# Supplementary Information (SI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_2_amt1509
_database_code_depnum_ccdc_archive 'CCDC 2515149'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC   Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2025-12-11 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;
_audit_creation_date             2024-11-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_chemical_formula_moiety         'C40 H35 N6 Pt, F6 P'
_chemical_formula_sum            'C40 H35 F6 N6 P Pt'
_chemical_formula_weight         939.806
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
F 0.01756 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.27760 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
P 0.10265 0.09519 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Pt -1.60855 8.42207 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.68830 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   7.629(3)
_cell_length_b                   22.083(6)
_cell_length_c                   21.521(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.715(8)
_cell_angle_gamma                90
_cell_volume                     3593(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    505
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      16.17
_cell_measurement_theta_min      2.74
_exptl_absorpt_coefficient_mu    4.020
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0890 before and 0.0581 after correction.
The Ratio of minimum to maximum transmission is 0.8499.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_description       prism
_exptl_crystal_F_000             1852.927
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.9995
_diffrn_reflns_Laue_measured_fraction_max 0.9991
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            124786
_diffrn_reflns_point_group_measured_fraction_full 0.9995
_diffrn_reflns_point_group_measured_fraction_max 0.9991
_diffrn_reflns_theta_full        25.0000
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.08
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -10
_reflns_limit_k_max              29
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              -8
_reflns_number_gt                8364
_reflns_number_total             8918
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_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  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.4910
_refine_diff_density_min         -2.6088
_refine_diff_density_rms         0.2165
_refine_ls_d_res_high            0.7496
_refine_ls_d_res_low             9.8052
_refine_ls_goodness_of_fit_ref   0.9757
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    68
_refine_ls_number_parameters     513
_refine_ls_number_reflns         8918
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0547
_refine_ls_restrained_S_all      0.9757
_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0000P)²+65.8743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1201
_refine_ls_wR_factor_ref         0.1221
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C7(H7), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21), C36(H36), C37(H37), C38(H38), C39(H39),
  C40(H40), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C9(H9), C10(H10),
 C11(H11), C12(H12), C28(H28), C2(H2), C3(H3), C15(H15), N6(H6), N4(H4)
2.b Idealised Me refined as rotating group:
 C4(H4a,H4b,H4c)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
Pt1 Pt 0.53658(10) 0.30108(3) 0.37377(3) 0.0350(3) Uani 1.000000 .
N1 N 0.6294(7) 0.3979(2) 0.4594(2) 0.0255(11) Uani 1.000000 .
N2 N 0.8358(7) 0.3974(3) 0.3995(2) 0.0284(11) Uani 1.000000 .
N3 N 0.3813(8) 0.2251(3) 0.3463(3) 0.0334(13) Uani 1.000000 .
N4 N 0.2180(8) 0.2814(3) 0.2700(3) 0.0414(15) Uani 1.000000 .
H4 H 0.2592(8) 0.3146(3) 0.2892(3) 0.0496(18) Uiso 1.000000 R
N5 N 0.6761(8) 0.2735(3) 0.2993(3) 0.0290(12) Uani 1.000000 .
N6 N 0.5775(8) 0.3533(3) 0.2328(3) 0.0346(13) Uani 1.000000 .
H6 H 0.5415(8) 0.3736(3) 0.2639(3) 0.0415(16) Uiso 1.000000 R
C1 C 0.6860(8) 0.3695(3) 0.4094(3) 0.0229(12) Uani 1.000000 .
C2 C 0.8706(9) 0.4444(3) 0.4427(3) 0.0287(13) Uani 1.000000 .
H2 H 0.9675(9) 0.4717(3) 0.4452(3) 0.0344(16) Uiso 1.000000 R
C3 C 0.7437(9) 0.4443(3) 0.4800(3) 0.0268(13) Uani 1.000000 .
H3 H 0.7342(9) 0.4709(3) 0.5141(3) 0.0322(15) Uiso 1.000000 R
C4 C 0.9432(10) 0.3841(3) 0.3508(3) 0.0375(16) Uani 1.000000 .
H4a H 0.899(5) 0.407(2) 0.3129(9) 0.056(2) Uiso 1.000000 GR
H4b H 1.0661(17) 0.396(2) 0.3650(11) 0.056(2) Uiso 1.000000 GR
H4c H 0.937(6) 0.3407(5) 0.3414(19) 0.056(2) Uiso 1.000000 GR
C5 C 0.4732(8) 0.3764(3) 0.4797(3) 0.0253(12) Uani 1.000000 .
C6 C 0.4008(8) 0.3257(3) 0.4437(3) 0.0250(12) Uani 1.000000 .
C7 C 0.2459(9) 0.3029(3) 0.4587(3) 0.0303(13) Uani 1.000000 .
H7 H 0.1930(9) 0.2697(3) 0.4352(3) 0.0364(16) Uiso 1.000000 R
C8 C 0.1597(9) 0.3271(3) 0.5084(3) 0.0269(13) Uani 1.000000 .
C9 C -0.0024(9) 0.3037(3) 0.5237(3) 0.0328(14) Uani 1.000000 .
H9 H -0.0588(9) 0.2713(3) 0.4998(3) 0.0393(17) Uiso 1.000000 R
C10 C -0.0788(9) 0.3274(3) 0.5725(3) 0.0315(14) Uani 1.000000 .
H10 H -0.1877(9) 0.3113(3) 0.5820(3) 0.0379(17) Uiso 1.000000 R
C11 C 0.0022(10) 0.3750(3) 0.6085(3) 0.0344(15) Uani 1.000000 .
H11 H -0.0510(10) 0.3905(3) 0.6427(3) 0.0412(18) Uiso 1.000000 R
C12 C 0.1571(9) 0.3994(3) 0.5949(3) 0.0298(14) Uani 1.000000 .
H12 H 0.2101(9) 0.4321(3) 0.6194(3) 0.0358(16) Uiso 1.000000 R
C13 C 0.2400(9) 0.3762(3) 0.5441(3) 0.0264(13) Uani 1.000000 .
C14 C 0.4004(9) 0.4008(3) 0.5284(3) 0.0262(12) Uani 1.000000 .
H14 H 0.4560(9) 0.4338(3) 0.5516(3) 0.0314(15) Uiso 1.000000 R
C15 C 0.2628(10) 0.2296(4) 0.3001(4) 0.0388(17) Uani 1.000000 .
H15 H 0.2010(10) 0.1939(4) 0.2856(4) 0.047(2) Uiso 1.000000 R
C16 C 0.4260(10) 0.1669(3) 0.3755(4) 0.0357(16) Uani 1.000000 .
C17 C 0.4264(14) 0.1137(4) 0.3377(5) 0.055(2) Uani 1.000000 .
H17 H 0.3997(14) 0.1169(4) 0.2934(5) 0.066(3) Uiso 1.000000 R
C18 C 0.4648(15) 0.0584(4) 0.3646(5) 0.061(3) Uani 1.000000 .
H18 H 0.4550(15) 0.0232(4) 0.3390(5) 0.074(3) Uiso 1.000000 R
C19 C 0.5168(16) 0.0527(5) 0.4274(5) 0.070(3) Uani 1.000000 .
H19 H 0.5431(16) 0.0140(5) 0.4456(5) 0.084(4) Uiso 1.000000 R
C20 C 0.5306(15) 0.1051(4) 0.4645(4) 0.060(3) Uani 1.000000 .
H20 H 0.5736(15) 0.1028(4) 0.5080(4) 0.072(3) Uiso 1.000000 R
C21 C 0.4807(12) 0.1606(4) 0.4369(4) 0.050(2) Uani 1.000000 .
H21 H 0.4856(12) 0.1955(4) 0.4629(4) 0.061(3) Uiso 1.000000 R
C22 C 0.1145(10) 0.2896(4) 0.2120(4) 0.0400(17) Uani 1.000000 .
C23 C 0.0715(10) 0.2390(4) 0.1716(3) 0.0381(17) Uani 1.000000 .
H23 H 0.1103(10) 0.1992(4) 0.1833(3) 0.046(2) Uiso 1.000000 R
C24 C -0.0285(13) 0.2504(5) 0.1149(4) 0.053(2) Uani 1.000000 .
H24 H -0.0601(13) 0.2175(5) 0.0873(4) 0.063(3) Uiso 1.000000 R
C25 C -0.0848(12) 0.3076(5) 0.0966(4) 0.054(2) Uani 1.000000 .
H25 H -0.1541(12) 0.3139(5) 0.0570(4) 0.065(3) Uiso 1.000000 R
C26 C -0.0394(14) 0.3560(5) 0.1363(4) 0.055(2) Uani 1.000000 .
H26 H -0.0763(14) 0.3959(5) 0.1245(4) 0.067(3) Uiso 1.000000 R
C27 C 0.0616(11) 0.3450(4) 0.1940(4) 0.0430(18) Uani 1.000000 .
H27 H 0.0936(11) 0.3781(4) 0.2214(4) 0.052(2) Uiso 1.000000 R
C28 C 0.6598(9) 0.2999(3) 0.2449(3) 0.0331(14) Uani 1.000000 .
H28 H 0.7086(9) 0.2804(3) 0.2118(3) 0.0397(17) Uiso 1.000000 R
C29 C 0.7710(9) 0.2176(3) 0.3063(3) 0.0325(15) Uani 1.000000 .
C30 C 0.8623(12) 0.2032(5) 0.3618(4) 0.050(2) Uani 1.000000 .
H30 H 0.8601(12) 0.2310(5) 0.3954(4) 0.060(3) Uiso 1.000000 R
C31 C 0.9592(11) 0.1510(4) 0.3736(4) 0.0423(18) Uani 1.000000 .
H31 H 1.0262(11) 0.1440(4) 0.4135(4) 0.051(2) Uiso 1.000000 R
C32 C 0.9562(12) 0.1088(4) 0.3255(4) 0.0452(19) Uani 1.000000 .
H32 H 1.0219(12) 0.0723(4) 0.3319(4) 0.054(2) Uiso 1.000000 R
C33 C 0.8565(12) 0.1208(4) 0.2685(4) 0.0435(18) Uani 1.000000 .
H33 H 0.8514(12) 0.0917(4) 0.2357(4) 0.052(2) Uiso 1.000000 R
C34 C 0.7636(11) 0.1745(3) 0.2584(3) 0.0363(16) Uani 1.000000 .
H34 H 0.6951(11) 0.1822(3) 0.2190(3) 0.0435(19) Uiso 1.000000 R
C35 C 0.5474(13) 0.3778(4) 0.1717(4) 0.046(2) Uani 1.000000 .
C36 C 0.4819(14) 0.3410(4) 0.1219(4) 0.055(2) Uani 1.000000 .
H36 H 0.4542(14) 0.2998(4) 0.1287(4) 0.066(3) Uiso 1.000000 R
C37 C 0.457(2) 0.3652(5) 0.0618(5) 0.087(4) Uani 1.000000 .
H37 H 0.410(2) 0.3404(5) 0.0275(5) 0.104(5) Uiso 1.000000 R
C38 C 0.501(3) 0.4252(5) 0.0512(5) 0.126(7) Uani 1.000000 .
H38 H 0.488(3) 0.4412(5) 0.0098(5) 0.152(9) Uiso 1.000000 R
C39 C 0.563(2) 0.4608(5) 0.1018(5) 0.107(6) Uani 1.000000 .
H39 H 0.589(2) 0.5022(5) 0.0950(5) 0.128(7) Uiso 1.000000 R
C40 C 0.5882(16) 0.4381(4) 0.1625(4) 0.062(3) Uani 1.000000 .
H40 H 0.6324(16) 0.4632(4) 0.1969(4) 0.075(3) Uiso 1.000000 R
P1 P 0.3320(2) 0.49732(9) 0.31385(8) 0.0307(4) Uani 1.000000 .
F1 F 0.3147(6) 0.4251(2) 0.3016(2) 0.0463(11) Uani 1.000000 .
F2 F 0.3439(7) 0.5082(3) 0.2416(2) 0.0606(15) Uani 1.000000 .
F3 F 0.3505(7) 0.5684(2) 0.3265(3) 0.0518(12) Uani 1.000000 .
F4 F 0.3205(8) 0.4852(2) 0.3860(2) 0.0543(13) Uani 1.000000 .
F5 F 0.1220(6) 0.5036(2) 0.3003(3) 0.0531(13) Uani 1.000000 .
F6 F 0.5424(6) 0.4903(2) 0.3262(3) 0.0529(13) Uani 1.000000 .

loop_
_atom_site_anharm_GC_C_label
_atom_site_anharm_GC_C_111
_atom_site_anharm_GC_C_112
_atom_site_anharm_GC_C_113
_atom_site_anharm_GC_C_122
_atom_site_anharm_GC_C_123
_atom_site_anharm_GC_C_133
_atom_site_anharm_GC_C_222
_atom_site_anharm_GC_C_223
_atom_site_anharm_GC_C_233
_atom_site_anharm_GC_C_333
Pt1 -0.0000115(4) 0.00000263(7) -0.00000374(8) -0.00000073(2) 0.000000900(19)
-0.00000133(3) 0.000000312(14) -0.000000262(8) 0.000000338(8) -0.000000480(15)

loop_
_atom_site_anharm_GC_D_label
_atom_site_anharm_GC_D_1111
_atom_site_anharm_GC_D_1112
_atom_site_anharm_GC_D_1113
_atom_site_anharm_GC_D_1122
_atom_site_anharm_GC_D_1123
_atom_site_anharm_GC_D_1133
_atom_site_anharm_GC_D_1222
_atom_site_anharm_GC_D_1223
_atom_site_anharm_GC_D_1233
_atom_site_anharm_GC_D_1333
_atom_site_anharm_GC_D_2222
_atom_site_anharm_GC_D_2223
_atom_site_anharm_GC_D_2233
_atom_site_anharm_GC_D_2333
_atom_site_anharm_GC_D_3333
Pt1 0.00000053(4) 0.000000012(7) 0.000000055(7) 0.0000000084(16)
-0.0000000046(13) 0.0000000239(19) -0.0000000052(8) 0.0000000012(4)
-0.0000000027(5) 0.0000000094(8) 0.0000000054(5) -0.0000000010(3)
0.00000000124(19) -0.0000000013(3) 0.0000000053(6)


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 2.092(6) . ?
Pt1 N5 2.129(5) . ?
Pt1 C1 1.983(6) . ?
Pt1 C6 2.014(6) . ?
N1 C1 1.364(8) . ?
N1 C3 1.380(8) . ?
N1 C5 1.406(8) . ?
N2 C1 1.341(8) . ?
N2 C2 1.395(8) . ?
N2 C4 1.444(9) . ?
N3 C15 1.255(10) . ?
N3 C16 1.451(10) . ?
N4 H4 0.8800 . ?
N4 C15 1.336(10) . ?
N4 C22 1.396(10) . ?
N5 C28 1.298(9) . ?
N5 C29 1.428(9) . ?
N6 H6 0.8800 . ?
N6 C28 1.345(9) . ?
N6 C35 1.412(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.338(9) . ?
C3 H3 0.9500 . ?
C4 H4a 0.9800 . ?
C4 H4b 0.9800 . ?
C4 H4c 0.9800 . ?
C5 C6 1.429(8) . ?
C5 C14 1.361(8) . ?
C6 C7 1.362(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.432(8) . ?
C8 C9 1.419(9) . ?
C8 C13 1.419(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.400(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.366(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.431(8) . ?
C13 C14 1.420(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.430(11) . ?
C16 C21 1.338(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.368(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.361(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.402(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.429(11) . ?
C22 C27 1.329(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.372(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.375(14) . ?
C25 H25 0.9500 . ?
C25 C26 1.382(13) . ?
C26 H26 0.9500 . ?
C26 C27 1.392(12) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.337(11) . ?
C29 C34 1.400(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.375(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.390(11) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(12) . ?
C33 H33 0.9500 . ?
C33 C34 1.385(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(12) . ?
C35 C40 1.387(12) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(13) . ?
C37 H37 0.9500 . ?
C37 C38 1.394(17) . ?
C38 H38 0.9500 . ?
C38 C39 1.374(18) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(14) . ?
C40 H40 0.9500 . ?
P1 F1 1.619(5) . ?
P1 F2 1.589(5) . ?
P1 F3 1.597(5) . ?
P1 F4 1.589(5) . ?
P1 F5 1.595(5) . ?
P1 F6 1.599(5) . ?

