   0.50    0.10    -- -103.00 -15.00  90.00   78
 24  ω   -161.00 -92.00   0.50    0.10    -- -103.00 -61.00   0.00  138
 25  ω   -148.00-105.00   0.50    0.10    -- -103.00 -61.00 -30.00   86
 26  ω   -164.00-138.00   0.50    0.10    -- -103.00 -56.00-123.00   52
 27  ω    -72.00 -46.00   0.50    0.10    -- -103.00  77.00  90.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0493430000
_diffrn_orient_matrix_UB_12      -0.0530125000
_diffrn_orient_matrix_UB_13      0.0465151000
_diffrn_orient_matrix_UB_21      0.0558649000
_diffrn_orient_matrix_UB_22      0.0692265000
_diffrn_orient_matrix_UB_23      -0.0189710000
_diffrn_orient_matrix_UB_31      -0.0127795000
_diffrn_orient_matrix_UB_32      0.0977396000
_diffrn_orient_matrix_UB_33      0.0385850000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8686
_reflns_number_total             11603
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.143a 64-bit (release 25-10-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.247
_refine_diff_density_min         -1.330
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         11603
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.021
_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)+(0.0621P)²+10.0373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1157
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C21(H21), C23(H23), C26(H26),
 C28(H28), C32(H32), C34(H34), C36(H36), C47(H47), C48(H48), C49(H49), C50(H50),
  C55(H55), C56(H56), C57(H57), C58(H58), C63(H63), C64(H64), C65(H65),
 C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C73(H73), C74(H74), C75(H75),
  C76(H76)
2.c Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C42(H42A,H42B,
 H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C59(H59A,H59B,H59C), C60(H60A,
 H60B,H60C), C77(H77A,H77B,H77C), C78(H78A,H78B,H78C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.35167(2) 0.49856(2) 0.45394(2) 0.02590(7) Uani 1 1 d . . . . .
N1 N 0.33093(16) 0.3878(3) 0.38515(12) 0.0312(7) Uani 1 1 d . . . . .
N2 N 0.42145(16) 0.4114(3) 0.51152(12) 0.0295(7) Uani 1 1 d . . . . .
N3 N 0.44516(16) 0.8693(3) 0.62765(12) 0.0312(7) Uani 1 1 d . . . . .
N4 N 0.28423(17) 0.7547(3) 0.47236(13) 0.0332(7) Uani 1 1 d . . . . .
N5 N 0.11310(18) 0.7307(3) 0.31491(14) 0.0404(8) Uani 1 1 d . . . . .
C9 C 0.49907(19) 0.9374(3) 0.62200(15) 0.0286(8) Uani 1 1 d . . . . .
C10 C 0.5269(2) 1.0101(3) 0.66499(17) 0.0309(8) Uani 1 1 d . . . . .
C11 C 0.4997(2) 1.0194(4) 0.71904(17) 0.0366(9) Uani 1 1 d . . . . .
C12 C 0.4394(2) 0.9441(4) 0.71883(15) 0.0351(9) Uani 1 1 d . . . . .
C13 C 0.4065(2) 0.9438(4) 0.76480(17) 0.0451(11) Uani 1 1 d . . . . .
H13 H 0.420489 0.994128 0.793922 0.054 Uiso 1 1 calc R U . . .
C14 C 0.3544(3) 0.8723(4) 0.76868(18) 0.0496(12) Uani 1 1 d . . . . .
H14 H 0.333662 0.873688 0.800064 0.060 Uiso 1 1 calc R U . . .
C15 C 0.3332(2) 0.7989(4) 0.72603(19) 0.0482(11) Uani 1 1 d . . . . .
H15 H 0.298106 0.749156 0.728537 0.058 Uiso 1 1 calc R U . . .
C16 C 0.3631(2) 0.7979(4) 0.67959(17) 0.0380(9) Uani 1 1 d . . . . .
H16 H 0.347839 0.748154 0.650473 0.046 Uiso 1 1 calc R U . . .
C17 C 0.4161(2) 0.8706(3) 0.67561(15) 0.0310(8) Uani 1 1 d . . . . .
C18 C 0.34205(19) 0.7268(3) 0.50854(14) 0.0292(8) Uani 1 1 d . . . . .
C19 C 0.37276(19) 0.6212(3) 0.50821(15) 0.0287(8) Uani 1 1 d . . . . .
C20 C 0.42809(19) 0.5997(3) 0.54908(15) 0.0293(8) Uani 1 1 d . . . . .
C21 C 0.4521(2) 0.6801(3) 0.58760(15) 0.0308(8) Uani 1 1 d . . . . .
H21 H 0.488191 0.663266 0.614691 0.037 Uiso 1 1 calc R U . . .
C22 C 0.4227(2) 0.7856(3) 0.58605(15) 0.0301(8) Uani 1 1 d . . . . .
C23 C 0.3678(2) 0.8089(3) 0.54691(15) 0.0323(8) Uani 1 1 d . . . . .
H23 H 0.347780 0.880807 0.546390 0.039 Uiso 1 1 calc R U . . .
C25 C 0.25619(19) 0.6906(3) 0.42560(15) 0.0304(8) Uani 1 1 d . . . . .
C26 C 0.1995(2) 0.7339(4) 0.39377(16) 0.0359(9) Uani 1 1 d . . . . .
H26 H 0.180994 0.801658 0.404637 0.043 Uiso 1 1 calc R U . . .
C27 C 0.1702(2) 0.6789(4) 0.34652(16) 0.0362(9) Uani 1 1 d . . . . .
C28 C 0.1949(2) 0.5787(4) 0.32949(16) 0.0357(9) Uani 1 1 d . . . . .
H28 H 0.175356 0.542779 0.296896 0.043 Uiso 1 1 calc R U . . .
C29 C 0.2497(2) 0.5320(4) 0.36207(16) 0.0316(8) Uani 1 1 d . . . . .
C30 C 0.28120(19) 0.5861(3) 0.41031(15) 0.0292(8) Uani 1 1 d . . . . .
C31 C 0.24233(19) 0.8407(3) 0.49042(15) 0.0319(8) Uani 1 1 d . . . . .
C32 C 0.2382(2) 0.9477(4) 0.46710(17) 0.0354(9) Uani 1 1 d . . . . .
H32 H 0.267098 0.968563 0.442807 0.042 Uiso 1 1 calc R U . . .
C33 C 0.1912(2) 1.0254(4) 0.47952(19) 0.0387(9) Uani 1 1 d . . . . .
C34 C 0.1506(2) 0.9920(3) 0.5171(2) 0.0408(10) Uani 1 1 d . . . . .
H34 H 0.118822 1.043385 0.525700 0.049 Uiso 1 1 calc R U . . .
C35 C 0.1554(2) 0.8853(4) 0.54241(17) 0.0412(10) Uani 1 1 d . . . . .
C36 C 0.2022(2) 0.8101(4) 0.52803(17) 0.0373(9) Uani 1 1 d . . . . .
H36 H 0.206419 0.737445 0.544140 0.045 Uiso 1 1 calc R U . . .
C37 C 0.1102(3) 0.8479(5) 0.5828(2) 0.0526(12) Uani 1 1 d . . . . .
C38 C 0.0696(3) 0.7440(6) 0.5584(3) 0.081(2) Uani 1 1 d . . . . .
H38A H 0.040499 0.719901 0.583510 0.122 Uiso 1 1 calc R U . . .
H38B H 0.099053 0.682061 0.552913 0.122 Uiso 1 1 calc R U . . .
H38C H 0.043989 0.764805 0.523363 0.122 Uiso 1 1 calc R U . . .
C39 C 0.0613(3) 0.9385(6) 0.5925(3) 0.0769(19) Uani 1 1 d . . . . .
H39A H 0.084480 1.006481 0.606805 0.115 Uiso 1 1 calc R U . . .
H39B H 0.034463 0.910870 0.618729 0.115 Uiso 1 1 calc R U . . .
H39C H 0.033422 0.956186 0.557998 0.115 Uiso 1 1 calc R U . . .
C40 C 0.1513(4) 0.8133(8) 0.6372(3) 0.092(2) Uani 1 1 d . . . . .
H40A H 0.185943 0.762243 0.630150 0.138 Uiso 1 1 calc R U . . .
H40B H 0.123617 0.775157 0.659933 0.138 Uiso 1 1 calc R U . . .
H40C H 0.170444 0.880642 0.656057 0.138 Uiso 1 1 calc R U . . .
C41 C 0.1831(3) 1.1405(4) 0.4493(2) 0.0515(12) Uani 1 1 d . . . . .
C42 C 0.1651(5) 1.1178(6) 0.3874(3) 0.110(3) Uani 1 1 d . . . . .
H42A H 0.200146 1.075164 0.374750 0.165 Uiso 1 1 calc R U . . .
H42B H 0.159173 1.189627 0.367911 0.165 Uiso 1 1 calc R U . . .
H42C H 0.124783 1.074224 0.380545 0.165 Uiso 1 1 calc R U . . .
C43 C 0.1303(4) 1.2132(5) 0.4675(4) 0.094(3) Uani 1 1 d . . . . .
H43A H 0.089076 1.172087 0.461852 0.142 Uiso 1 1 calc R U . . .
H43B H 0.125711 1.282941 0.446177 0.142 Uiso 1 1 calc R U . . .
H43C H 0.142214 1.231459 0.506209 0.142 Uiso 1 1 calc R U . . .
C44 C 0.2470(3) 1.2038(5) 0.4603(3) 0.082(2) Uani 1 1 d . . . . .
H44A H 0.261123 1.209548 0.499631 0.123 Uiso 1 1 calc R U . . .
H44B H 0.241181 1.279506 0.444566 0.123 Uiso 1 1 calc R U . . .
H44C H 0.279823 1.163254 0.443658 0.123 Uiso 1 1 calc R U . . .
C46 C 0.0541(2) 0.7241(4) 0.33634(18) 0.0418(10) Uani 1 1 d . . . . .
C47 C 0.0493(3) 0.6581(5) 0.3828(2) 0.0538(12) Uani 1 1 d . . . . .
H47 H 0.085642 0.615293 0.399164 0.065 Uiso 1 1 calc R U . . .
C48 C -0.0084(3) 0.6549(6) 0.4049(2) 0.0668(15) Uani 1 1 d . . . . .
H48 H -0.010865 0.610535 0.436314 0.080 Uiso 1 1 calc R U . . .
C49 C -0.0620(3) 0.7165(6) 0.3812(2) 0.0642(15) Uani 1 1 d . . . . .
H49 H -0.100778 0.716581 0.396795 0.077 Uiso 1 1 calc R U . . .
C50 C -0.0579(3) 0.7783(5) 0.3341(2) 0.0583(13) Uani 1 1 d . . . . .
H50 H -0.095035 0.818723 0.317438 0.070 Uiso 1 1 calc R U . . .
C51 C -0.0011(2) 0.7831(4) 0.3102(2) 0.0458(11) Uani 1 1 d . . . . .
C52 C 0.0016(3) 0.8393(5) 0.2553(2) 0.0577(13) Uani 1 1 d . . . . .