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
N5 Pt1 N3 83.1(2) . . ?
C1 Pt1 N3 173.6(2) . . ?
C1 Pt1 N5 100.9(2) . . ?
C6 Pt1 N3 95.7(2) . . ?
C6 Pt1 N5 178.8(2) . . ?
C6 Pt1 C1 80.3(2) . . ?
C3 N1 C1 110.0(5) . . ?
C5 N1 C1 117.5(5) . . ?
C5 N1 C3 132.5(5) . . ?
C2 N2 C1 109.0(5) . . ?
C4 N2 C1 127.0(6) . . ?
C4 N2 C2 124.0(6) . . ?
C15 N3 Pt1 118.7(6) . . ?
C16 N3 Pt1 119.8(5) . . ?
C16 N3 C15 121.0(6) . . ?
C15 N4 H4 115.7(4) . . ?
C22 N4 H4 115.7(5) . . ?
C22 N4 C15 128.5(7) . . ?
C28 N5 Pt1 123.6(5) . . ?
C29 N5 Pt1 117.6(4) . . ?
C29 N5 C28 118.0(6) . . ?
C28 N6 H6 119.0(4) . . ?
C35 N6 H6 119.0(4) . . ?
C35 N6 C28 122.0(6) . . ?
N1 C1 Pt1 115.4(4) . . ?
N2 C1 Pt1 138.3(5) . . ?
N2 C1 N1 106.3(5) . . ?
H2 C2 N2 125.9(4) . . ?
C3 C2 N2 108.1(6) . . ?
C3 C2 H2 125.9(4) . . ?
C2 C3 N1 106.5(6) . . ?
H3 C3 N1 126.7(4) . . ?
H3 C3 C2 126.7(4) . . ?
H4a C4 N2 109.5 . . ?
H4b C4 N2 109.5 . . ?
H4b C4 H4a 109.5 . . ?
H4c C4 N2 109.5 . . ?
H4c C4 H4a 109.5 . . ?
H4c C4 H4b 109.5 . . ?
C6 C5 N1 112.2(5) . . ?
C14 C5 N1 123.8(6) . . ?
C14 C5 C6 124.0(6) . . ?
C5 C6 Pt1 114.6(4) . . ?
C7 C6 Pt1 128.8(5) . . ?
C7 C6 C5 116.5(6) . . ?
H7 C7 C6 118.7(4) . . ?
C8 C7 C6 122.6(6) . . ?
C8 C7 H7 118.7(4) . . ?
C9 C8 C7 122.7(6) . . ?
C13 C8 C7 118.7(6) . . ?
C13 C8 C9 118.6(6) . . ?
H9 C9 C8 119.6(4) . . ?
C10 C9 C8 120.8(7) . . ?
C10 C9 H9 119.6(4) . . ?
H10 C10 C9 119.7(4) . . ?
C11 C10 C9 120.6(7) . . ?
C11 C10 H10 119.7(4) . . ?
H11 C11 C10 119.7(4) . . ?
C12 C11 C10 120.5(6) . . ?
C12 C11 H11 119.7(4) . . ?
H12 C12 C11 119.8(4) . . ?
C13 C12 C11 120.4(7) . . ?
C13 C12 H12 119.8(4) . . ?
C12 C13 C8 119.0(6) . . ?
C14 C13 C8 119.2(6) . . ?
C14 C13 C12 121.8(6) . . ?
C13 C14 C5 119.0(6) . . ?
H14 C14 C5 120.5(4) . . ?
H14 C14 C13 120.5(4) . . ?
N4 C15 N3 124.2(7) . . ?
H15 C15 N3 117.9(5) . . ?
H15 C15 N4 117.9(4) . . ?
C17 C16 N3 120.0(7) . . ?
C21 C16 N3 123.0(7) . . ?
C21 C16 C17 116.9(8) . . ?
H17 C17 C16 119.7(5) . . ?
C18 C17 C16 120.6(9) . . ?
C18 C17 H17 119.7(6) . . ?
H18 C18 C17 119.3(6) . . ?
C19 C18 C17 121.3(10) . . ?
C19 C18 H18 119.3(6) . . ?
H19 C19 C18 120.7(6) . . ?
C20 C19 C18 118.6(10) . . ?
C20 C19 H19 120.7(6) . . ?
H20 C20 C19 120.4(6) . . ?
C21 C20 C19 119.2(9) . . ?
C21 C20 H20 120.4(5) . . ?
C20 C21 C16 123.0(8) . . ?
H21 C21 C16 118.5(5) . . ?
H21 C21 C20 118.5(5) . . ?
C23 C22 N4 119.9(8) . . ?
C27 C22 N4 119.6(7) . . ?
C27 C22 C23 120.4(8) . . ?
H23 C23 C22 121.6(5) . . ?
C24 C23 C22 116.8(8) . . ?
C24 C23 H23 121.6(6) . . ?
H24 C24 C23 118.7(6) . . ?
C25 C24 C23 122.7(9) . . ?
C25 C24 H24 118.7(5) . . ?
H25 C25 C24 120.4(5) . . ?
C26 C25 C24 119.3(9) . . ?
C26 C25 H25 120.4(6) . . ?
H26 C26 C25 120.7(6) . . ?
C27 C26 C25 118.7(9) . . ?
C27 C26 H26 120.7(6) . . ?
C26 C27 C22 122.1(8) . . ?
H27 C27 C22 119.0(5) . . ?
H27 C27 C26 119.0(6) . . ?
N6 C28 N5 123.6(6) . . ?
H28 C28 N5 118.2(4) . . ?
H28 C28 N6 118.2(4) . . ?
C30 C29 N5 119.8(7) . . ?
C34 C29 N5 122.6(7) . . ?
C34 C29 C30 117.4(7) . . ?
H30 C30 C29 117.7(5) . . ?
C31 C30 C29 124.6(8) . . ?
C31 C30 H30 117.7(5) . . ?
H31 C31 C30 121.0(5) . . ?
C32 C31 C30 118.0(8) . . ?
C32 C31 H31 121.0(5) . . ?
H32 C32 C31 120.4(5) . . ?
C33 C32 C31 119.1(8) . . ?
C33 C32 H32 120.4(5) . . ?
H33 C33 C32 119.6(5) . . ?
C34 C33 C32 120.8(7) . . ?
C34 C33 H33 119.6(5) . . ?
C33 C34 C29 119.9(7) . . ?
H34 C34 C29 120.1(5) . . ?
H34 C34 C33 120.1(5) . . ?
C36 C35 N6 119.5(8) . . ?
C40 C35 N6 119.2(8) . . ?
C40 C35 C36 121.2(8) . . ?
H36 C36 C35 120.5(5) . . ?
C37 C36 C35 119.0(10) . . ?
C37 C36 H36 120.5(7) . . ?
H37 C37 C36 119.5(7) . . ?
C38 C37 C36 120.9(11) . . ?
C38 C37 H37 119.5(7) . . ?
H38 C38 C37 120.7(7) . . ?
C39 C38 C37 118.5(11) . . ?
C39 C38 H38 120.7(7) . . ?
H39 C39 C38 119.0(7) . . ?
C40 C39 C38 122.0(11) . . ?
C40 C39 H39 119.0(7) . . ?
C39 C40 C35 118.3(10) . . ?
H40 C40 C35 120.8(5) . . ?
H40 C40 C39 120.8(7) . . ?
F2 P1 F1 90.3(3) . . ?
F3 P1 F1 179.4(3) . . ?
F3 P1 F2 90.2(3) . . ?
F4 P1 F1 88.8(3) . . ?
F4 P1 F2 179.0(3) . . ?
F4 P1 F3 90.8(3) . . ?
F5 P1 F1 89.9(3) . . ?
F5 P1 F2 89.7(3) . . ?
F5 P1 F3 90.5(3) . . ?
F5 P1 F4 90.5(3) . . ?
F6 P1 F1 89.4(3) . . ?
F6 P1 F2 89.4(3) . . ?
F6 P1 F3 90.1(3) . . ?
F6 P1 F4 90.4(3) . . ?
F6 P1 F5 178.9(3) . . ?

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 N3 C15 N4 -6.0(6) . . . . ?
Pt1 N3 C16 C17 -134.5(6) . . . . ?
Pt1 N3 C16 C21 40.4(6) . . . . ?
Pt1 N5 C28 N6 11.8(6) . . . . ?
Pt1 N5 C29 C30 -40.9(6) . . . . ?
Pt1 N5 C29 C34 134.7(5) . . . . ?
Pt1 C1 N1 C3 179.8(4) . . . . ?
Pt1 C1 N1 C5 -0.5(5) . . . . ?
Pt1 C1 N2 C2 -179.9(7) . . . . ?
Pt1 C1 N2 C4 2.6(9) . . . . ?
Pt1 C6 C5 N1 -1.5(5) . . . . ?
Pt1 C6 C5 C14 179.0(4) . . . . ?
Pt1 C6 C7 C8 -176.9(6) . . . . ?
N1 C1 N2 C2 -1.4(6) . . . . ?
N1 C1 N2 C4 -178.8(5) . . . . ?
N1 C3 C2 N2 -0.8(6) . . . . ?
N1 C5 C6 C7 -178.0(6) . . . . ?
N1 C5 C14 C13 178.7(6) . . . . ?
N3 C15 N4 C22 166.6(7) . . . . ?
N3 C16 C17 C18 -178.7(9) . . . . ?
N3 C16 C21 C20 -177.2(9) . . . . ?
N4 C22 C23 C24 -179.1(7) . . . . ?
N4 C22 C27 C26 178.9(7) . . . . ?
N5 C28 N6 C35 -173.8(7) . . . . ?
N5 C29 C30 C31 -179.4(7) . . . . ?
N5 C29 C34 C33 -179.0(7) . . . . ?
N6 C35 C36 C37 -178.2(10) . . . . ?
N6 C35 C40 C39 178.0(11) . . . . ?
C5 C6 C7 C8 -1.1(7) . . . . ?
C5 C14 C13 C8 -0.3(7) . . . . ?
C5 C14 C13 C12 179.6(6) . . . . ?
C6 C7 C8 C9 179.4(7) . . . . ?
C6 C7 C8 C13 -0.9(8) . . . . ?
C7 C8 C9 C10 178.7(7) . . . . ?
C7 C8 C13 C12 -178.3(6) . . . . ?
C7 C8 C13 C14 1.7(7) . . . . ?
C8 C9 C10 C11 -0.3(8) . . . . ?
C8 C13 C12 C11 -0.5(7) . . . . ?
C9 C10 C11 C12 1.2(8) . . . . ?
C10 C11 C12 C13 -0.7(8) . . . . ?
C11 C12 C13 C14 179.5(6) . . . . ?
C16 C17 C18 C19 -5.1(12) . . . . ?
C16 C21 C20 C19 -2.8(12) . . . . ?
C17 C18 C19 C20 -0.0(14) . . . . ?
C18 C19 C20 C21 3.9(14) . . . . ?
C22 C23 C24 C25 0.7(9) . . . . ?
C22 C27 C26 C25 -0.4(10) . . . . ?
C23 C24 C25 C26 0.1(11) . . . . ?
C24 C25 C26 C27 -0.3(10) . . . . ?
C29 C30 C31 C32 -3.0(11) . . . . ?
C29 C34 C33 C32 0.2(9) . . . . ?
C30 C31 C32 C33 -0.3(9) . . . . ?
C31 C32 C33 C34 1.5(9) . . . . ?
C35 C36 C37 C38 1.3(14) . . . . ?
C35 C40 C39 C38 -0.8(15) . . . . ?
C36 C37 C38 C39 -2.4(17) . . . . ?
C37 C38 C39 C40 2(2) . . . . ?


_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_3_AMT1469
_database_code_depnum_ccdc_archive 'CCDC 2515150'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC   Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2025-12-11 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            'IMD 243 CH2Cl2/MeOH'
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H44 N8 Pt2'
_chemical_formula_sum            'C54 H44 N8 Pt2'
_chemical_formula_weight         1195.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

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                   20.0080(7)
_cell_length_b                   16.3673(5)
_cell_length_c                   13.2383(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.5300(10)
_cell_angle_gamma                90
_cell_volume                     4287.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9965
_cell_measurement_theta_min      3.98
_cell_measurement_theta_max      28.31