C53 C 0.0701(2) 0.8865(4) 0.2549(2) 0.0502(11) Uani 1 1 d . . . . .
C54 C 0.1245(2) 0.8264(4) 0.28261(17) 0.0433(10) Uani 1 1 d . . . . .
C55 C 0.0833(3) 0.9812(5) 0.2246(3) 0.0714(18) Uani 1 1 d . . . . .
H55 H 0.047823 1.023344 0.206217 0.086 Uiso 1 1 calc R U . . .
C56 C 0.1460(4) 1.0163(6) 0.2202(3) 0.079(2) Uani 1 1 d . . . . .
H56 H 0.152858 1.081140 0.199520 0.094 Uiso 1 1 calc R U . . .
C57 C 0.1988(3) 0.9548(6) 0.2467(3) 0.0684(16) Uani 1 1 d . . . . .
H57 H 0.241839 0.976638 0.243640 0.082 Uiso 1 1 calc R U . . .
C58 C 0.1876(3) 0.8608(4) 0.2779(2) 0.0503(11) Uani 1 1 d . . . . .
H58 H 0.223532 0.819462 0.296139 0.060 Uiso 1 1 calc R U . . .
C59 C -0.0512(4) 0.9282(8) 0.2416(4) 0.110(3) Uani 1 1 d . . . . .
H59A H -0.045400 0.987442 0.269327 0.166 Uiso 1 1 calc R U . . .
H59B H -0.093914 0.893153 0.240645 0.166 Uiso 1 1 calc R U . . .
H59C H -0.048209 0.961032 0.205903 0.166 Uiso 1 1 calc R U . . .
C60 C -0.0103(4) 0.7455(7) 0.2110(2) 0.086(2) Uani 1 1 d . . . . .
H60A H -0.009074 0.778766 0.175066 0.129 Uiso 1 1 calc R U . . .
H60B H -0.052809 0.710902 0.211530 0.129 Uiso 1 1 calc R U . . .
H60C H 0.023662 0.687983 0.218414 0.129 Uiso 1 1 calc R U . . .
C62 C 0.2796(2) 0.4251(3) 0.34740(16) 0.0344(9) Uani 1 1 d . . . . .
C63 C 0.2611(2) 0.3643(4) 0.29918(17) 0.0444(10) Uani 1 1 d . . . . .
H63 H 0.225776 0.389517 0.273192 0.053 Uiso 1 1 calc R U . . .
C64 C 0.2947(3) 0.2667(4) 0.28943(19) 0.0505(12) Uani 1 1 d . . . . .
H64 H 0.281939 0.224940 0.256961 0.061 Uiso 1 1 calc R U . . .
C65 C 0.3466(2) 0.2308(4) 0.32717(18) 0.0446(10) Uani 1 1 d . . . . .
H65 H 0.370219 0.164772 0.321121 0.054 Uiso 1 1 calc R U . . .
C66 C 0.3632(2) 0.2948(4) 0.37436(17) 0.0383(9) Uani 1 1 d . . . . .
H66 H 0.399147 0.271370 0.400159 0.046 Uiso 1 1 calc R U . . .
C67 C 0.4531(2) 0.4825(3) 0.55040(16) 0.0300(8) Uani 1 1 d . . . . .
C68 C 0.5028(2) 0.4403(4) 0.58991(16) 0.0362(9) Uani 1 1 d . . . . .
H68 H 0.526868 0.490223 0.615261 0.043 Uiso 1 1 calc R U . . .
C69 C 0.5171(2) 0.3258(4) 0.59210(17) 0.0393(9) Uani 1 1 d . . . . .
H69 H 0.550887 0.297415 0.618666 0.047 Uiso 1 1 calc R U . . .
C70 C 0.4813(2) 0.2535(4) 0.55497(17) 0.0408(10) Uani 1 1 d . . . . .
H70 H 0.488842 0.174644 0.556651 0.049 Uiso 1 1 calc R U . . .
C71 C 0.4342(2) 0.2997(3) 0.51521(16) 0.0337(8) Uani 1 1 d . . . . .
H71 H 0.409961 0.250611 0.489569 0.040 Uiso 1 1 calc R U . . .
C73 C 0.5822(2) 1.0729(3) 0.65712(18) 0.0389(9) Uani 1 1 d . . . . .
H73 H 0.601689 1.120889 0.685598 0.047 Uiso 1 1 calc R U . . .
C74 C 0.6093(2) 1.0677(4) 0.60943(19) 0.0419(10) Uani 1 1 d . . . . .
H74 H 0.646501 1.111202 0.605601 0.050 Uiso 1 1 calc R U . . .
C75 C 0.5807(2) 0.9970(3) 0.56709(19) 0.0380(9) Uani 1 1 d . . . . .
H75 H 0.598634 0.992347 0.534304 0.046 Uiso 1 1 calc R U . . .
C76 C 0.5261(2) 0.9338(3) 0.57337(16) 0.0333(8) Uani 1 1 d . . . . .
H76 H 0.506542 0.887270 0.544301 0.040 Uiso 1 1 calc R U . . .
C77 C 0.4826(3) 1.1456(4) 0.7284(2) 0.0533(12) Uani 1 1 d . . . . .
H77A H 0.522204 1.191228 0.731616 0.080 Uiso 1 1 calc R U . . .
H77B H 0.463589 1.152126 0.761849 0.080 Uiso 1 1 calc R U . . .
H77C H 0.451403 1.172392 0.697446 0.080 Uiso 1 1 calc R U . . .
C78 C 0.5537(3) 0.9814(5) 0.7663(2) 0.0537(13) Uani 1 1 d . . . . .
H78A H 0.564043 0.901811 0.761514 0.081 Uiso 1 1 calc R U . . .
H78B H 0.538275 0.991372 0.801237 0.081 Uiso 1 1 calc R U . . .
H78C H 0.592800 1.027003 0.765791 0.081 Uiso 1 1 calc R U . . .
Cl1 Cl 0.18460(16) 0.4800(2) 0.5592(2) 0.1672(16) Uani 1 1 d . . . . .
Cl2 Cl 0.3057(2) 0.4893(4) 0.63096(13) 0.196(2) Uani 1 1 d . . . . .
C6 C 0.2635(4) 0.4358(8) 0.5709(3) 0.098(3) Uani 1 1 d . . . . .
H6A H 0.285313 0.459628 0.540134 0.117 Uiso 1 1 calc R U . . .
H6B H 0.264461 0.352492 0.572437 0.117 Uiso 1 1 calc R U . . .
Cl3 Cl 0.22622(8) 1.15568(16) 0.64385(7) 0.0790(4) Uani 1 1 d . . . . .
Cl4 Cl 0.34874(8) 1.12522(14) 0.60079(7) 0.0744(4) Uani 1 1 d . . . . .
C3 C 0.2869(3) 1.0592(6) 0.6306(3) 0.0766(18) Uani 1 1 d . . . . .
H3A H 0.306430 1.023038 0.665173 0.092 Uiso 1 1 calc R U . . .
H3B H 0.266496 0.999478 0.605903 0.092 Uiso 1 1 calc R U . . .


_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 2.126(3) . ?
Pt1 N2 2.121(3) . ?
Pt1 C19 1.967(4) . ?
Pt1 C30 1.960(4) . ?
N1 C62 1.368(5) . ?
N1 C66 1.327(5) . ?
N2 C67 1.359(5) . ?
N2 C71 1.339(5) . ?
N3 C9 1.395(5) . ?
N3 C17 1.405(5) . ?
N3 C22 1.443(5) . ?
N4 C18 1.412(5) . ?
N4 C25 1.421(5) . ?
N4 C31 1.445(5) . ?
N5 C27 1.442(5) . ?
N5 C46 1.403(6) . ?
N5 C54 1.418(6) . ?
C9 C10 1.411(5) . ?
C9 C76 1.397(5) . ?
C10 C11 1.526(6) . ?
C10 C73 1.397(6) . ?
C11 C12 1.527(6) . ?
C11 C77 1.549(6) . ?
C11 C78 1.547(6) . ?
C12 C13 1.408(6) . ?
C12 C17 1.397(6) . ?
C13 H13 0.9400 . ?
C13 C14 1.379(7) . ?
C14 H14 0.9400 . ?
C14 C15 1.377(7) . ?
C15 H15 0.9400 . ?
C15 C16 1.381(6) . ?
C16 H16 0.9400 . ?
C16 C17 1.403(6) . ?
C18 C19 1.395(5) . ?
C18 C23 1.396(5) . ?
C19 C20 1.422(5) . ?
C20 C21 1.375(5) . ?
C20 C67 1.469(5) . ?
C21 H21 0.9400 . ?
C21 C22 1.379(6) . ?
C22 C23 1.396(6) . ?
C23 H23 0.9400 . ?
C25 C26 1.398(6) . ?
C25 C30 1.406(5) . ?
C26 H26 0.9400 . ?
C26 C27 1.385(6) . ?
C27 C28 1.374(6) . ?
C28 H28 0.9400 . ?
C28 C29 1.394(6) . ?
C29 C30 1.413(5) . ?
C29 C62 1.469(6) . ?
C31 C32 1.379(6) . ?
C31 C36 1.383(6) . ?
C32 H32 0.9400 . ?
C32 C33 1.401(6) . ?
C33 C34 1.397(7) . ?
C33 C41 1.540(6) . ?
C34 H34 0.9400 . ?
C34 C35 1.397(6) . ?
C35 C36 1.394(6) . ?
C35 C37 1.531(6) . ?
C36 H36 0.9400 . ?
C37 C38 1.548(8) . ?
C37 C39 1.512(8) . ?
C37 C40 1.523(8) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?
C41 C42 1.534(8) . ?
C41 C43 1.506(8) . ?
C41 C44 1.502(8) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 H42C 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 H44C 0.9700 . ?
C46 C47 1.398(7) . ?
C46 C51 1.401(6) . ?
C47 H47 0.9400 . ?
C47 C48 1.385(8) . ?
C48 H48 0.9400 . ?
C48 C49 1.373(8) . ?
C49 H49 0.9400 . ?
C49 C50 1.383(8) . ?
C50 H50 0.9400 . ?
C50 C51 1.391(7) . ?
C51 C52 1.512(7) . ?
C52 C53 1.519(8) . ?
C52 C59 1.510(8) . ?
C52 C60 1.544(9) . ?
C53 C54 1.409(6) . ?
C53 C55 1.391(8) . ?
C54 C58 1.387(7) . ?
C55 H55 0.9400 . ?
C55 C56 1.378(10) . ?
C56 H56 0.9400 . ?
C56 C57 1.382(9) . ?
C57 H57 0.9400 . ?
C57 C58 1.384(8) . ?
C58 H58 0.9400 . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 H59C 0.9700 . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 H60C 0.9700 . ?
C62 C63 1.387(6) . ?
C63 H63 0.9400 . ?
C63 C64 1.380(6) . ?
C64 H64 0.9400 . ?
C64 C65 1.372(7) . ?
C65 H65 0.9400 . ?
C65 C66 1.382(6) . ?
C66 H66 0.9400 . ?