_exptl_crystal_description       block
_exptl_crystal_colour            'translucent yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_F_000             2320
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    6.569
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.5354
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.3910
_diffrn_reflns_number            37687
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.058
_diffrn_reflns_theta_max         28.319
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5332
_reflns_number_gt                5051
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0036P)²+14.6174P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5332
_refine_ls_number_parameters     290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0171
_refine_ls_wR_factor_ref         0.0388
_refine_ls_wR_factor_gt          0.0379
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Pt Pt 0.48499(2) 0.31300(2) 0.14080(2) 0.01733(3) Uani 1 1 d . . . . .
N1 N 0.43404(9) 0.47530(11) 0.11740(14) 0.0199(3) Uani 1 1 d . . . . .
N2 N 0.34559(9) 0.40110(12) 0.11374(14) 0.0225(4) Uani 1 1 d . . . . .
N3 N 0.43028(9) 0.20670(11) 0.17277(14) 0.0204(3) Uani 1 1 d . . . . .
N4 N 0.43224(9) 0.23337(11) 0.34706(14) 0.0210(3) Uani 1 1 d . . . . .
C1 C 0.41324(11) 0.39599(13) 0.12187(16) 0.0197(4) Uani 1 1 d . . . . .
C2 C 0.37985(11) 0.52855(14) 0.10850(17) 0.0235(4) Uani 1 1 d . . . . .
H2 H 0.381631 0.586467 0.104925 0.028 Uiso 1 1 calc R U . . .
C3 C 0.32431(12) 0.48237(14) 0.10591(17) 0.0247(4) Uani 1 1 d . . . . .
H3 H 0.279025 0.501360 0.099877 0.030 Uiso 1 1 calc R U . . .
C4 C 0.29993(12) 0.33292(15) 0.1188(2) 0.0290(5) Uani 1 1 d . . . . .
H4A H 0.322588 0.282000 0.104645 0.043 Uiso 1 1 calc R U . . .
H4B H 0.259511 0.340425 0.067979 0.043 Uiso 1 1 calc R U . . .
H4C H 0.286847 0.330261 0.187184 0.043 Uiso 1 1 calc R U . . .
C5 C 0.50416(11) 0.48777(13) 0.12452(15) 0.0196(4) Uani 1 1 d . . . . .
C6 C 0.54041(11) 0.41269(12) 0.12644(15) 0.0196(4) Uani 1 1 d . . . . .
C7 C 0.60938(11) 0.41925(13) 0.13212(16) 0.0226(4) Uani 1 1 d . . . . .
H7 H 0.635420 0.370808 0.130983 0.027 Uiso 1 1 calc R U . . .
C8 C 0.64308(11) 0.49586(14) 0.13962(16) 0.0236(4) Uani 1 1 d . . . . .
C9 C 0.71415(12) 0.50176(17) 0.14711(18) 0.0302(5) Uani 1 1 d . . . . .
H9 H 0.740253 0.453547 0.144305 0.036 Uiso 1 1 calc R U . . .
C10 C 0.74602(13) 0.57643(18) 0.1584(2) 0.0361(6) Uani 1 1 d . . . . .
H10 H 0.793752 0.579464 0.162393 0.043 Uiso 1 1 calc R U . . .
C11 C 0.70830(14) 0.64802(17) 0.1641(2) 0.0350(6) Uani 1 1 d . . . . .
H11 H 0.730692 0.699230 0.173757 0.042 Uiso 1 1 calc R U . . .
C12 C 0.63913(14) 0.64445(15) 0.15570(18) 0.0303(5) Uani 1 1 d . . . . .
H12 H 0.613974 0.693307 0.159426 0.036 Uiso 1 1 calc R U . . .
C13 C 0.60494(12) 0.56861(14) 0.14157(16) 0.0235(4) Uani 1 1 d . . . . .
C14 C 0.53343(11) 0.56332(13) 0.13201(16) 0.0216(4) Uani 1 1 d . . . . .
H14 H 0.506556 0.611257 0.130848 0.026 Uiso 1 1 calc R U . . .
C15 C 0.41826(11) 0.14541(13) 0.09646(17) 0.0217(4) Uani 1 1 d . . . . .
C16 C 0.42832(12) 0.06247(14) 0.11774(18) 0.0259(4) Uani 1 1 d . . . . .
H16 H 0.443619 0.045100 0.185707 0.031 Uiso 1 1 calc R U . . .
C17 C 0.41596(14) 0.00505(15) 0.0395(2) 0.0343(5) Uani 1 1 d . . . . .
H17 H 0.422841 -0.051342 0.054555 0.041 Uiso 1 1 calc R U . . .
C18 C 0.39376(15) 0.02937(17) -0.0599(2) 0.0375(6) Uani 1 1 d . . . . .
H18 H 0.384643 -0.010128 -0.112771 0.045 Uiso 1 1 calc R U . . .
C19 C 0.38495(14) 0.11167(17) -0.0818(2) 0.0342(5) Uani 1 1 d . . . . .
H19 H 0.370555 0.128778 -0.150140 0.041 Uiso 1 1 calc R U . . .
C20 C 0.39704(13) 0.16936(15) -0.00446(18) 0.0280(5) Uani 1 1 d . . . . .
H20 H 0.390811 0.225709 -0.020304 0.034 Uiso 1 1 calc R U . . .
C21 C 0.41413(11) 0.18982(12) 0.26329(17) 0.0200(4) Uani 1 1 d . . . . .
H21 H 0.387323 0.142597 0.268936 0.024 Uiso 1 1 calc R U . . .
C22 C 0.39931(12) 0.21702(13) 0.43255(17) 0.0231(4) Uani 1 1 d . . . . .
C23 C 0.43345(13) 0.23364(14) 0.53076(18) 0.0279(5) Uani 1 1 d . . . . .
H23 H 0.478401 0.253967 0.538821 0.034 Uiso 1 1 calc R U . . .
C24 C 0.40241(15) 0.22076(16) 0.61580(19) 0.0339(5) Uani 1 1 d . . . . .
H24 H 0.426222 0.232567 0.681715 0.041 Uiso 1 1 calc R U . . .
C25 C 0.33674(15) 0.19074(16) 0.6063(2) 0.0348(6) Uani 1 1 d . . . . .
H25 H 0.315552 0.182132 0.665055 0.042 Uiso 1 1 calc R U . . .
C26 C 0.30278(14) 0.17363(16) 0.5097(2) 0.0325(5) Uani 1 1 d . . . . .
H26 H 0.258267 0.151999 0.502424 0.039 Uiso 1 1 calc R U . . .
C27 C 0.33311(12) 0.18775(14) 0.42315(19) 0.0269(5) Uani 1 1 d . . . . .
H27 H 0.308587 0.177409 0.357295 0.032 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
Pt C1 1.965(2) . ?
Pt C6 1.998(2) . ?
Pt N4 2.0946(18) 2_655 ?
Pt N3 2.1311(17) . ?
Pt Pt 2.86457(17) 2_655 ?
N1 C1 1.367(3) . ?
N1 C2 1.383(3) . ?
N1 C5 1.407(3) . ?
N2 C1 1.344(3) . ?
N2 C3 1.396(3) . ?
N2 C4 1.450(3) . ?
N3 C21 1.316(3) . ?
N3 C15 1.419(3) . ?
N4 C21 1.323(3) . ?
N4 C22 1.417(3) . ?
C2 C3 1.340(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C14 1.365(3) . ?
C5 C6 1.425(3) . ?
C6 C7 1.375(3) . ?
C7 C8 1.420(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.414(3) . ?
C8 C13 1.417(3) . ?
C9 C10 1.376(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.402(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.373(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.416(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.420(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(3) . ?
C15 C20 1.397(3) . ?
C16 C17 1.393(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.387(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.397(3) . ?
C22 C23 1.403(3) . ?
C23 C24 1.380(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?

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
C1 Pt C6 80.13(9) . . ?
C1 Pt N4 173.76(8) . 2_655 ?
C6 Pt N4 94.12(8) . 2_655 ?
C1 Pt N3 101.69(8) . . ?
C6 Pt N3 173.95(8) . . ?
N4 Pt N3 84.28(7) 2_655 . ?
C1 Pt Pt 99.70(6) . 2_655 ?
C6 Pt Pt 93.43(6) . 2_655 ?
N4 Pt Pt 82.96(5) 2_655 2_655 ?
N3 Pt Pt 80.59(5) . 2_655 ?
C1 N1 C2 111.25(18) . . ?
C1 N1 C5 116.22(18) . . ?
C2 N1 C5 132.52(18) . . ?
C1 N2 C3 110.95(18) . . ?
C1 N2 C4 125.60(19) . . ?
C3 N2 C4 123.34(19) . . ?
C21 N3 C15 117.47(18) . . ?
C21 N3 Pt 123.71(14) . . ?
C15 N3 Pt 118.27(14) . . ?
C21 N4 C22 117.76(18) . . ?
C21 N4 Pt 120.98(15) . 2_655 ?
C22 N4 Pt 120.81(15) . 2_655 ?
N2 C1 N1 104.29(18) . . ?
N2 C1 Pt 139.55(16) . . ?
N1 C1 Pt 116.14(15) . . ?
C3 C2 N1 106.47(19) . . ?
C3 C2 H2 126.8 . . ?
N1 C2 H2 126.8 . . ?
C2 C3 N2 107.04(19) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C14 C5 N1 123.3(2) . . ?
C14 C5 C6 124.6(2) . . ?
N1 C5 C6 112.08(18) . . ?
C7 C6 C5 115.95(19) . . ?
C7 C6 Pt 128.70(16) . . ?
C5 C6 Pt 114.69(15) . . ?
C6 C7 C8 122.3(2) . . ?
C6 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
C9 C8 C13 118.7(2) . . ?
C9 C8 C7 121.8(2) . . ?
C13 C8 C7 119.5(2) . . ?
C10 C9 C8 120.9(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.3(2) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 120.3(2) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.6(2) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C8 119.2(2) . . ?
C12 C13 C14 121.7(2) . . ?
C8 C13 C14 119.03(19) . . ?
C5 C14 C13 118.5(2) . . ?
C5 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C16 C15 C20 118.7(2) . . ?
C16 C15 N3 122.7(2) . . ?
C20 C15 N3 118.6(2) . . ?
C17 C16 C15 120.1(2) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 120.6(2) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 119.5(2) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 120.4(2) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C15 120.7(2) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
N3 C21 N4 125.20(19) . . ?
N3 C21 H21 117.4 . . ?
N4 C21 H21 117.4 . . ?
C27 C22 C23 118.3(2) . . ?
C27 C22 N4 122.7(2) . . ?
C23 C22 N4 118.9(2) . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 120.9(2) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C24 118.9(2) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C25 C26 C27 120.8(2) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C26 C27 C22 120.4(2) . . ?
C26 C27 H27 119.8 . . ?
C22 C27 H27 119.8 . . ?

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
C3 N2 C1 N1 -0.9(2) . . . . ?
C4 N2 C1 N1 -177.2(2) . . . . ?
C3 N2 C1 Pt 176.94(19) . . . . ?
C4 N2 C1 Pt 0.7(4) . . . . ?
C2 N1 C1 N2 1.1(2) . . . . ?
C5 N1 C1 N2 179.86(17) . . . . ?
C2 N1 C1 Pt -177.37(14) . . . . ?
C5 N1 C1 Pt 1.4(2) . . . . ?
C1 N1 C2 C3 -0.8(2) . . . . ?
C5 N1 C2 C3 -179.4(2) . . . . ?
N1 C2 C3 N2 0.2(2) . . . . ?
C1 N2 C3 C2 0.4(3) . . . . ?
C4 N2 C3 C2 176.8(2) . . . . ?
C1 N1 C5 C14 -172.9(2) . . . . ?
C2 N1 C5 C14 5.5(4) . . . . ?
C1 N1 C5 C6 5.1(3) . . . . ?
C2 N1 C5 C6 -176.5(2) . . . . ?
C14 C5 C6 C7 -2.7(3) . . . . ?
N1 C5 C6 C7 179.27(18) . . . . ?
C14 C5 C6 Pt 168.82(17) . . . . ?
N1 C5 C6 Pt -9.2(2) . . . . ?
C5 C6 C7 C8 2.3(3) . . . . ?
Pt C6 C7 C8 -167.82(16) . . . . ?
C6 C7 C8 C9 178.9(2) . . . . ?
C6 C7 C8 C13 0.1(3) . . . . ?
C13 C8 C9 C10 1.5(3) . . . . ?
C7 C8 C9 C10 -177.4(2) . . . . ?
C8 C9 C10 C11 0.9(4) . . . . ?
C9 C10 C11 C12 -1.7(4) . . . . ?
C10 C11 C12 C13 0.2(4) . . . . ?
C11 C12 C13 C8 2.1(3) . . . . ?
C11 C12 C13 C14 -179.6(2) . . . . ?
C9 C8 C13 C12 -2.9(3) . . . . ?
C7 C8 C13 C12 175.9(2) . . . . ?
C9 C8 C13 C14 178.7(2) . . . . ?
C7 C8 C13 C14 -2.4(3) . . . . ?
N1 C5 C14 C13 178.33(19) . . . . ?
C6 C5 C14 C13 0.6(3) . . . . ?
C12 C13 C14 C5 -176.2(2) . . . . ?
C8 C13 C14 C5 2.1(3) . . . . ?
C21 N3 C15 C16 -37.8(3) . . . . ?
Pt N3 C15 C16 134.09(19) . . . . ?
C21 N3 C15 C20 143.8(2) . . . . ?
Pt N3 C15 C20 -44.3(3) . . . . ?
C20 C15 C16 C17 -1.3(3) . . . . ?
N3 C15 C16 C17 -179.7(2) . . . . ?
C15 C16 C17 C18 0.1(4) . . . . ?
C16 C17 C18 C19 1.1(4) . . . . ?
C17 C18 C19 C20 -1.2(4) . . . . ?
C18 C19 C20 C15 0.0(4) . . . . ?
C16 C15 C20 C19 1.2(4) . . . . ?
N3 C15 C20 C19 179.7(2) . . . . ?
C15 N3 C21 N4 167.7(2) . . . . ?
Pt N3 C21 N4 -3.7(3) . . . . ?
C22 N4 C21 N3 167.0(2) . . . . ?
Pt N4 C21 N3 -20.6(3) 2_655 . . . ?
C21 N4 C22 C27 -29.2(3) . . . . ?
Pt N4 C22 C27 158.42(17) 2_655 . . . ?
C21 N4 C22 C23 153.2(2) . . . . ?
Pt N4 C22 C23 -19.2(3) 2_655 . . . ?
C27 C22 C23 C24 0.5(4) . . . . ?
N4 C22 C23 C24 178.1(2) . . . . ?
C22 C23 C24 C25 0.3(4) . . . . ?
C23 C24 C25 C26 0.2(4) . . . . ?
C24 C25 C26 C27 -1.3(4) . . . . ?
C25 C26 C27 C22 2.1(4) . . . . ?
C23 C22 C27 C26 -1.6(3) . . . . ?
N4 C22 C27 C26 -179.2(2) . . . . ?

_refine_diff_density_max         1.065
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.085


####################################################################### 
# 
# 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_4Cl_amt1539
_database_code_depnum_ccdc_archive 'CCDC 2515151'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC   Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2025-12-11 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_4Cl_amt1539         
;
PROBLEM: Missing FCF Reflection(s) Below Theta(Min)[Deg]=       2.04 Note
RESPONSE: This is more likely caused by the beam stop shadow
;
_vrf_PLAT971_4Cl_amt1539         
;
PROBLEM: Check Calcd Resid. Dens.  0.79Ang From Pt2A            3.02 eA-3
RESPONSE: It is most likely an uncorrected absorption caused by a crystal of poor quality
;
# Added during the CSD deposition process: Thursday 11 December 2025 10:09 AM
# end Validation Reply Form