C67 C68 1.391(6) . ?
C68 H68 0.9400 . ?
C68 C69 1.376(6) . ?
C69 H69 0.9400 . ?
C69 C70 1.376(6) . ?
C70 H70 0.9400 . ?
C70 C71 1.379(6) . ?
C71 H71 0.9400 . ?
C73 H73 0.9400 . ?
C73 C74 1.379(6) . ?
C74 H74 0.9400 . ?
C74 C75 1.389(6) . ?
C75 H75 0.9400 . ?
C75 C76 1.380(6) . ?
C76 H76 0.9400 . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 H77C 0.9700 . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C78 H78C 0.9700 . ?
Cl1 C6 1.690(9) . ?
Cl2 C6 1.716(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
Cl3 C3 1.757(6) . ?
Cl4 C3 1.750(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 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
N2 Pt1 N1 105.53(12) . . ?
C19 Pt1 N1 170.19(14) . . ?
C19 Pt1 N2 81.07(14) . . ?
C30 Pt1 N1 81.09(14) . . ?
C30 Pt1 N2 171.38(13) . . ?
C30 Pt1 C19 93.11(16) . . ?
C62 N1 Pt1 112.5(2) . . ?
C66 N1 Pt1 128.2(3) . . ?
C66 N1 C62 119.2(3) . . ?
C67 N2 Pt1 112.0(3) . . ?
C71 N2 Pt1 128.7(3) . . ?
C71 N2 C67 119.2(3) . . ?
C9 N3 C17 122.0(3) . . ?
C9 N3 C22 119.6(3) . . ?
C17 N3 C22 118.1(3) . . ?
C18 N4 C25 125.8(3) . . ?
C18 N4 C31 117.1(3) . . ?
C25 N4 C31 115.6(3) . . ?
C46 N5 C27 117.3(4) . . ?
C46 N5 C54 118.9(4) . . ?
C54 N5 C27 116.4(4) . . ?
N3 C9 C10 120.7(3) . . ?
N3 C9 C76 119.9(3) . . ?
C76 C9 C10 119.4(4) . . ?
C9 C10 C11 122.3(4) . . ?
C73 C10 C9 117.5(4) . . ?
C73 C10 C11 120.1(4) . . ?
C10 C11 C12 111.5(3) . . ?
C10 C11 C77 108.7(4) . . ?
C10 C11 C78 108.3(4) . . ?
C12 C11 C77 110.6(4) . . ?
C12 C11 C78 109.1(4) . . ?
C78 C11 C77 108.6(4) . . ?
C13 C12 C11 119.6(4) . . ?
C17 C12 C11 123.1(3) . . ?
C17 C12 C13 117.3(4) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 C12 122.4(4) . . ?
C14 C13 H13 118.8 . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(4) . . ?
C17 C16 H16 119.8 . . ?
C12 C17 N3 120.3(4) . . ?
C12 C17 C16 120.2(4) . . ?
C16 C17 N3 119.5(3) . . ?
C19 C18 N4 122.9(3) . . ?
C19 C18 C23 119.6(4) . . ?
C23 C18 N4 117.5(3) . . ?
C18 C19 Pt1 127.1(3) . . ?
C18 C19 C20 118.0(3) . . ?
C20 C19 Pt1 114.8(3) . . ?
C19 C20 C67 115.0(3) . . ?
C21 C20 C19 122.0(4) . . ?
C21 C20 C67 122.8(4) . . ?
C20 C21 H21 120.4 . . ?
C20 C21 C22 119.3(4) . . ?
C22 C21 H21 120.4 . . ?
C21 C22 N3 120.1(3) . . ?
C21 C22 C23 120.1(3) . . ?
C23 C22 N3 119.6(3) . . ?
C18 C23 H23 119.5 . . ?
C22 C23 C18 121.0(4) . . ?
C22 C23 H23 119.5 . . ?
C26 C25 N4 117.4(3) . . ?
C26 C25 C30 118.5(3) . . ?
C30 C25 N4 124.0(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.2(4) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 N5 118.0(4) . . ?
C28 C27 N5 120.5(4) . . ?
C28 C27 C26 121.5(4) . . ?
C27 C28 H28 121.0 . . ?
C27 C28 C29 117.9(4) . . ?
C29 C28 H28 121.0 . . ?
C28 C29 C30 122.1(4) . . ?
C28 C29 C62 122.0(4) . . ?
C30 C29 C62 115.9(4) . . ?
C25 C30 Pt1 125.7(3) . . ?
C25 C30 C29 118.6(4) . . ?
C29 C30 Pt1 115.4(3) . . ?
C32 C31 N4 120.7(4) . . ?
C32 C31 C36 120.8(4) . . ?
C36 C31 N4 118.3(4) . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(4) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C41 119.6(4) . . ?
C34 C33 C32 118.0(4) . . ?
C34 C33 C41 122.3(4) . . ?
C33 C34 H34 118.7 . . ?
C35 C34 C33 122.6(4) . . ?
C35 C34 H34 118.7 . . ?
C34 C35 C37 122.7(4) . . ?
C36 C35 C34 117.4(4) . . ?
C36 C35 C37 119.9(4) . . ?
C31 C36 C35 121.0(4) . . ?
C31 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C35 C37 C38 108.8(4) . . ?
C39 C37 C35 112.9(4) . . ?
C39 C37 C38 106.4(5) . . ?
C39 C37 C40 110.1(5) . . ?
C40 C37 C35 109.6(4) . . ?
C40 C37 C38 108.9(6) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C33 108.5(5) . . ?
C43 C41 C33 112.6(4) . . ?
C43 C41 C42 108.7(6) . . ?
C44 C41 C33 108.8(4) . . ?
C44 C41 C42 109.5(6) . . ?
C44 C41 C43 108.7(5) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C46 N5 120.9(4) . . ?
C47 C46 C51 119.6(4) . . ?
C51 C46 N5 119.4(4) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 C46 120.7(5) . . ?
C48 C47 H47 119.6 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.2(6) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.6 . . ?
C48 C49 C50 118.9(5) . . ?
C50 C49 H49 120.6 . . ?
C49 C50 H50 118.6 . . ?
C49 C50 C51 122.8(5) . . ?
C51 C50 H50 118.6 . . ?
C46 C51 C52 119.0(4) . . ?
C50 C51 C46 117.6(5) . . ?
C50 C51 C52 123.1(5) . . ?
C51 C52 C53 109.3(4) . . ?
C51 C52 C60 107.2(5) . . ?
C53 C52 C60 107.5(5) . . ?
C59 C52 C51 112.1(5) . . ?
C59 C52 C53 112.7(5) . . ?
C59 C52 C60 107.8(6) . . ?
C54 C53 C52 119.0(5) . . ?
C55 C53 C52 123.8(5) . . ?
C55 C53 C54 116.9(5) . . ?
C53 C54 N5 118.7(4) . . ?
C58 C54 N5 121.2(4) . . ?
C58 C54 C53 120.1(5) . . ?
C53 C55 H55 118.4 . . ?
C56 C55 C53 123.1(6) . . ?
C56 C55 H55 118.4 . . ?
C55 C56 H56 120.4 . . ?
C55 C56 C57 119.1(6) . . ?
C57 C56 H56 120.4 . . ?
C56 C57 H57 120.3 . . ?
C56 C57 C58 119.5(6) . . ?
C58 C57 H57 120.3 . . ?
C54 C58 H58 119.4 . . ?
C57 C58 C54 121.2(5) . . ?
C57 C58 H58 119.4 . . ?
C52 C59 H59A 109.5 . . ?
C52 C59 H59B 109.5 . . ?
C52 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C52 C60 H60A 109.5 . . ?
C52 C60 H60B 109.5 . . ?
C52 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N1 C62 C29 114.7(3) . . ?
N1 C62 C63 119.8(4) . . ?
C63 C62 C29 125.5(4) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 C62 119.9(4) . . ?
C64 C63 H63 120.1 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 119.9(4) . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 121.1 . . ?
C64 C65 C66 117.8(4) . . ?
C66 C65 H65 121.1 . . ?
N1 C66 C65 123.4(4) . . ?
N1 C66 H66 118.3 . . ?
C65 C66 H66 118.3 . . ?
N2 C67 C20 115.6(3) . . ?
N2 C67 C68 119.6(4) . . ?
C68 C67 C20 124.6(4) . . ?
C67 C68 H68 119.8 . . ?
C69 C68 C67 120.4(4) . . ?
C69 C68 H68 119.8 . . ?
C68 C69 H69 120.4 . . ?
C70 C69 C68 119.2(4) . . ?
C70 C69 H69 120.4 . . ?
C69 C70 H70 120.8 . . ?
C69 C70 C71 118.3(4) . . ?
C71 C70 H70 120.8 . . ?
N2 C71 C70 122.9(4) . . ?
N2 C71 H71 118.5 . . ?
C70 C71 H71 118.5 . . ?
C10 C73 H73 118.6 . . ?
C74 C73 C10 122.9(4) . . ?
C74 C73 H73 118.6 . . ?
C73 C74 H74 120.5 . . ?
C73 C74 C75 119.0(4) . . ?
C75 C74 H74 120.5 . . ?
C74 C75 H75 120.1 . . ?
C76 C75 C74 119.8(4) . . ?
C76 C75 H75 120.1 . . ?
C9 C76 H76 119.3 . . ?
C75 C76 C9 121.4(4) . . ?
C75 C76 H76 119.3 . . ?
C11 C77 H77A 109.5 . . ?
C11 C77 H77B 109.5 . . ?
C11 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C11 C78 H78A 109.5 . . ?
C11 C78 H78B 109.5 . . ?
C11 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
Cl1 C6 Cl2 112.4(5) . . ?
Cl1 C6 H6A 109.1 . . ?
Cl1 C6 H6B 109.1 . . ?
Cl2 C6 H6A 109.1 . . ?
Cl2 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
Cl3 C3 H3A 109.1 . . ?
Cl3 C3 H3B 109.1 . . ?
Cl4 C3 Cl3 112.3(4) . . ?
Cl4 C3 H3A 109.1 . . ?
Cl4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.9 . . ?

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 C62 C29 -0.2(4) . . . . ?
Pt1 N1 C62 C63 177.9(3) . . . . ?
Pt1 N1 C66 C65 -177.7(3) . . . . ?
Pt1 N2 C67 C20 6.9(4) . . . . ?
Pt1 N2 C67 C68 -176.9(3) . . . . ?
Pt1 N2 C71 C70 180.0(3) . . . . ?
Pt1 C19 C20 C21 175.2(3) . . . . ?
Pt1 C19 C20 C67 -10.7(4) . . . . ?
N1 C62 C63 C64 -0.2(7) . . . . ?
N2 C67 C68 C69 -4.4(6) . . . . ?
N3 C9 C10 C11 -0.7(6) . . . . ?
N3 C9 C10 C73 177.9(4) . . . . ?
N3 C9 C76 C75 -177.7(4) . . . . ?
N3 C22 C23 C18 -175.5(3) . . . . ?
N4 C18 C19 Pt1 8.6(5) . . . . ?