_audit_creation_date             2024-12-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H44 Cl2 N8 Pt2, 3[CH2Cl2]'
_chemical_formula_sum            'C57 H50 Cl8 N8 Pt2'
_chemical_formula_weight         1520.83
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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                   13.652(2)
_cell_length_b                   17.859(5)
_cell_length_c                   24.775(6)
_cell_angle_alpha                106.249(5)
_cell_angle_beta                 104.523(8)
_cell_angle_gamma                95.973(5)
_cell_volume                     5514(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1580
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      21.10
_cell_measurement_theta_min      2.51
_shelx_estimated_absorpt_T_max   0.637
_shelx_estimated_absorpt_T_min   0.249
_exptl_absorpt_coefficient_mu    5.503
_exptl_absorpt_correction_T_max  0.0962
_exptl_absorpt_correction_T_min  0.0579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0820 before and 0.0671 after correction.
The Ratio of minimum to maximum transmission is 0.6019.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            259708
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.434
_diffrn_reflns_theta_min         2.037
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21359
_reflns_number_total             27554
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.201
_refine_diff_density_min         -2.048
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1163
_refine_ls_number_reflns         27554
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0468
_refine_ls_restrained_S_all      1.042
_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)+(0.0601P)²+34.0233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1348
_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. Uiso/Uaniso restraints and constraints
Uanis(C23B) \\sim Ueq, Uanis(C24B) \\sim Ueq, Uanis(C25B) \\sim Ueq,
Uanis(C26B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.005
Uanis(C36B) = Uanis(C41B) = Uanis(C40B) = Uanis(C39B) = Uanis(C38B) =
Uanis(C37B)
Uanis(C36C) = Uanis(C41C) = Uanis(C40C) = Uanis(C39C) = Uanis(C38C) =
Uanis(C37C)
3. Others
 Fixed Sof: C36B(0.5) C37B(0.5) H37B(0.5) C38B(0.5) H38B(0.5) C39B(0.5)
 H39B(0.5) C40B(0.5) H40B(0.5) C41B(0.5) H41B(0.5) C36C(0.5) C37C(0.5)
 H37C(0.5) C38C(0.5) H38C(0.5) C39C(0.5) H39C(0.5) C40C(0.5) H40C(0.5)
 C41C(0.5) H41C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C7A(H7A), C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A),
 C14A(H14A), C16A(H16A), C17A(H17A), C21A(H21A), C23A(H23A), C25A(H25A),
 C26A(H26A), C28A(H28A), C29A(H29A), C31A(H31A), C32A(H32A), C33A(H33A),
 C34A(H34A), C35A(H35A), C37A(H37A), C38A(H38A), C39A(H39A), C40A(H40A),
 C41A(H41A), C42A(H42A), C44A(H44A), C45A(H45A), C46A(H46A), C47A(H47A),
 C48A(H48A), C50A(H50A), C51A(H51A), C52A(H52A), C53A(H53A), C54A(H54A),
 C999(H999), C2B(H2B), C3B(H3B), C8B(H8B), C9B(H9B), C10B(H10B), C11B(H11B),
 C13B(H13B), C14B(H14B), C16B(H16B), C17B(H17B), C21B(H21B), C23B(H23B),
 C24B(H24B), C25B(H25B), C26B(H26B), C28B(H28B), C29B(H29B), C31B(H31B),
 C32B(H32B), C33B(H33B), C34B(H34B), C35B(H35B), C37B(H37B), C38B(H38B),
 C39B(H39B), C40B(H40B), C41B(H41B), C37C(H37C), C38C(H38C), C39C(H39C),
 C40C(H40C), C41C(H41C), C42B(H42B), C44B(H44B), C45B(H45B), C46B(H46B),
 C47B(H47B), C48B(H48B), C50B(H50B), C51B(H51B), C52B(H52B), C53B(H53B),
 C54B(H54B)
4.b Fitted hexagon refined as free rotating group:
 C36B(C37B,C38B,C39B,C40B,C41B), C36C(C37C,C38C,C39C,C40C,C41C)
4.c Idealised Me refined as rotating group:
 C4A(H4AA,H4AB,H4AC), C18A(H18D,H18E,H18F), C4B(H4BA,H4BB,H4BC), C18B(H18A,
 H18B,H18C)
;
_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
Pt1A Pt 0.67423(2) 0.86832(2) 0.57784(2) 0.02798(6) Uani 1 1 d . . . . .
Pt2A Pt 0.82786(2) 0.82204(2) 0.54128(2) 0.02809(6) Uani 1 1 d . . . . .
Cl1A Cl 0.52283(14) 0.90796(12) 0.60592(9) 0.0451(4) Uani 1 1 d . . . . .
Cl2A Cl 0.97321(13) 0.78359(11) 0.50681(8) 0.0383(4) Uani 1 1 d . . . . .
N1A N 0.6544(4) 0.9900(3) 0.5242(2) 0.0281(11) Uani 1 1 d . . . . .
N2A N 0.7408(4) 1.0534(3) 0.6141(2) 0.0286(11) Uani 1 1 d . . . . .
N3A N 0.8342(4) 0.9378(3) 0.4822(2) 0.0274(10) Uani 1 1 d . . . . .
N4A N 0.7547(4) 0.8301(3) 0.4134(2) 0.0327(12) Uani 1 1 d . . . . .
N5A N 0.7720(5) 0.8777(3) 0.6644(2) 0.0338(12) Uani 1 1 d . . . . .
N6A N 0.8703(4) 0.7952(3) 0.6193(2) 0.0326(12) Uani 1 1 d . . . . .
N7A N 0.6313(5) 0.7500(3) 0.5698(3) 0.0344(12) Uani 1 1 d . . . . .
N8A N 0.7313(5) 0.7044(3) 0.5085(2) 0.0332(12) Uani 1 1 d . . . . .
C1A C 0.7004(5) 0.9794(4) 0.5765(3) 0.0268(12) Uani 1 1 d . . . . .
C2A C 0.7214(5) 1.1087(4) 0.5851(3) 0.0319(13) Uani 1 1 d . . . . .
H2A H 0.742413 1.164684 0.602057 0.038 Uiso 1 1 calc R U . . .
C3A C 0.6679(5) 1.0698(4) 0.5290(3) 0.0323(13) Uani 1 1 d . . . . .
H3A H 0.644163 1.092237 0.498755 0.039 Uiso 1 1 calc R U . . .
C4A C 0.7921(5) 1.0732(4) 0.6761(3) 0.0333(14) Uani 1 1 d . . . . .
H4AA H 0.740829 1.068601 0.697066 0.050 Uiso 1 1 calc R U . . .
H4AB H 0.831027 1.127755 0.691124 0.050 Uiso 1 1 calc R U . . .
H4AC H 0.839431 1.036643 0.682315 0.050 Uiso 1 1 calc R U . . .
C5A C 0.5956(5) 0.9225(4) 0.4772(3) 0.0311(13) Uani 1 1 d . . . . .
C6A C 0.5896(5) 0.8522(4) 0.4943(3) 0.0297(13) Uani 1 1 d . . . . .
C7A C 0.5276(5) 0.7845(4) 0.4530(3) 0.0352(14) Uani 1 1 d . . . . .
H7A H 0.519489 0.737109 0.463039 0.042 Uiso 1 1 calc R U . . .
C8A C 0.4754(5) 0.7839(4) 0.3956(3) 0.0371(15) Uani 1 1 d . . . . .
C9A C 0.4114(6) 0.7132(5) 0.3526(3) 0.0456(18) Uani 1 1 d . . . . .
H9A H 0.402048 0.665981 0.362809 0.055 Uiso 1 1 calc R U . . .
C10A C 0.3647(6) 0.7129(5) 0.2982(4) 0.0467(18) Uani 1 1 d . . . . .
H10A H 0.321330 0.665696 0.270499 0.056 Uiso 1 1 calc R U . . .
C11A C 0.3789(6) 0.7824(5) 0.2810(3) 0.0469(19) Uani 1 1 d . . . . .
H11A H 0.347124 0.780827 0.241829 0.056 Uiso 1 1 calc R U . . .
C12A C 0.4391(5) 0.8516(5) 0.3219(3) 0.0408(16) Uani 1 1 d . . . . .
H12A H 0.447310 0.898634 0.311418 0.049 Uiso 1 1 calc R U . . .
C13A C 0.4885(5) 0.8524(4) 0.3794(3) 0.0365(15) Uani 1 1 d . . . . .
C14A C 0.5495(5) 0.9233(4) 0.4223(3) 0.0331(14) Uani 1 1 d . . . . .
H14A H 0.557994 0.970893 0.412534 0.040 Uiso 1 1 calc R U . . .
C15A C 0.7974(5) 0.8605(4) 0.4721(3) 0.0302(13) Uani 1 1 d . . . . .
C16A C 0.7628(5) 0.8888(4) 0.3876(3) 0.0338(14) Uani 1 1 d . . . . .
H16A H 0.737913 0.882291 0.346870 0.041 Uiso 1 1 calc R U . . .
C17A C 0.8123(5) 0.9570(4) 0.4305(3) 0.0334(14) Uani 1 1 d . . . . .
H17A H 0.828780 1.007682 0.426290 0.040 Uiso 1 1 calc R U . . .
C18A C 0.7172(6) 0.7461(4) 0.3820(3) 0.0417(16) Uani 1 1 d . . . . .
H18D H 0.755752 0.715041 0.403660 0.063 Uiso 1 1 calc R U . . .
H18E H 0.726700 0.733835 0.342711 0.063 Uiso 1 1 calc R U . . .
H18F H 0.643836 0.732808 0.378277 0.063 Uiso 1 1 calc R U . . .
C19A C 0.8952(5) 0.9818(4) 0.5402(3) 0.0293(13) Uani 1 1 d . . . . .
C20A C 0.9103(5) 0.9347(4) 0.5776(3) 0.0293(13) Uani 1 1 d . . . . .
C21A C 0.9750(5) 0.9696(4) 0.6332(3) 0.0309(13) Uani 1 1 d . . . . .
H21A H 0.990578 0.938446 0.658557 0.037 Uiso 1 1 calc R U . . .
C22A C 1.0192(5) 1.0508(4) 0.6536(3) 0.0320(13) Uani 1 1 d . . . . .
C23A C 1.0839(5) 1.0893(4) 0.7129(3) 0.0373(15) Uani 1 1 d . . . . .
H23A H 1.101564 1.058493 0.738384 0.045 Uiso 1 1 calc R U . . .
C25A C 1.0965(6) 1.2149(4) 0.6964(3) 0.0372(15) Uani 1 1 d . . . . .
H25A H 1.122410 1.270439 0.711071 0.045 Uiso 1 1 calc R U . . .
C26A C 1.0363(5) 1.1810(4) 0.6396(3) 0.0352(14) Uani 1 1 d . . . . .
H26A H 1.020357 1.213371 0.615167 0.042 Uiso 1 1 calc R U . . .
C27A C 0.9974(5) 1.0982(4) 0.6165(3) 0.0311(13) Uani 1 1 d . . . . .
C28A C 0.9368(5) 1.0610(4) 0.5576(3) 0.0305(13) Uani 1 1 d . . . . .
H28A H 0.925056 1.090241 0.530641 0.037 Uiso 1 1 calc R U . . .
C29A C 0.8397(5) 0.8304(4) 0.6645(3) 0.0342(14) Uani 1 1 d . . . . .
H29A H 0.868815 0.820825 0.700475 0.041 Uiso 1 1 calc R U . . .
C30A C 0.7680(6) 0.9192(4) 0.7212(3) 0.0376(15) Uani 1 1 d . . . . .
C31A C 0.8601(6) 0.9576(4) 0.7658(3) 0.0390(15) Uani 1 1 d . . . . .
H31A H 0.923751 0.955256 0.756998 0.047 Uiso 1 1 calc R U . . .
C32A C 0.8608(8) 0.9986(5) 0.8218(4) 0.053(2) Uani 1 1 d . . . . .
H32A H 0.924103 1.022737 0.851603 0.063 Uiso 1 1 calc R U . . .
C33A C 0.7685(9) 1.0042(6) 0.8343(4) 0.067(3) Uani 1 1 d . . . . .
H33A H 0.767612 1.031932 0.872917 0.081 Uiso 1 1 calc R U . . .
C34A C 0.6779(9) 0.9695(6) 0.7906(4) 0.070(3) Uani 1 1 d . . . . .
H34A H 0.614142 0.975828 0.798597 0.084 Uiso 1 1 calc R U . . .
C35A C 0.6782(8) 0.9254(5) 0.7350(4) 0.056(2) Uani 1 1 d . . . . .
H35A H 0.614679 0.898946 0.706071 0.067 Uiso 1 1 calc R U . . .
C36A C 0.9268(6) 0.7332(4) 0.6256(3) 0.0367(15) Uani 1 1 d . . . . .
C37A C 0.8761(7) 0.6624(5) 0.6278(3) 0.0477(19) Uani 1 1 d . . . . .
H37A H 0.804084 0.654717 0.622933 0.057 Uiso 1 1 calc R U . . .
C38A C 0.9310(8) 0.6029(5) 0.6370(4) 0.053(2) Uani 1 1 d . . . . .
H38A H 0.896551 0.554899 0.638674 0.063 Uiso 1 1 calc R U . . .
C39A C 1.0326(8) 0.6142(6) 0.6436(4) 0.056(2) Uani 1 1 d . . . . .
H39A H 1.070158 0.574225 0.650623 0.067 Uiso 1 1 calc R U . . .
C40A C 1.0829(8) 0.6824(8) 0.6403(5) 0.077(3) Uani 1 1 d . . . . .
H40A H 1.154326 0.688107 0.643720 0.092 Uiso 1 1 calc R U . . .
C41A C 1.0312(7) 0.7443(6) 0.6320(4) 0.052(2) Uani 1 1 d . . . . .
H41A H 1.066899 0.792120 0.630904 0.062 Uiso 1 1 calc R U . . .
C42A C 0.6616(6) 0.6940(4) 0.5347(3) 0.0372(15) Uani 1 1 d . . . . .
H42A H 0.629947 0.640879 0.527639 0.045 Uiso 1 1 calc R U . . .
C43A C 0.5647(6) 0.7281(4) 0.6019(3) 0.0381(15) Uani 1 1 d . . . . .
C44A C 0.6077(8) 0.7146(6) 0.6542(4) 0.062(2) Uani 1 1 d . . . . .
H44A H 0.679753 0.716433 0.667585 0.074 Uiso 1 1 calc R U . . .
C45A C 0.5430(9) 0.6980(6) 0.6879(4) 0.063(3) Uani 1 1 d . . . . .
H45A H 0.572088 0.688860 0.724003 0.076 Uiso 1 1 calc R U . . .
C46A C 0.4404(8) 0.6949(5) 0.6690(4) 0.059(2) Uani 1 1 d . . . . .
H46A H 0.397436 0.682411 0.691245 0.071 Uiso 1 1 calc R U . . .
C47A C 0.3983(8) 0.7100(8) 0.6176(5) 0.078(3) Uani 1 1 d . . . . .
H47A H 0.326237 0.708439 0.604743 0.094 Uiso 1 1 calc R U . . .
C48A C 0.4587(7) 0.7271(6) 0.5844(4) 0.060(2) Uani 1 1 d . . . . .
H48A H 0.428488 0.738439 0.549325 0.072 Uiso 1 1 calc R U . . .
C49A C 0.7389(6) 0.6328(4) 0.4674(3) 0.0393(16) Uani 1 1 d . . . . .
C50A C 0.6556(7) 0.5865(4) 0.4230(3) 0.0447(17) Uani 1 1 d . . . . .
H50A H 0.590729 0.602725 0.419069 0.054 Uiso 1 1 calc R U . . .
C51A C 0.6624(7) 0.5170(4) 0.3839(4) 0.0482(19) Uani 1 1 d . . . . .
H51A H 0.603802 0.487596 0.352094 0.058 Uiso 1 1 calc R U . . .
C52A C 0.7538(7) 0.4899(5) 0.3907(4) 0.053(2) Uani 1 1 d . . . . .
H52A H 0.757655 0.440569 0.364728 0.064 Uiso 1 1 calc R U . . .
C53A C 0.8414(7) 0.5353(4) 0.4359(4) 0.0460(18) Uani 1 1 d . . . . .
H53A H 0.905139 0.517287 0.440197 0.055 Uiso 1 1 calc R U . . .
C54A C 0.8350(6) 0.6071(4) 0.4748(3) 0.0405(16) Uani 1 1 d . . . . .
H54A H 0.893991 0.638221 0.505702 0.049 Uiso 1 1 calc R U . . .
C999 C 1.1201(6) 1.1686(5) 0.7331(3) 0.0406(16) Uani 1 1 d . . . . .
H999 H 1.161942 1.192954 0.772647 0.049 Uiso 1 1 calc R U . . .
Pt1B Pt 0.12352(2) 0.59572(2) 0.89678(2) 0.02969(6) Uani 1 1 d . . . . .
Pt2B Pt 0.32348(2) 0.63911(2) 0.92767(2) 0.04074(8) Uani 1 1 d . . . . .
Cl1B Cl -0.06450(13) 0.56863(11) 0.87599(7) 0.0384(4) Uani 1 1 d . . . . .
Cl2B Cl 0.51325(16) 0.67171(14) 0.95835(13) 0.0669(7) Uani 1 1 d . . . . .
N1B N 0.1267(4) 0.4942(3) 0.9676(2) 0.0273(10) Uani 1 1 d . . . . .
N2B N 0.1199(4) 0.4140(3) 0.8836(2) 0.0285(11) Uani 1 1 d . . . . .
N3B N 0.3583(5) 0.5403(4) 1.0007(3) 0.0466(15) Uani 1 1 d . . . . .
N4B N 0.3634(5) 0.6547(4) 1.0605(3) 0.0427(14) Uani 1 1 d . . . . .
N5B N 0.1371(5) 0.5622(3) 0.8077(3) 0.0393(14) Uani 1 1 d . . . . .
N6B N 0.2962(6) 0.6480(4) 0.8437(3) 0.055(2) Uani 1 1 d . . . . .
N7B N 0.1227(6) 0.7109(3) 0.8929(3) 0.0426(15) Uani 1 1 d . . . . .
N8B N 0.2922(5) 0.7580(4) 0.9520(3) 0.0435(15) Uani 1 1 d . . . . .
C1B C 0.1247(5) 0.4921(4) 0.9125(3) 0.0265(12) Uani 1 1 d . . . . .
C2B C 0.1213(5) 0.3703(4) 0.9210(3) 0.0323(13) Uani 1 1 d . . . . .
H2B H 0.119903 0.314795 0.911323 0.039 Uiso 1 1 calc R U . . .
C3B C 0.1250(5) 0.4206(4) 0.9748(3) 0.0296(13) Uani 1 1 d . . . . .
H3B H 0.126135 0.407496 1.009547 0.036 Uiso 1 1 calc R U . . .
C4B C 0.1140(5) 0.3788(4) 0.8227(3) 0.0329(14) Uani 1 1 d . . . . .
H4BA H 0.046591 0.380306 0.797755 0.049 Uiso 1 1 calc R U . . .
H4BB H 0.123204 0.323497 0.815709 0.049 Uiso 1 1 calc R U . . .
H4BC H 0.168355 0.408457 0.813271 0.049 Uiso 1 1 calc R U . . .
C5B C 0.1261(5) 0.5681(4) 1.0074(3) 0.0293(13) Uani 1 1 d . . . . .
C6B C 0.1203(5) 0.6295(4) 0.9811(3) 0.0312(13) Uani 1 1 d . . . . .
C7B C 0.1099(5) 0.7146(4) 1.0749(3) 0.0322(13) Uani 1 1 d . . . . .
C8B C 0.0997(5) 0.7885(4) 1.1103(3) 0.0354(14) Uani 1 1 d . . . . .
H8B H 0.093034 0.831044 1.094480 0.042 Uiso 1 1 calc R U . . .
C9B C 0.0992(6) 0.8001(4) 1.1674(3) 0.0403(16) Uani 1 1 d . . . . .
H9B H 0.088519 0.849286 1.190154 0.048 Uiso 1 1 calc R U . . .
C10B C 0.1146(5) 0.7384(5) 1.1918(3) 0.0395(16) Uani 1 1 d . . . . .
H10B H 0.116697 0.747011 1.231759 0.047 Uiso 1 1 calc R U . . .
C11B C 0.1264(5) 0.6676(4) 1.1595(3) 0.0350(14) Uani 1 1 d . . . . .
H11B H 0.137436 0.626903 1.176880 0.042 Uiso 1 1 calc R U . . .
C12B C 0.1225(5) 0.6534(4) 1.1002(3) 0.0295(13) Uani 1 1 d . . . . .
C13B C 0.1297(5) 0.5783(4) 1.0640(3) 0.0308(13) Uani 1 1 d . . . . .
H13B H 0.136962 0.535516 1.079533 0.037 Uiso 1 1 calc R U . . .
C14B C 0.1094(5) 0.7020(4) 1.0153(3) 0.0319(13) Uani 1 1 d . . . . .
H14B H 0.101439 0.744015 0.999047 0.038 Uiso 1 1 calc R U . . .
C15B C 0.3483(5) 0.6149(5) 1.0042(4) 0.0412(16) Uani 1 1 d . . . . .
C16B C 0.3823(5) 0.6027(5) 1.0932(4) 0.0461(18) Uani 1 1 d . . . . .
H16B H 0.395314 0.615594 1.134603 0.055 Uiso 1 1 calc R U . . .
C17B C 0.3786(5) 0.5308(5) 1.0555(4) 0.051(2) Uani 1 1 d . . . . .
H17B H 0.388086 0.483451 1.064761 0.061 Uiso 1 1 calc R U . . .
C18B C 0.3665(6) 0.7393(5) 1.0861(3) 0.0442(17) Uani 1 1 d . . . . .
H18A H 0.432449 0.769335 1.088334 0.066 Uiso 1 1 calc R U . . .
H18B H 0.359029 0.749832 1.125779 0.066 Uiso 1 1 calc R U . . .
H18C H 0.310022 0.755666 1.061591 0.066 Uiso 1 1 calc R U . . .
C19B C 0.3573(5) 0.4888(5) 0.9467(4) 0.048(2) Uani 1 1 d . . . . .
C20B C 0.3464(6) 0.5261(5) 0.9017(4) 0.0450(18) Uani 1 1 d . . . . .
C21B C 0.3583(6) 0.4853(5) 0.8484(4) 0.053(2) Uani 1 1 d . . . . .
H21B H 0.356979 0.510136 0.818980 0.064 Uiso 1 1 calc R U . . .
C22B C 0.3728(6) 0.4045(6) 0.8379(4) 0.061(3) Uani 1 1 d . . . . .
C23B C 0.3864(7) 0.3612(6) 0.7835(5) 0.066(3) Uani 1 1 d . U . . .
H23B H 0.386807 0.385099 0.753703 0.079 Uiso 1 1 calc R U . . .
C24B C 0.3991(7) 0.2829(7) 0.7751(5) 0.079(3) Uani 1 1 d . U . . .
H24B H 0.410335 0.254126 0.739321 0.095 Uiso 1 1 calc R U . . .
C25B C 0.3961(7) 0.2449(7) 0.8163(5) 0.076(3) Uani 1 1 d . U . . .
H25B H 0.402585 0.190710 0.808625 0.091 Uiso 1 1 calc R U . . .
C26B C 0.3838(6) 0.2867(5) 0.8676(5) 0.063(3) Uani 1 1 d . U . . .
H26B H 0.381534 0.260490 0.895940 0.075 Uiso 1 1 calc R U . . .
C27B C 0.3740(6) 0.3668(5) 0.8820(5) 0.061(3) Uani 1 1 d . . . . .
C28B C 0.3670(6) 0.4114(5) 0.9357(5) 0.055(2) Uani 1 1 d . . . . .
H28B H 0.369061 0.387509 0.965679 0.066 Uiso 1 1 calc R U . . .
C29B C 0.2128(7) 0.6060(4) 0.8011(3) 0.0442(18) Uani 1 1 d . . . . .
H29B H 0.207747 0.607896 0.762542 0.053 Uiso 1 1 calc R U . . .
C30B C 0.0729(7) 0.5025(4) 0.7552(3) 0.0408(17) Uani 1 1 d . . . . .
C31B C -0.0329(7) 0.4832(5) 0.7434(4) 0.0477(19) Uani 1 1 d . . . . .
H31B H -0.064928 0.512419 0.770104 0.057 Uiso 1 1 calc R U . . .
C32B C -0.0932(8) 0.4232(5) 0.6942(4) 0.055(2) Uani 1 1 d . . . . .
H32B H -0.165458 0.410416 0.687436 0.066 Uiso 1 1 calc R U . . .
C33B C -0.0458(8) 0.3814(5) 0.6545(4) 0.056(2) Uani 1 1 d . . . . .
H33B H -0.085806 0.339169 0.620544 0.067 Uiso 1 1 calc R U . . .
C34B C 0.0587(8) 0.4015(5) 0.6645(3) 0.050(2) Uani 1 1 d . . . . .
H34B H 0.089942 0.374276 0.636526 0.060 Uiso 1 1 calc R U . . .
C35B C 0.1190(7) 0.4607(4) 0.7148(3) 0.0434(17) Uani 1 1 d . . . . .
H35B H 0.191376 0.472782 0.721838 0.052 Uiso 1 1 calc R U . . .
C36B C 0.3722(9) 0.7030(6) 0.8377(5) 0.060(2) Uani 0.5 1 d G . P A 1
C37B C 0.3354(8) 0.7665(7) 0.8229(5) 0.060(2) Uani 0.5 1 d G . P A 1
H37B H 0.264963 0.770202 0.818132 0.072 Uiso 0.5 1 calc R U P A 1
C38B C 0.4015(10) 0.8246(5) 0.8152(5) 0.060(2) Uani 0.5 1 d G . P A 1
H38B H 0.376328 0.867997 0.805091 0.072 Uiso 0.5 1 calc R U P A 1
C39B C 0.5045(10) 0.8192(5) 0.8222(5) 0.060(2) Uani 0.5 1 d G . P A 1
H39B H 0.549744 0.858893 0.816931 0.072 Uiso 0.5 1 calc R U P A 1
C40B C 0.5414(8) 0.7557(6) 0.8370(5) 0.060(2) Uani 0.5 1 d G . P A 1
H40B H 0.611797 0.751993 0.841811 0.072 Uiso 0.5 1 calc R U P A 1