N4 C18 C19 C20 -175.6(3) . . . . ?
N4 C18 C23 C22 176.5(3) . . . . ?
N4 C25 C26 C27 177.9(4) . . . . ?
N4 C25 C30 Pt1 8.1(6) . . . . ?
N4 C25 C30 C29 -178.5(4) . . . . ?
N4 C31 C32 C33 171.4(4) . . . . ?
N4 C31 C36 C35 -172.8(4) . . . . ?
N5 C27 C28 C29 -179.3(4) . . . . ?
N5 C46 C47 C48 177.7(5) . . . . ?
N5 C46 C51 C50 -177.3(4) . . . . ?
N5 C46 C51 C52 8.2(7) . . . . ?
N5 C54 C58 C57 -179.4(5) . . . . ?
C9 N3 C17 C12 2.2(6) . . . . ?
C9 N3 C17 C16 -178.2(4) . . . . ?
C9 N3 C22 C21 83.7(5) . . . . ?
C9 N3 C22 C23 -101.5(4) . . . . ?
C9 C10 C11 C12 -1.5(5) . . . . ?
C9 C10 C11 C77 -123.7(4) . . . . ?
C9 C10 C11 C78 118.5(4) . . . . ?
C9 C10 C73 C74 1.0(6) . . . . ?
C10 C9 C76 C75 2.1(6) . . . . ?
C10 C11 C12 C13 -178.3(4) . . . . ?
C10 C11 C12 C17 4.3(6) . . . . ?
C10 C73 C74 C75 0.0(7) . . . . ?
C11 C10 C73 C74 179.6(4) . . . . ?
C11 C12 C13 C14 -175.7(4) . . . . ?
C11 C12 C17 N3 -4.8(6) . . . . ?
C11 C12 C17 C16 175.6(4) . . . . ?
C12 C13 C14 C15 -0.5(7) . . . . ?
C13 C12 C17 N3 177.8(4) . . . . ?
C13 C12 C17 C16 -1.8(6) . . . . ?
C13 C14 C15 C16 -0.9(7) . . . . ?
C14 C15 C16 C17 0.9(7) . . . . ?
C15 C16 C17 N3 -179.1(4) . . . . ?
C15 C16 C17 C12 0.5(6) . . . . ?
C17 N3 C9 C10 0.5(6) . . . . ?
C17 N3 C9 C76 -179.6(3) . . . . ?
C17 N3 C22 C21 -89.5(5) . . . . ?
C17 N3 C22 C23 85.4(4) . . . . ?
C17 C12 C13 C14 1.8(7) . . . . ?
C18 N4 C25 C26 -178.2(4) . . . . ?
C18 N4 C25 C30 3.1(6) . . . . ?
C18 N4 C31 C32 107.7(4) . . . . ?
C18 N4 C31 C36 -78.0(5) . . . . ?
C18 C19 C20 C21 -1.1(6) . . . . ?
C18 C19 C20 C67 173.0(3) . . . . ?
C19 C18 C23 C22 -1.9(6) . . . . ?
C19 C20 C21 C22 -1.4(6) . . . . ?
C19 C20 C67 N2 1.9(5) . . . . ?
C19 C20 C67 C68 -174.1(4) . . . . ?
C20 C21 C22 N3 177.0(3) . . . . ?
C20 C21 C22 C23 2.2(6) . . . . ?
C20 C67 C68 C69 171.4(4) . . . . ?
C21 C20 C67 N2 176.0(4) . . . . ?
C21 C20 C67 C68 0.0(6) . . . . ?
C21 C22 C23 C18 -0.6(6) . . . . ?
C22 N3 C9 C10 -172.3(3) . . . . ?
C22 N3 C9 C76 7.5(5) . . . . ?
C22 N3 C17 C12 175.2(4) . . . . ?
C22 N3 C17 C16 -5.2(5) . . . . ?
C23 C18 C19 Pt1 -173.1(3) . . . . ?
C23 C18 C19 C20 2.7(5) . . . . ?
C25 N4 C18 C19 -11.7(6) . . . . ?
C25 N4 C18 C23 170.0(4) . . . . ?
C25 N4 C31 C32 -85.1(5) . . . . ?
C25 N4 C31 C36 89.2(4) . . . . ?
C25 C26 C27 N5 -178.0(4) . . . . ?
C25 C26 C27 C28 1.1(7) . . . . ?
C26 C25 C30 Pt1 -170.7(3) . . . . ?
C26 C25 C30 C29 2.8(6) . . . . ?
C26 C27 C28 C29 1.6(6) . . . . ?
C27 N5 C46 C47 -7.7(6) . . . . ?
C27 N5 C46 C51 173.4(4) . . . . ?
C27 N5 C54 C53 -174.3(4) . . . . ?
C27 N5 C54 C58 6.0(6) . . . . ?
C27 C28 C29 C30 -2.1(6) . . . . ?
C27 C28 C29 C62 179.9(4) . . . . ?
C28 C29 C30 Pt1 174.0(3) . . . . ?
C28 C29 C30 C25 -0.1(6) . . . . ?
C28 C29 C62 N1 -176.7(4) . . . . ?
C28 C29 C62 C63 5.3(7) . . . . ?
C29 C62 C63 C64 177.8(5) . . . . ?
C30 C25 C26 C27 -3.3(6) . . . . ?
C30 C29 C62 N1 5.1(5) . . . . ?
C30 C29 C62 C63 -172.9(4) . . . . ?
C31 N4 C18 C19 154.0(4) . . . . ?
C31 N4 C18 C23 -24.3(5) . . . . ?
C31 N4 C25 C26 15.9(5) . . . . ?