C41B C 0.4752(10) 0.6976(6) 0.8448(5) 0.060(2) Uani 0.5 1 d G . P A 1
H41B H 0.500434 0.654197 0.854853 0.072 Uiso 0.5 1 calc R U P A 1
C36C C 0.3320(10) 0.7167(7) 0.8231(6) 0.070(3) Uani 0.5 1 d G . P A 2
C37C C 0.2701(8) 0.7636(8) 0.7994(6) 0.070(3) Uani 0.5 1 d G . P A 2
H37C H 0.197730 0.752663 0.792972 0.084 Uiso 0.5 1 calc R U P A 2
C38C C 0.3140(10) 0.8265(7) 0.7852(6) 0.070(3) Uani 0.5 1 d G . P A 2
H38C H 0.271730 0.858508 0.769038 0.084 Uiso 0.5 1 calc R U P A 2
C39C C 0.4199(10) 0.8425(7) 0.7947(6) 0.070(3) Uani 0.5 1 d G . P A 2
H39C H 0.449949 0.885444 0.784939 0.084 Uiso 0.5 1 calc R U P A 2
C40C C 0.4818(8) 0.7956(8) 0.8183(6) 0.070(3) Uani 0.5 1 d G . P A 2
H40C H 0.554169 0.806534 0.824773 0.084 Uiso 0.5 1 calc R U P A 2
C41C C 0.4379(10) 0.7327(8) 0.8325(6) 0.070(3) Uani 0.5 1 d G . P A 2
H41C H 0.480171 0.700689 0.848707 0.084 Uiso 0.5 1 calc R U P A 2
C42B C 0.2017(7) 0.7679(4) 0.9239(3) 0.0445(18) Uani 1 1 d . . . . .
H42B H 0.193058 0.820731 0.926221 0.053 Uiso 1 1 calc R U . . .
C43B C 0.0286(7) 0.7331(5) 0.8646(3) 0.0451(18) Uani 1 1 d . . . . .
C44B C -0.0219(8) 0.6971(5) 0.8055(4) 0.053(2) Uani 1 1 d . . . . .
H44B H 0.004517 0.656707 0.782394 0.063 Uiso 1 1 calc R U . . .
C45B C -0.1091(8) 0.7197(5) 0.7806(4) 0.057(2) Uani 1 1 d . . . . .
H45B H -0.144606 0.693488 0.740245 0.068 Uiso 1 1 calc R U . . .
C46B C -0.1478(8) 0.7795(6) 0.8123(4) 0.061(2) Uani 1 1 d . . . . .
H46B H -0.208386 0.795555 0.794177 0.073 Uiso 1 1 calc R U . . .
C47B C -0.0963(9) 0.8152(6) 0.8708(4) 0.068(3) Uani 1 1 d . . . . .
H47B H -0.121883 0.856543 0.893557 0.081 Uiso 1 1 calc R U . . .
C48B C -0.0110(8) 0.7930(5) 0.8965(4) 0.058(2) Uani 1 1 d . . . . .
H48B H 0.022970 0.818615 0.937199 0.070 Uiso 1 1 calc R U . . .
C49B C 0.3656(7) 0.8297(5) 0.9884(4) 0.052(2) Uani 1 1 d . . . . .
C50B C 0.3348(10) 0.8867(6) 1.0293(4) 0.072(3) Uani 1 1 d . . . . .
H50B H 0.266060 0.877503 1.031020 0.086 Uiso 1 1 calc R U . . .
C51B C 0.4007(10) 0.9555(6) 1.0670(5) 0.077(3) Uani 1 1 d . . . . .
H51B H 0.378940 0.992629 1.095188 0.093 Uiso 1 1 calc R U . . .
C52B C 0.4988(10) 0.9686(6) 1.0624(5) 0.080(3) Uani 1 1 d . . . . .
H52B H 0.546269 1.015049 1.088406 0.096 Uiso 1 1 calc R U . . .
C53B C 0.5292(10) 0.9151(7) 1.0206(5) 0.079(3) Uani 1 1 d . . . . .
H53B H 0.597032 0.925287 1.017597 0.095 Uiso 1 1 calc R U . . .
C54B C 0.4617(7) 0.8472(5) 0.9833(4) 0.054(2) Uani 1 1 d . . . . .
H54B H 0.482330 0.811904 0.953457 0.064 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
Pt1A Pt2A 2.6070(5) . ?
Pt1A Cl1A 2.4510(18) . ?
Pt1A N5A 2.173(6) . ?
Pt1A N7A 2.072(5) . ?
Pt1A C1A 1.989(6) . ?
Pt1A C6A 2.024(6) . ?
Pt2A Cl2A 2.4379(17) . ?
Pt2A N6A 2.077(5) . ?
Pt2A N8A 2.178(6) . ?
Pt2A C15A 1.987(6) . ?
Pt2A C20A 2.032(7) . ?
N1A C1A 1.365(8) . ?
N1A C3A 1.385(8) . ?
N1A C5A 1.413(8) . ?
N2A C1A 1.350(8) . ?
N2A C2A 1.386(8) . ?
N2A C4A 1.442(8) . ?
N3A C15A 1.348(8) . ?
N3A C17A 1.386(8) . ?
N3A C19A 1.417(8) . ?
N4A C15A 1.347(8) . ?
N4A C16A 1.381(9) . ?
N4A C18A 1.450(9) . ?
N5A C29A 1.315(9) . ?
N5A C30A 1.414(8) . ?
N6A C29A 1.312(9) . ?
N6A C36A 1.436(8) . ?
N7A C42A 1.306(9) . ?
N7A C43A 1.441(9) . ?
N8A C42A 1.305(9) . ?
N8A C49A 1.426(9) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.338(10) . ?
C3A H3A 0.9500 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C5A C6A 1.433(9) . ?
C5A C14A 1.354(9) . ?
C6A C7A 1.374(10) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.418(10) . ?
C8A C9A 1.429(10) . ?
C8A C13A 1.399(10) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.337(11) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.430(12) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.379(11) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.410(10) . ?
C13A C14A 1.417(10) . ?
C14A H14A 0.9500 . ?
C16A H16A 0.9500 . ?
C16A C17A 1.347(10) . ?
C17A H17A 0.9500 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A C20A 1.408(9) . ?
C19A C28A 1.371(9) . ?
C20A C21A 1.364(9) . ?
C21A H21A 0.9500 . ?
C21A C22A 1.406(10) . ?
C22A C23A 1.439(9) . ?
C22A C27A 1.414(9) . ?
C23A H23A 0.9500 . ?
C23A C999 1.356(10) . ?
C25A H25A 0.9500 . ?
C25A C26A 1.365(10) . ?
C25A C999 1.394(10) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.416(9) . ?
C27A C28A 1.412(9) . ?
C28A H28A 0.9500 . ?
C29A H29A 0.9500 . ?
C30A C31A 1.404(11) . ?
C30A C35A 1.361(12) . ?
C31A H31A 0.9500 . ?
C31A C32A 1.372(11) . ?
C32A H32A 0.9500 . ?
C32A C33A 1.378(14) . ?
C33A H33A 0.9500 . ?
C33A C34A 1.371(15) . ?
C34A H34A 0.9500 . ?
C34A C35A 1.383(12) . ?
C35A H35A 0.9500 . ?
C36A C37A 1.397(11) . ?
C36A C41A 1.380(12) . ?
C37A H37A 0.9500 . ?
C37A C38A 1.401(11) . ?
C38A H38A 0.9500 . ?
C38A C39A 1.343(14) . ?
C39A H39A 0.9500 . ?
C39A C40A 1.368(16) . ?
C40A H40A 0.9500 . ?
C40A C41A 1.407(12) . ?
C41A H41A 0.9500 . ?
C42A H42A 0.9500 . ?
C43A C44A 1.380(12) . ?
C43A C48A 1.399(12) . ?
C44A H44A 0.9500 . ?
C44A C45A 1.420(12) . ?
C45A H45A 0.9500 . ?
C45A C46A 1.351(14) . ?
C46A H46A 0.9500 . ?
C46A C47A 1.371(15) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.370(13) . ?
C48A H48A 0.9500 . ?
C49A C50A 1.362(11) . ?
C49A C54A 1.421(11) . ?
C50A H50A 0.9500 . ?
C50A C51A 1.373(10) . ?
C51A H51A 0.9500 . ?
C51A C52A 1.373(12) . ?
C52A H52A 0.9500 . ?
C52A C53A 1.400(12) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.398(10) . ?
C54A H54A 0.9500 . ?
C999 H999 0.9500 . ?
Pt1B Pt2B 2.6111(6) . ?
Pt1B Cl1B 2.4550(18) . ?
Pt1B N5B 2.180(6) . ?
Pt1B N7B 2.087(6) . ?
Pt1B C1B 1.995(6) . ?
Pt1B C6B 2.018(6) . ?
Pt2B Cl2B 2.466(2) . ?
Pt2B N6B 2.074(7) . ?
Pt2B N8B 2.158(6) . ?
Pt2B C15B 2.015(8) . ?
Pt2B C20B 2.022(8) . ?
N1B C1B 1.349(8) . ?
N1B C3B 1.375(8) . ?
N1B C5B 1.411(8) . ?
N2B C1B 1.364(8) . ?
N2B C2B 1.367(8) . ?
N2B C4B 1.440(8) . ?
N3B C15B 1.336(10) . ?
N3B C17B 1.377(11) . ?
N3B C19B 1.392(11) . ?
N4B C15B 1.329(10) . ?
N4B C16B 1.399(11) . ?
N4B C18B 1.458(10) . ?
N5B C29B 1.302(10) . ?
N5B C30B 1.433(10) . ?
N6B C29B 1.323(11) . ?
N6B C36B 1.418(10) . ?
N6B C36C 1.535(10) . ?
N7B C42B 1.307(11) . ?
N7B C43B 1.453(11) . ?
N8B C42B 1.314(11) . ?
N8B C49B 1.445(10) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.369(9) . ?
C3B H3B 0.9500 . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C5B C6B 1.425(9) . ?
C5B C13B 1.351(9) . ?
C6B C14B 1.381(9) . ?
C7B C8B 1.409(10) . ?
C7B C12B 1.410(9) . ?
C7B C14B 1.427(9) . ?
C8B H8B 0.9500 . ?
C8B C9B 1.371(10) . ?
C9B H9B 0.9500 . ?
C9B C10B 1.408(11) . ?
C10B H10B 0.9500 . ?
C10B C11B 1.344(10) . ?
C11B H11B 0.9500 . ?
C11B C12B 1.405(9) . ?
C12B C13B 1.417(9) . ?
C13B H13B 0.9500 . ?
C14B H14B 0.9500 . ?
C16B H16B 0.9500 . ?
C16B C17B 1.347(12) . ?
C17B H17B 0.9500 . ?
C18B H18A 0.9800 . ?
C18B H18B 0.9800 . ?
C18B H18C 0.9800 . ?
C19B C20B 1.435(13) . ?
C19B C28B 1.360(12) . ?
C20B C21B 1.378(11) . ?
C21B H21B 0.9500 . ?
C21B C22B 1.436(13) . ?
C22B C23B 1.423(13) . ?
C22B C27B 1.432(16) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.392(15) . ?
C24B H24B 0.9500 . ?
C24B C25B 1.382(18) . ?
C25B H25B 0.9500 . ?
C25B C26B 1.343(15) . ?
C26B H26B 0.9500 . ?
C26B C27B 1.404(12) . ?
C27B C28B 1.379(14) . ?
C28B H28B 0.9500 . ?
C29B H29B 0.9500 . ?
C30B C31B 1.385(12) . ?
C30B C35B 1.396(11) . ?
C31B H31B 0.9500 . ?
C31B C32B 1.376(12) . ?
C32B H32B 0.9500 . ?
C32B C33B 1.397(13) . ?
C33B H33B 0.9500 . ?
C33B C34B 1.375(14) . ?
C34B H34B 0.9500 . ?
C34B C35B 1.384(12) . ?
C35B H35B 0.9500 . ?
C36B C37B 1.3900 . ?
C36B C41B 1.3900 . ?
C37B H37B 0.9500 . ?
C37B C38B 1.3900 . ?
C38B H38B 0.9500 . ?
C38B C39B 1.3900 . ?
C39B H39B 0.9500 . ?
C39B C40B 1.3900 . ?
C40B H40B 0.9500 . ?
C40B C41B 1.3900 . ?
C41B H41B 0.9500 . ?
C36C C37C 1.3900 . ?
C36C C41C 1.3900 . ?
C37C H37C 0.9500 . ?
C37C C38C 1.3900 . ?
C38C H38C 0.9500 . ?
C38C C39C 1.3900 . ?
C39C H39C 0.9500 . ?
C39C C40C 1.3900 . ?
C40C H40C 0.9500 . ?
C40C C41C 1.3900 . ?
C41C H41C 0.9500 . ?
C42B H42B 0.9500 . ?
C43B C44B 1.382(12) . ?
C43B C48B 1.388(11) . ?
C44B H44B 0.9500 . ?
C44B C45B 1.353(13) . ?
C45B H45B 0.9500 . ?
C45B C46B 1.376(13) . ?
C46B H46B 0.9500 . ?
C46B C47B 1.372(14) . ?
C47B H47B 0.9500 . ?
C47B C48B 1.336(13) . ?
C48B H48B 0.9500 . ?
C49B C50B 1.401(13) . ?
C49B C54B 1.361(12) . ?
C50B H50B 0.9500 . ?
C50B C51B 1.378(14) . ?
C51B H51B 0.9500 . ?
C51B C52B 1.374(16) . ?
C52B H52B 0.9500 . ?
C52B C53B 1.379(16) . ?
C53B H53B 0.9500 . ?
C53B C54B 1.375(14) . ?
C54B H54B 0.9500 . ?

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
Cl1A Pt1A Pt2A 176.44(5) . . ?
N5A Pt1A Pt2A 84.82(16) . . ?
N5A Pt1A Cl1A 98.53(16) . . ?
N7A Pt1A Pt2A 84.71(17) . . ?
N7A Pt1A Cl1A 94.34(17) . . ?
N7A Pt1A N5A 84.9(2) . . ?
C1A Pt1A Pt2A 97.42(17) . . ?
C1A Pt1A Cl1A 83.10(18) . . ?
C1A Pt1A N5A 102.2(2) . . ?
C1A Pt1A N7A 172.7(2) . . ?
C1A Pt1A C6A 80.6(3) . . ?
C6A Pt1A Pt2A 90.79(17) . . ?
C6A Pt1A Cl1A 85.81(18) . . ?
C6A Pt1A N5A 175.1(2) . . ?
C6A Pt1A N7A 92.4(2) . . ?
Cl2A Pt2A Pt1A 177.90(4) . . ?
N6A Pt2A Pt1A 84.23(16) . . ?
N6A Pt2A Cl2A 96.94(16) . . ?
N6A Pt2A N8A 83.4(2) . . ?
N8A Pt2A Pt1A 84.55(15) . . ?
N8A Pt2A Cl2A 97.30(16) . . ?
C15A Pt2A Pt1A 95.67(18) . . ?
C15A Pt2A Cl2A 82.95(18) . . ?
C15A Pt2A N6A 173.1(3) . . ?
C15A Pt2A N8A 103.4(2) . . ?
C15A Pt2A C20A 79.3(3) . . ?
C20A Pt2A Pt1A 90.43(17) . . ?
C20A Pt2A Cl2A 87.76(18) . . ?
C20A Pt2A N6A 93.8(2) . . ?
C20A Pt2A N8A 174.5(2) . . ?
C1A N1A C3A 111.0(5) . . ?
C1A N1A C5A 117.8(5) . . ?
C3A N1A C5A 130.9(5) . . ?
C1A N2A C2A 110.0(5) . . ?
C1A N2A C4A 125.6(5) . . ?
C2A N2A C4A 124.4(5) . . ?
C15A N3A C17A 111.3(5) . . ?
C15A N3A C19A 116.7(5) . . ?
C17A N3A C19A 131.6(6) . . ?
C15A N4A C16A 110.1(6) . . ?
C15A N4A C18A 124.1(6) . . ?
C16A N4A C18A 125.4(6) . . ?
C29A N5A Pt1A 115.0(4) . . ?
C29A N5A C30A 113.5(6) . . ?
C30A N5A Pt1A 131.0(5) . . ?
C29A N6A Pt2A 121.3(4) . . ?
C29A N6A C36A 115.9(5) . . ?
C36A N6A Pt2A 122.7(4) . . ?
C42A N7A Pt1A 121.1(5) . . ?
C42A N7A C43A 118.8(6) . . ?
C43A N7A Pt1A 120.1(4) . . ?
C42A N8A Pt2A 115.9(4) . . ?
C42A N8A C49A 113.1(6) . . ?
C49A N8A Pt2A 130.6(5) . . ?
N1A C1A Pt1A 115.0(4) . . ?
N2A C1A Pt1A 139.5(5) . . ?
N2A C1A N1A 104.8(5) . . ?
N2A C2A H2A 125.9 . . ?
C3A C2A N2A 108.3(6) . . ?
C3A C2A H2A 125.9 . . ?
N1A C3A H3A 127.1 . . ?
C2A C3A N1A 105.9(6) . . ?
C2A C3A H3A 127.1 . . ?
N2A C4A H4AA 109.5 . . ?
N2A C4A H4AB 109.5 . . ?
N2A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
N1A C5A C6A 112.2(6) . . ?
C14A C5A N1A 124.5(6) . . ?
C14A C5A C6A 123.3(6) . . ?
C5A C6A Pt1A 114.1(5) . . ?
C7A C6A Pt1A 129.1(5) . . ?
C7A C6A C5A 116.7(6) . . ?
C6A C7A H7A 119.3 . . ?
C6A C7A C8A 121.3(7) . . ?
C8A C7A H7A 119.3 . . ?
C7A C8A C9A 121.1(7) . . ?
C13A C8A C7A 120.2(6) . . ?
C13A C8A C9A 118.7(7) . . ?
C8A C9A H9A 119.8 . . ?
C10A C9A C8A 120.5(8) . . ?
C10A C9A H9A 119.8 . . ?
C9A C10A H10A 119.3 . . ?
C9A C10A C11A 121.3(8) . . ?
C11A C10A H10A 119.3 . . ?
C10A C11A H11A 120.4 . . ?
C12A C11A C10A 119.2(7) . . ?
C12A C11A H11A 120.4 . . ?
C11A C12A H12A 120.1 . . ?
C11A C12A C13A 119.8(8) . . ?
C13A C12A H12A 120.1 . . ?
C8A C13A C12A 120.5(7) . . ?
C8A C13A C14A 118.9(7) . . ?
C12A C13A C14A 120.6(7) . . ?
C5A C14A C13A 119.3(6) . . ?
C5A C14A H14A 120.3 . . ?
C13A C14A H14A 120.3 . . ?
N3A C15A Pt2A 116.3(5) . . ?
N4A C15A Pt2A 138.2(5) . . ?
N4A C15A N3A 105.2(5) . . ?
N4A C16A H16A 126.1 . . ?
C17A C16A N4A 107.9(6) . . ?
C17A C16A H16A 126.1 . . ?
N3A C17A H17A 127.2 . . ?
C16A C17A N3A 105.5(6) . . ?
C16A C17A H17A 127.2 . . ?
N4A C18A H18D 109.5 . . ?
N4A C18A H18E 109.5 . . ?
N4A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C20A C19A N3A 112.5(6) . . ?
C28A C19A N3A 123.6(6) . . ?
C28A C19A C20A 123.8(6) . . ?
C19A C20A Pt2A 114.6(5) . . ?
C21A C20A Pt2A 128.1(5) . . ?
C21A C20A C19A 117.4(6) . . ?
C20A C21A H21A 119.4 . . ?
C20A C21A C22A 121.2(6) . . ?
C22A C21A H21A 119.4 . . ?
C21A C22A C23A 121.9(6) . . ?
C21A C22A C27A 120.4(6) . . ?
C27A C22A C23A 117.7(6) . . ?
C22A C23A H23A 119.4 . . ?
C999 C23A C22A 121.1(6) . . ?
C999 C23A H23A 119.4 . . ?
C26A C25A H25A 119.7 . . ?
C26A C25A C999 120.6(7) . . ?
C999 C25A H25A 119.7 . . ?
C25A C26A H26A 119.6 . . ?
C25A C26A C27A 120.8(7) . . ?
C27A C26A H26A 119.6 . . ?
C22A C27A C26A 119.2(6) . . ?
C28A C27A C22A 118.5(6) . . ?
C28A C27A C26A 122.3(6) . . ?
C19A C28A C27A 118.4(6) . . ?
C19A C28A H28A 120.8 . . ?
C27A C28A H28A 120.8 . . ?
N5A C29A H29A 117.2 . . ?
N6A C29A N5A 125.6(6) . . ?
N6A C29A H29A 117.2 . . ?
C31A C30A N5A 119.4(7) . . ?
C35A C30A N5A 123.1(7) . . ?
C35A C30A C31A 117.5(7) . . ?
C30A C31A H31A 119.1 . . ?
C32A C31A C30A 121.9(8) . . ?
C32A C31A H31A 119.1 . . ?
C31A C32A H32A 120.4 . . ?
C31A C32A C33A 119.2(9) . . ?
C33A C32A H32A 120.4 . . ?
C32A C33A H33A 120.2 . . ?
C34A C33A C32A 119.6(8) . . ?
C34A C33A H33A 120.2 . . ?
C33A C34A H34A 119.6 . . ?
C33A C34A C35A 120.7(10) . . ?
C35A C34A H34A 119.6 . . ?
C30A C35A C34A 121.0(9) . . ?
C30A C35A H35A 119.5 . . ?
C34A C35A H35A 119.5 . . ?
C37A C36A N6A 119.4(7) . . ?
C41A C36A N6A 120.5(7) . . ?
C41A C36A C37A 120.0(7) . . ?
C36A C37A H37A 119.9 . . ?
C36A C37A C38A 120.2(8) . . ?
C38A C37A H37A 119.9 . . ?
C37A C38A H38A 120.2 . . ?
C39A C38A C37A 119.5(8) . . ?
C39A C38A H38A 120.2 . . ?
C38A C39A H39A 119.6 . . ?
C38A C39A C40A 120.9(8) . . ?
C40A C39A H39A 119.6 . . ?
C39A C40A H40A 119.2 . . ?
C39A C40A C41A 121.5(9) . . ?
C41A C40A H40A 119.2 . . ?
C36A C41A C40A 117.8(9) . . ?
C36A C41A H41A 121.1 . . ?
C40A C41A H41A 121.1 . . ?
N7A C42A H42A 117.0 . . ?
N8A C42A N7A 126.0(6) . . ?
N8A C42A H42A 117.0 . . ?
C44A C43A N7A 119.1(7) . . ?
C44A C43A C48A 118.8(8) . . ?
C48A C43A N7A 121.8(7) . . ?
C43A C44A H44A 120.4 . . ?
C43A C44A C45A 119.2(9) . . ?
C45A C44A H44A 120.4 . . ?
C44A C45A H45A 119.7 . . ?
C46A C45A C44A 120.6(9) . . ?
C46A C45A H45A 119.7 . . ?
C45A C46A H46A 120.1 . . ?
C45A C46A C47A 119.9(9) . . ?
C47A C46A H46A 120.1 . . ?
C46A C47A H47A 119.5 . . ?
C48A C47A C46A 120.9(10) . . ?
C48A C47A H47A 119.5 . . ?
C43A C48A H48A 119.8 . . ?
C47A C48A C43A 120.4(9) . . ?
C47A C48A H48A 119.8 . . ?
C50A C49A N8A 121.9(7) . . ?
C50A C49A C54A 119.1(7) . . ?
C54A C49A N8A 118.9(7) . . ?
C49A C50A H50A 119.0 . . ?
C49A C50A C51A 122.0(8) . . ?
C51A C50A H50A 119.0 . . ?
C50A C51A H51A 119.9 . . ?
C52A C51A C50A 120.2(8) . . ?
C52A C51A H51A 119.9 . . ?
C51A C52A H52A 120.1 . . ?
C51A C52A C53A 119.8(7) . . ?
C53A C52A H52A 120.1 . . ?
C52A C53A H53A 120.0 . . ?
C54A C53A C52A 120.0(8) . . ?
C54A C53A H53A 120.0 . . ?
C49A C54A H54A 120.5 . . ?
C53A C54A C49A 118.9(7) . . ?
C53A C54A H54A 120.5 . . ?
C23A C999 C25A 120.5(7) . . ?
C23A C999 H999 119.7 . . ?
C25A C999 H999 119.7 . . ?
Cl1B Pt1B Pt2B 173.66(5) . . ?
N5B Pt1B Pt2B 84.06(18) . . ?
N5B Pt1B Cl1B 100.56(19) . . ?
N7B Pt1B Pt2B 84.2(2) . . ?
N7B Pt1B Cl1B 91.7(2) . . ?
N7B Pt1B N5B 87.6(2) . . ?
C1B Pt1B Pt2B 95.80(17) . . ?
C1B Pt1B Cl1B 87.67(18) . . ?
C1B Pt1B N5B 100.5(2) . . ?
C1B Pt1B N7B 171.8(2) . . ?
C1B Pt1B C6B 80.1(3) . . ?
C6B Pt1B Pt2B 92.46(19) . . ?
C6B Pt1B Cl1B 82.89(19) . . ?
C6B Pt1B N5B 176.5(3) . . ?
C6B Pt1B N7B 91.8(3) . . ?
Cl2B Pt2B Pt1B 176.16(6) . . ?
N6B Pt2B Pt1B 83.8(2) . . ?
N6B Pt2B Cl2B 98.4(2) . . ?
N6B Pt2B N8B 85.2(3) . . ?
N8B Pt2B Pt1B 84.48(18) . . ?
N8B Pt2B Cl2B 98.83(19) . . ?
C15B Pt2B Pt1B 94.97(19) . . ?
C15B Pt2B Cl2B 82.5(2) . . ?
C15B Pt2B N6B 172.4(3) . . ?
C15B Pt2B N8B 102.2(3) . . ?
C15B Pt2B C20B 79.5(3) . . ?
C20B Pt2B Pt1B 93.2(2) . . ?
C20B Pt2B Cl2B 83.5(2) . . ?
C20B Pt2B N6B 93.1(3) . . ?
C20B Pt2B N8B 177.3(3) . . ?
C1B N1B C3B 112.4(5) . . ?
C1B N1B C5B 117.4(5) . . ?
C3B N1B C5B 130.2(5) . . ?
C1B N2B C2B 110.3(5) . . ?
C1B N2B C4B 127.4(5) . . ?
C2B N2B C4B 122.3(5) . . ?
C15B N3B C17B 110.7(7) . . ?
C15B N3B C19B 118.0(8) . . ?
C17B N3B C19B 131.0(8) . . ?
C15B N4B C16B 108.7(7) . . ?
C15B N4B C18B 127.2(7) . . ?
C16B N4B C18B 124.1(7) . . ?
C29B N5B Pt1B 114.4(5) . . ?
C29B N5B C30B 115.5(6) . . ?
C30B N5B Pt1B 130.1(5) . . ?
C29B N6B Pt2B 120.9(5) . . ?
C29B N6B C36B 124.9(8) . . ?
C29B N6B C36C 104.7(8) . . ?
C36B N6B Pt2B 114.2(7) . . ?
C36C N6B Pt2B 130.3(7) . . ?
C42B N7B Pt1B 120.7(6) . . ?
C42B N7B C43B 117.5(7) . . ?
C43B N7B Pt1B 120.8(5) . . ?
C42B N8B Pt2B 116.4(5) . . ?
C42B N8B C49B 116.1(7) . . ?
C49B N8B Pt2B 126.7(6) . . ?
N1B C1B Pt1B 115.6(4) . . ?
N1B C1B N2B 104.5(5) . . ?
N2B C1B Pt1B 139.9(5) . . ?
N2B C2B H2B 126.0 . . ?
N2B C2B C3B 108.0(6) . . ?
C3B C2B H2B 126.0 . . ?
N1B C3B H3B 127.6 . . ?
C2B C3B N1B 104.8(6) . . ?
C2B C3B H3B 127.6 . . ?
N2B C4B H4BA 109.5 . . ?
N2B C4B H4BB 109.5 . . ?
N2B C4B H4BC 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
N1B C5B C6B 112.6(5) . . ?
C13B C5B N1B 123.1(6) . . ?
C13B C5B C6B 124.3(6) . . ?
C5B C6B Pt1B 114.3(5) . . ?
C14B C6B Pt1B 129.3(5) . . ?
C14B C6B C5B 116.4(6) . . ?
C8B C7B C12B 118.1(6) . . ?
C8B C7B C14B 121.3(6) . . ?
C12B C7B C14B 120.6(6) . . ?
C7B C8B H8B 119.5 . . ?
C9B C8B C7B 121.1(7) . . ?
C9B C8B H8B 119.5 . . ?
C8B C9B H9B 120.3 . . ?
C8B C9B C10B 119.5(7) . . ?
C10B C9B H9B 120.3 . . ?
C9B C10B H10B 119.5 . . ?
C11B C10B C9B 120.9(7) . . ?
C11B C10B H10B 119.5 . . ?
C10B C11B H11B 119.7 . . ?
C10B C11B C12B 120.5(7) . . ?
C12B C11B H11B 119.7 . . ?
C7B C12B C13B 118.1(6) . . ?
C11B C12B C7B 119.9(6) . . ?
C11B C12B C13B 122.0(6) . . ?
C5B C13B C12B 119.5(6) . . ?
C5B C13B H13B 120.2 . . ?
C12B C13B H13B 120.2 . . ?
C6B C14B C7B 120.9(6) . . ?
C6B C14B H14B 119.5 . . ?
C7B C14B H14B 119.5 . . ?
N3B C15B Pt2B 115.4(6) . . ?
N4B C15B Pt2B 137.3(6) . . ?
N4B C15B N3B 107.2(7) . . ?
N4B C16B H16B 126.2 . . ?
C17B C16B N4B 107.6(8) . . ?
C17B C16B H16B 126.2 . . ?
N3B C17B H17B 127.1 . . ?
C16B C17B N3B 105.9(8) . . ?
C16B C17B H17B 127.1 . . ?
N4B C18B H18A 109.5 . . ?
N4B C18B H18B 109.5 . . ?
N4B C18B H18C 109.5 . . ?
H18A C18B H18B 109.5 . . ?
H18A C18B H18C 109.5 . . ?
H18B C18B H18C 109.5 . . ?
N3B C19B C20B 112.9(7) . . ?
C28B C19B N3B 125.5(9) . . ?
C28B C19B C20B 121.6(9) . . ?
C19B C20B Pt2B 113.9(6) . . ?
C21B C20B Pt2B 127.1(7) . . ?
C21B C20B C19B 118.9(8) . . ?
C20B C21B H21B 120.6 . . ?
C20B C21B C22B 118.8(10) . . ?
C22B C21B H21B 120.6 . . ?
C23B C22B C21B 120.0(11) . . ?
C23B C22B C27B 119.3(9) . . ?
C27B C22B C21B 120.6(8) . . ?
C22B C23B H23B 121.0 . . ?
C24B C23B C22B 118.0(12) . . ?
C24B C23B H23B 121.0 . . ?
C23B C24B H24B 118.4 . . ?
C25B C24B C23B 123.1(10) . . ?
C25B C24B H24B 118.4 . . ?
C24B C25B H25B 121.0 . . ?
C26B C25B C24B 118.1(11) . . ?
C26B C25B H25B 121.0 . . ?
C25B C26B H26B 118.0 . . ?
C25B C26B C27B 123.9(12) . . ?
C27B C26B H26B 118.0 . . ?
C26B C27B C22B 117.4(10) . . ?
C28B C27B C22B 118.3(8) . . ?
C28B C27B C26B 124.3(11) . . ?
C19B C28B C27B 121.3(10) . . ?
C19B C28B H28B 119.4 . . ?
C27B C28B H28B 119.4 . . ?
N5B C29B N6B 125.2(7) . . ?
N5B C29B H29B 117.4 . . ?
N6B C29B H29B 117.4 . . ?
C31B C30B N5B 122.8(7) . . ?
C31B C30B C35B 118.4(7) . . ?
C35B C30B N5B 118.8(7) . . ?
C30B C31B H31B 118.8 . . ?
C32B C31B C30B 122.3(8) . . ?
C32B C31B H31B 118.8 . . ?
C31B C32B H32B 120.7 . . ?
C31B C32B C33B 118.6(9) . . ?
C33B C32B H32B 120.7 . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B C32B 119.9(8) . . ?
C34B C33B H33B 120.0 . . ?
C33B C34B H34B 119.5 . . ?
C33B C34B C35B 121.0(8) . . ?
C35B C34B H34B 119.5 . . ?
C30B C35B H35B 120.1 . . ?
C34B C35B C30B 119.7(8) . . ?
C34B C35B H35B 120.1 . . ?
C37B C36B N6B 113.9(9) . . ?
C37B C36B C41B 120.0 . . ?
C41B C36B N6B 126.1(9) . . ?
C36B C37B H37B 120.0 . . ?
C38B C37B C36B 120.0 . . ?
C38B C37B H37B 120.0 . . ?
C37B C38B H38B 120.0 . . ?
C39B C38B C37B 120.0 . . ?
C39B C38B H38B 120.0 . . ?
C38B C39B H39B 120.0 . . ?
C38B C39B C40B 120.0 . . ?
C40B C39B H39B 120.0 . . ?
C39B C40B H40B 120.0 . . ?
C39B C40B C41B 120.0 . . ?
C41B C40B H40B 120.0 . . ?
C36B C41B H41B 120.0 . . ?
C40B C41B C36B 120.0 . . ?
C40B C41B H41B 120.0 . . ?
C37C C36C N6B 126.3(9) . . ?
C37C C36C C41C 120.0 . . ?
C41C C36C N6B 113.6(9) . . ?
C36C C37C H37C 120.0 . . ?
C36C C37C C38C 120.0 . . ?
C38C C37C H37C 120.0 . . ?
C37C C38C H38C 120.0 . . ?
C39C C38C C37C 120.0 . . ?
C39C C38C H38C 120.0 . . ?
C38C C39C H39C 120.0 . . ?
C38C C39C C40C 120.0 . . ?
C40C C39C H39C 120.0 . . ?
C39C C40C H40C 120.0 . . ?
C41C C40C C39C 120.0 . . ?
C41C C40C H40C 120.0 . . ?
C36C C41C H41C 120.0 . . ?
C40C C41C C36C 120.0 . . ?
C40C C41C H41C 120.0 . . ?
N7B C42B N8B 125.2(7) . . ?
N7B C42B H42B 117.4 . . ?
N8B C42B H42B 117.4 . . ?
C44B C43B N7B 121.3(7) . . ?
C44B C43B C48B 118.6(8) . . ?
C48B C43B N7B 120.1(8) . . ?
C43B C44B H44B 120.2 . . ?
C45B C44B C43B 119.5(9) . . ?
C45B C44B H44B 120.2 . . ?
C44B C45B H45B 119.1 . . ?
C44B C45B C46B 121.8(9) . . ?
C46B C45B H45B 119.1 . . ?
C45B C46B H46B 121.0 . . ?
C47B C46B C45B 118.0(9) . . ?
C47B C46B H46B 121.0 . . ?
C46B C47B H47B 119.3 . . ?
C48B C47B C46B 121.3(9) . . ?
C48B C47B H47B 119.3 . . ?
C43B C48B H48B 119.6 . . ?
C47B C48B C43B 120.8(9) . . ?
C47B C48B H48B 119.6 . . ?
C50B C49B N8B 118.5(8) . . ?
C54B C49B N8B 123.8(8) . . ?
C54B C49B C50B 117.7(8) . . ?
C49B C50B H50B 118.8 . . ?
C51B C50B C49B 122.4(11) . . ?
C51B C50B H50B 118.8 . . ?
C50B C51B H51B 121.1 . . ?
C52B C51B C50B 117.8(10) . . ?
C52B C51B H51B 121.1 . . ?
C51B C52B H52B 119.6 . . ?
C51B C52B C53B 120.8(10) . . ?
C53B C52B H52B 119.6 . . ?
C52B C53B H53B 119.9 . . ?
C54B C53B C52B 120.2(11) . . ?
C54B C53B H53B 119.9 . . ?
C49B C54B C53B 121.0(9) . . ?
C49B C54B H54B 119.5 . . ?
C53B C54B H54B 119.5 . . ?