C31 N4 C25 C30 -162.9(4) . . . . ?
C31 C32 C33 C34 1.9(7) . . . . ?
C31 C32 C33 C41 -174.6(4) . . . . ?
C32 C31 C36 C35 1.5(6) . . . . ?
C32 C33 C34 C35 0.1(7) . . . . ?
C32 C33 C41 C42 59.5(7) . . . . ?
C32 C33 C41 C43 179.8(5) . . . . ?
C32 C33 C41 C44 -59.6(6) . . . . ?
C33 C34 C35 C36 -1.3(7) . . . . ?
C33 C34 C35 C37 -178.9(5) . . . . ?
C34 C33 C41 C42 -116.9(6) . . . . ?
C34 C33 C41 C43 3.5(8) . . . . ?
C34 C33 C41 C44 124.1(6) . . . . ?
C34 C35 C36 C31 0.4(7) . . . . ?
C34 C35 C37 C38 117.2(6) . . . . ?
C34 C35 C37 C39 -0.7(7) . . . . ?
C34 C35 C37 C40 -123.8(6) . . . . ?
C36 C31 C32 C33 -2.7(6) . . . . ?
C36 C35 C37 C38 -60.4(6) . . . . ?
C36 C35 C37 C39 -178.2(5) . . . . ?
C36 C35 C37 C40 58.6(7) . . . . ?
C37 C35 C36 C31 178.1(4) . . . . ?
C41 C33 C34 C35 176.5(5) . . . . ?
C46 N5 C27 C26 -74.2(5) . . . . ?
C46 N5 C27 C28 106.7(5) . . . . ?
C46 N5 C54 C53 -25.0(6) . . . . ?
C46 N5 C54 C58 155.2(4) . . . . ?
C46 C47 C48 C49 0.4(9) . . . . ?
C46 C51 C52 C53 -36.2(6) . . . . ?
C46 C51 C52 C59 -161.8(6) . . . . ?
C46 C51 C52 C60 80.1(6) . . . . ?
C47 C46 C51 C50 3.8(7) . . . . ?
C47 C46 C51 C52 -170.7(5) . . . . ?
C47 C48 C49 C50 2.1(9) . . . . ?
C48 C49 C50 C51 -1.6(9) . . . . ?
C49 C50 C51 C46 -1.3(8) . . . . ?
C49 C50 C51 C52 172.9(5) . . . . ?
C50 C51 C52 C53 149.7(5) . . . . ?
C50 C51 C52 C59 24.1(8) . . . . ?
C50 C51 C52 C60 -94.1(6) . . . . ?
C51 C46 C47 C48 -3.4(8) . . . . ?
C51 C52 C53 C54 35.4(6) . . . . ?
C51 C52 C53 C55 -150.5(6) . . . . ?
C52 C53 C54 N5 -6.8(7) . . . . ?
C52 C53 C54 C58 173.0(5) . . . . ?
C52 C53 C55 C56 -173.3(7) . . . . ?
C53 C54 C58 C57 0.8(8) . . . . ?
C53 C55 C56 C57 0.4(12) . . . . ?
C54 N5 C27 C26 75.6(5) . . . . ?
C54 N5 C27 C28 -103.6(5) . . . . ?
C54 N5 C46 C47 -156.7(4) . . . . ?
C54 N5 C46 C51 24.4(6) . . . . ?
C54 C53 C55 C56 0.9(10) . . . . ?
C55 C53 C54 N5 178.7(5) . . . . ?
C55 C53 C54 C58 -1.5(7) . . . . ?
C55 C56 C57 C58 -1.2(12) . . . . ?
C56 C57 C58 C54 0.6(10) . . . . ?
C59 C52 C53 C54 160.7(6) . . . . ?
C59 C52 C53 C55 -25.2(9) . . . . ?
C60 C52 C53 C54 -80.7(6) . . . . ?
C60 C52 C53 C55 93.4(7) . . . . ?
C62 N1 C66 C65 -1.8(6) . . . . ?
C62 C29 C30 Pt1 -7.8(5) . . . . ?
C62 C29 C30 C25 178.1(4) . . . . ?
C62 C63 C64 C65 -0.7(8) . . . . ?
C63 C64 C65 C66 0.3(8) . . . . ?
C64 C65 C66 N1 0.9(7) . . . . ?
C66 N1 C62 C29 -176.8(4) . . . . ?
C66 N1 C62 C63 1.4(6) . . . . ?
C67 N2 C71 C70 -4.2(6) . . . . ?
C67 C20 C21 C22 -175.0(4) . . . . ?
C67 C68 C69 C70 -0.4(7) . . . . ?
C68 C69 C70 C71 2.8(6) . . . . ?
C69 C70 C71 N2 -0.6(6) . . . . ?
C71 N2 C67 C20 -169.5(4) . . . . ?
C71 N2 C67 C68 6.7(6) . . . . ?
C73 C10 C11 C12 179.9(4) . . . . ?
C73 C10 C11 C77 57.8(5) . . . . ?
C73 C10 C11 C78 -60.1(5) . . . . ?
C73 C74 C75 C76 0.1(6) . . . . ?
C74 C75 C76 C9 -1.2(6) . . . . ?
C76 C9 C10 C11 179.4(4) . . . . ?
C76 C9 C10 C73 -2.0(6) . . . . ?
C77 C11 C12 C13 -57.3(5) . . . . ?
C77 C11 C12 C17 125.3(4) . . . . ?
C78 C11 C12 C13 62.1(5) . . . . ?
C78 C11 C12 C17 -115.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.749
_oxdiff_exptl_absorpt_empirical_full_min 0.760