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
Pt1A N5A C29A N6A 18.5(9) . . . . ?
Pt1A N5A C30A C31A -140.7(6) . . . . ?
Pt1A N5A C30A C35A 37.9(10) . . . . ?
Pt1A N7A C42A N8A 10.8(10) . . . . ?
Pt1A N7A C43A C44A -97.9(8) . . . . ?
Pt1A N7A C43A C48A 76.2(9) . . . . ?
Pt1A C6A C7A C8A -178.5(5) . . . . ?
Pt2A N6A C29A N5A 8.0(10) . . . . ?
Pt2A N6A C36A C37A -106.3(7) . . . . ?
Pt2A N6A C36A C41A 76.5(8) . . . . ?
Pt2A N8A C42A N7A 14.3(9) . . . . ?
Pt2A N8A C49A C50A -133.7(7) . . . . ?
Pt2A N8A C49A C54A 49.7(9) . . . . ?
Pt2A C20A C21A C22A -173.9(5) . . . . ?
N1A C5A C6A Pt1A -4.1(7) . . . . ?
N1A C5A C6A C7A 175.1(6) . . . . ?
N1A C5A C14A C13A -177.1(6) . . . . ?
N2A C2A C3A N1A 0.3(7) . . . . ?
N3A C19A C20A Pt2A -6.9(7) . . . . ?
N3A C19A C20A C21A 174.6(5) . . . . ?
N3A C19A C28A C27A -179.2(6) . . . . ?
N4A C16A C17A N3A 0.4(7) . . . . ?
N5A C30A C31A C32A -179.8(7) . . . . ?
N5A C30A C35A C34A -177.1(8) . . . . ?
N6A C36A C37A C38A -176.6(7) . . . . ?
N6A C36A C41A C40A 177.6(8) . . . . ?
N7A C43A C44A C45A 176.0(8) . . . . ?
N7A C43A C48A C47A -176.6(9) . . . . ?
N8A C49A C50A C51A -179.1(7) . . . . ?
N8A C49A C54A C53A 177.4(7) . . . . ?
C1A N1A C3A C2A -1.0(7) . . . . ?
C1A N1A C5A C6A 3.3(8) . . . . ?
C1A N1A C5A C14A -176.9(6) . . . . ?
C1A N2A C2A C3A 0.4(7) . . . . ?
C2A N2A C1A Pt1A -170.8(6) . . . . ?
C2A N2A C1A N1A -1.0(7) . . . . ?
C3A N1A C1A Pt1A 173.9(4) . . . . ?
C3A N1A C1A N2A 1.2(7) . . . . ?
C3A N1A C5A C6A -170.3(6) . . . . ?
C3A N1A C5A C14A 9.5(11) . . . . ?
C4A N2A C1A Pt1A 6.3(11) . . . . ?
C4A N2A C1A N1A 176.1(6) . . . . ?
C4A N2A C2A C3A -176.7(6) . . . . ?
C5A N1A C1A Pt1A -0.9(7) . . . . ?
C5A N1A C1A N2A -173.6(5) . . . . ?
C5A N1A C3A C2A 173.0(6) . . . . ?
C5A C6A C7A C8A 2.3(9) . . . . ?
C6A C5A C14A C13A 2.6(10) . . . . ?
C6A C7A C8A C9A 179.6(7) . . . . ?
C6A C7A C8A C13A 1.8(10) . . . . ?
C7A C8A C9A C10A -178.3(7) . . . . ?
C7A C8A C13A C12A 178.2(6) . . . . ?
C7A C8A C13A C14A -3.8(10) . . . . ?
C8A C9A C10A C11A 1.3(12) . . . . ?
C8A C13A C14A C5A 1.7(10) . . . . ?
C9A C8A C13A C12A 0.3(10) . . . . ?
C9A C8A C13A C14A 178.3(6) . . . . ?
C9A C10A C11A C12A -2.2(12) . . . . ?
C10A C11A C12A C13A 2.1(11) . . . . ?
C11A C12A C13A C8A -1.2(10) . . . . ?
C11A C12A C13A C14A -179.1(7) . . . . ?
C12A C13A C14A C5A 179.6(6) . . . . ?
C13A C8A C9A C10A -0.4(11) . . . . ?
C14A C5A C6A Pt1A 176.1(5) . . . . ?
C14A C5A C6A C7A -4.6(9) . . . . ?
C15A N3A C17A C16A -1.4(7) . . . . ?
C15A N3A C19A C20A 2.4(8) . . . . ?
C15A N3A C19A C28A -179.0(6) . . . . ?
C15A N4A C16A C17A 0.7(7) . . . . ?
C16A N4A C15A Pt2A -175.5(6) . . . . ?
C16A N4A C15A N3A -1.5(7) . . . . ?
C17A N3A C15A Pt2A 177.3(4) . . . . ?
C17A N3A C15A N4A 1.8(7) . . . . ?
C17A N3A C19A C20A -170.0(6) . . . . ?
C17A N3A C19A C28A 8.6(10) . . . . ?
C18A N4A C15A Pt2A -2.3(11) . . . . ?
C18A N4A C15A N3A 171.7(6) . . . . ?
C18A N4A C16A C17A -172.4(6) . . . . ?
C19A N3A C15A Pt2A 3.4(7) . . . . ?
C19A N3A C15A N4A -172.1(5) . . . . ?
C19A N3A C17A C16A 171.3(6) . . . . ?
C19A C20A C21A C22A 4.3(9) . . . . ?
C20A C19A C28A C27A -0.8(9) . . . . ?
C20A C21A C22A C23A 177.1(6) . . . . ?
C20A C21A C22A C27A -0.1(10) . . . . ?
C21A C22A C23A C999 -175.4(7) . . . . ?
C21A C22A C27A C26A 175.1(6) . . . . ?
C21A C22A C27A C28A -4.6(9) . . . . ?
C22A C23A C999 C25A -0.9(11) . . . . ?
C22A C27A C28A C19A 5.0(9) . . . . ?
C23A C22A C27A C26A -2.3(9) . . . . ?
C23A C22A C27A C28A 178.0(6) . . . . ?
C25A C26A C27A C22A 1.7(10) . . . . ?
C25A C26A C27A C28A -178.7(6) . . . . ?
C26A C25A C999 C23A 0.1(11) . . . . ?
C26A C27A C28A C19A -174.7(6) . . . . ?
C27A C22A C23A C999 1.9(10) . . . . ?
C28A C19A C20A Pt2A 174.5(5) . . . . ?
C28A C19A C20A C21A -4.0(9) . . . . ?
C29A N5A C30A C31A 47.7(9) . . . . ?
C29A N5A C30A C35A -133.7(8) . . . . ?
C29A N6A C36A C37A 68.5(9) . . . . ?
C29A N6A C36A C41A -108.7(8) . . . . ?
C30A N5A C29A N6A -168.5(7) . . . . ?
C30A C31A C32A C33A -2.0(12) . . . . ?
C31A C30A C35A C34A 1.5(13) . . . . ?
C31A C32A C33A C34A -0.5(15) . . . . ?
C32A C33A C34A C35A 3.5(17) . . . . ?
C33A C34A C35A C30A -4.0(16) . . . . ?
C35A C30A C31A C32A 1.5(11) . . . . ?
C36A N6A C29A N5A -166.8(7) . . . . ?
C36A C37A C38A C39A -0.3(12) . . . . ?
C37A C36A C41A C40A 0.4(12) . . . . ?
C37A C38A C39A C40A -1.2(13) . . . . ?
C38A C39A C40A C41A 2.2(15) . . . . ?
C39A C40A C41A C36A -1.8(15) . . . . ?
C41A C36A C37A C38A 0.6(11) . . . . ?
C42A N7A C43A C44A 83.8(9) . . . . ?
C42A N7A C43A C48A -102.1(9) . . . . ?
C42A N8A C49A C50A 54.7(9) . . . . ?
C42A N8A C49A C54A -122.0(7) . . . . ?
C43A N7A C42A N8A -170.9(7) . . . . ?
C43A C44A C45A C46A 0.3(15) . . . . ?
C44A C43A C48A C47A -2.6(14) . . . . ?
C44A C45A C46A C47A -1.6(16) . . . . ?
C45A C46A C47A C48A 0.8(18) . . . . ?
C46A C47A C48A C43A 1.3(17) . . . . ?
C48A C43A C44A C45A 1.8(14) . . . . ?
C49A N8A C42A N7A -172.7(7) . . . . ?
C49A C50A C51A C52A 3.7(13) . . . . ?
C50A C49A C54A C53A 0.7(11) . . . . ?
C50A C51A C52A C53A -3.1(13) . . . . ?
C51A C52A C53A C54A 1.4(13) . . . . ?
C52A C53A C54A C49A -0.2(12) . . . . ?
C54A C49A C50A C51A -2.4(12) . . . . ?
C999 C25A C26A C27A -0.5(11) . . . . ?
Pt1B N5B C29B N6B 23.0(10) . . . . ?
Pt1B N5B C30B C31B 34.8(9) . . . . ?
Pt1B N5B C30B C35B -143.8(6) . . . . ?
Pt1B N7B C42B N8B 11.1(10) . . . . ?
Pt1B N7B C43B C44B -62.1(9) . . . . ?
Pt1B N7B C43B C48B 119.7(8) . . . . ?
Pt1B C6B C14B C7B -179.4(5) . . . . ?
Pt2B N6B C29B N5B 6.6(12) . . . . ?
Pt2B N6B C36B C37B -116.7(7) . . . . ?
Pt2B N6B C36B C41B 63.8(9) . . . . ?
Pt2B N6B C36C C37C -110.7(10) . . . . ?
Pt2B N6B C36C C41C 66.4(11) . . . . ?
Pt2B N8B C42B N7B 16.0(9) . . . . ?
Pt2B N8B C49B C50B -139.7(8) . . . . ?
Pt2B N8B C49B C54B 43.8(12) . . . . ?
Pt2B C20B C21B C22B -179.3(6) . . . . ?
N1B C5B C6B Pt1B -3.6(7) . . . . ?
N1B C5B C6B C14B 174.0(6) . . . . ?
N1B C5B C13B C12B -176.2(6) . . . . ?
N2B C2B C3B N1B -0.5(7) . . . . ?
N3B C19B C20B Pt2B -5.0(8) . . . . ?
N3B C19B C20B C21B 171.2(6) . . . . ?
N3B C19B C28B C27B -174.3(7) . . . . ?
N4B C16B C17B N3B 0.4(8) . . . . ?
N5B C30B C31B C32B -176.8(7) . . . . ?
N5B C30B C35B C34B 178.5(6) . . . . ?
N6B C36B C37B C38B -179.5(10) . . . . ?
N6B C36B C41B C40B 179.4(11) . . . . ?
N6B C36C C37C C38C 176.9(12) . . . . ?
N6B C36C C41C C40C -177.3(11) . . . . ?
N7B C43B C44B C45B -179.7(7) . . . . ?
N7B C43B C48B C47B 178.6(9) . . . . ?
N8B C49B C50B C51B 177.9(10) . . . . ?
N8B C49B C54B C53B -177.7(10) . . . . ?
C1B N1B C3B C2B -0.3(7) . . . . ?
C1B N1B C5B C6B 1.8(8) . . . . ?
C1B N1B C5B C13B -178.8(6) . . . . ?
C1B N2B C2B C3B 1.2(7) . . . . ?
C2B N2B C1B Pt1B -178.0(6) . . . . ?
C2B N2B C1B N1B -1.3(7) . . . . ?
C3B N1B C1B Pt1B 178.6(4) . . . . ?
C3B N1B C1B N2B 1.0(7) . . . . ?
C3B N1B C5B C6B -175.4(6) . . . . ?
C3B N1B C5B C13B 4.0(10) . . . . ?
C4B N2B C1B Pt1B 2.0(11) . . . . ?
C4B N2B C1B N1B 178.7(6) . . . . ?
C4B N2B C2B C3B -178.8(6) . . . . ?
C5B N1B C1B Pt1B 1.0(7) . . . . ?
C5B N1B C1B N2B -176.7(5) . . . . ?
C5B N1B C3B C2B 177.0(6) . . . . ?
C5B C6B C14B C7B 3.4(9) . . . . ?
C6B C5B C13B C12B 3.1(10) . . . . ?
C7B C8B C9B C10B 3.4(11) . . . . ?
C7B C12B C13B C5B 1.1(9) . . . . ?
C8B C7B C12B C11B -1.1(9) . . . . ?
C8B C7B C12B C13B 178.1(6) . . . . ?
C8B C7B C14B C6B 179.5(6) . . . . ?
C8B C9B C10B C11B -2.2(11) . . . . ?
C9B C10B C11B C12B -0.6(11) . . . . ?
C10B C11B C12B C7B 2.3(10) . . . . ?
C10B C11B C12B C13B -176.9(6) . . . . ?
C11B C12B C13B C5B -179.6(6) . . . . ?
C12B C7B C8B C9B -1.7(10) . . . . ?
C12B C7B C14B C6B 0.6(10) . . . . ?
C13B C5B C6B Pt1B 177.0(5) . . . . ?
C13B C5B C6B C14B -5.4(10) . . . . ?
C14B C7B C8B C9B 179.3(7) . . . . ?
C14B C7B C12B C11B 177.8(6) . . . . ?
C14B C7B C12B C13B -2.9(9) . . . . ?
C15B N3B C17B C16B -0.8(8) . . . . ?
C15B N3B C19B C20B 0.7(9) . . . . ?
C15B N3B C19B C28B 179.7(7) . . . . ?
C15B N4B C16B C17B 0.2(8) . . . . ?
C16B N4B C15B Pt2B -176.6(6) . . . . ?
C16B N4B C15B N3B -0.7(8) . . . . ?
C17B N3B C15B Pt2B 177.9(5) . . . . ?
C17B N3B C15B N4B 1.0(8) . . . . ?
C17B N3B C19B C20B -171.7(7) . . . . ?
C17B N3B C19B C28B 7.2(12) . . . . ?
C18B N4B C15B Pt2B 0.0(12) . . . . ?
C18B N4B C15B N3B 175.9(6) . . . . ?
C18B N4B C16B C17B -176.5(7) . . . . ?
C19B N3B C15B Pt2B 3.9(8) . . . . ?
C19B N3B C15B N4B -173.0(6) . . . . ?
C19B N3B C17B C16B 172.1(7) . . . . ?
C19B C20B C21B C22B 5.0(11) . . . . ?
C20B C19B C28B C27B 4.5(11) . . . . ?
C20B C21B C22B C23B -179.3(7) . . . . ?
C20B C21B C22B C27B 0.6(11) . . . . ?
C21B C22B C23B C24B -179.3(8) . . . . ?
C21B C22B C27B C26B 177.1(7) . . . . ?
C21B C22B C27B C28B -3.8(11) . . . . ?
C22B C23B C24B C25B 1.9(14) . . . . ?
C22B C27B C28B C19B 1.3(11) . . . . ?
C23B C22B C27B C26B -2.9(11) . . . . ?
C23B C22B C27B C28B 176.1(7) . . . . ?
C23B C24B C25B C26B -2.3(15) . . . . ?
C24B C25B C26B C27B -0.2(14) . . . . ?
C25B C26B C27B C22B 2.7(12) . . . . ?
C25B C26B C27B C28B -176.2(8) . . . . ?
C26B C27B C28B C19B -179.8(7) . . . . ?
C27B C22B C23B C24B 0.8(12) . . . . ?
C28B C19B C20B Pt2B 176.0(5) . . . . ?
C28B C19B C20B C21B -7.8(11) . . . . ?
C29B N5B C30B C31B -141.7(7) . . . . ?
C29B N5B C30B C35B 39.7(9) . . . . ?
C29B N6B C36B C37B 61.8(11) . . . . ?
C29B N6B C36B C41B -117.6(10) . . . . ?
C29B N6B C36C C37C 46.0(11) . . . . ?
C29B N6B C36C C41C -136.9(8) . . . . ?
C30B N5B C29B N6B -160.0(8) . . . . ?
C30B C31B C32B C33B -1.2(12) . . . . ?
C31B C30B C35B C34B -0.2(10) . . . . ?
C31B C32B C33B C34B -1.0(12) . . . . ?
C32B C33B C34B C35B 2.6(12) . . . . ?
C33B C34B C35B C30B -2.0(11) . . . . ?
C35B C30B C31B C32B 1.8(11) . . . . ?
C36B N6B C29B N5B -171.8(9) . . . . ?
C36B C37B C38B C39B 0.0 . . . . ?
C37B C36B C41B C40B 0.0 . . . . ?
C37B C38B C39B C40B 0.0 . . . . ?
C38B C39B C40B C41B 0.0 . . . . ?
C39B C40B C41B C36B 0.0 . . . . ?
C41B C36B C37B C38B 0.0 . . . . ?
C36C N6B C29B N5B -152.8(9) . . . . ?
C36C C37C C38C C39C 0.0 . . . . ?
C37C C36C C41C C40C 0.0 . . . . ?
C37C C38C C39C C40C 0.0 . . . . ?
C38C C39C C40C C41C 0.0 . . . . ?
C39C C40C C41C C36C 0.0 . . . . ?
C41C C36C C37C C38C 0.0 . . . . ?
C42B N7B C43B C44B 128.9(8) . . . . ?
C42B N7B C43B C48B -49.3(10) . . . . ?
C42B N8B C49B C50B 51.4(11) . . . . ?
C42B N8B C49B C54B -125.0(10) . . . . ?
C43B N7B C42B N8B -179.8(7) . . . . ?
C43B C44B C45B C46B 2.0(14) . . . . ?
C44B C43B C48B C47B 0.4(14) . . . . ?
C44B C45B C46B C47B -1.3(14) . . . . ?
C45B C46B C47B C48B 0.2(16) . . . . ?
C46B C47B C48B C43B 0.3(16) . . . . ?
C48B C43B C44B C45B -1.4(13) . . . . ?
C49B N8B C42B N7B -174.0(7) . . . . ?
C49B C50B C51B C52B 1.9(18) . . . . ?
C50B C49B C54B C53B 5.8(15) . . . . ?
C50B C51B C52B C53B 1(2) . . . . ?
C51B C52B C53B C54B -1(2) . . . . ?
C52B C53B C54B C49B -2.8(18) . . . . ?
C54B C49B C50B C51B -5.4(16) . . . . ?

_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 0.038 -0.656 -0.656 1489.3 654.0 '16 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'


