# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_230418fp_31
_database_code_depnum_ccdc_archive 'CCDC 2311650'
loop_
_audit_author_name
_audit_author_address
'Peng Fan'
;Guangxi minzu University
China
;
_audit_update_record             
;
2023-12-02 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2023-07-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 N6 Pd Pt'
_chemical_formula_sum            'C62 H50 Cl4 N6 Pd Pt'
_chemical_formula_weight         1322.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   23.6443(6)
_cell_length_b                   16.6182(4)
_cell_length_c                   28.8904(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11351.8(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      51.96
_cell_measurement_theta_min      3.89
_shelx_estimated_absorpt_T_max   0.746
_shelx_estimated_absorpt_T_min   0.669
_exptl_absorpt_coefficient_mu    6.240
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.4845
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1293 before and 0.0807 after correction.
The Ratio of minimum to maximum transmission is 0.6453.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5248
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0836
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            69619
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.113
_diffrn_reflns_theta_min         3.884
_diffrn_ambient_temperature      213.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6292
_reflns_number_total             10818
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.892
_refine_diff_density_min         -1.168
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         10818
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0576
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0818P)²+4.0181P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1669
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C34, C35
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Uiso/Uaniso restraints and constraints
C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11),
 C12(H12), C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20),
  C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C30(H30), C31(H31),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C41(H41), C42(H42),
  C44(H44), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51),
 C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60)
4.b Fitted hexagon refined as free rotating group:
 C55(C56,C57,C58,C59,C60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.2871(3) -0.0769(4) 0.1076(2) 0.0547(18) Uani 1 1 d . . . . .
H1 H 0.268351 -0.125913 0.112849 0.066 Uiso 1 1 calc R . . . .
N1 N 0.3417(3) -0.0801(3) 0.09479(18) 0.0548(15) Uani 1 1 d . . . . .
Pd1 Pd 0.39452(2) 0.02522(3) 0.09381(2) 0.05287(18) Uani 1 1 d . . . . .
Pt1 Pt 0.28542(2) 0.09828(2) 0.08878(2) 0.05191(15) Uani 1 1 d . . . . .
C2 C 0.2026(3) -0.0187(4) 0.1317(2) 0.0515(17) Uani 1 1 d . . . . .
N2 N 0.2576(2) -0.0094(3) 0.1133(2) 0.0560(14) Uani 1 1 d . . . . .
C3 C 0.1895(3) -0.0764(4) 0.1641(2) 0.0587(19) Uani 1 1 d . . . . .
H3 H 0.218201 -0.109880 0.175850 0.070 Uiso 1 1 calc R . . . .
N3 N 0.3809(3) 0.0357(4) 0.1630(2) 0.0617(16) Uani 1 1 d . . . . .
C4 C 0.1344(4) -0.0856(4) 0.1798(3) 0.075(2) Uani 1 1 d . . . . .
H4 H 0.125713 -0.125709 0.201591 0.090 Uiso 1 1 calc R . . . .
N4 N 0.3067(3) 0.1288(4) 0.1578(2) 0.0622(15) Uani 1 1 d . . . . .
C5 C 0.0923(4) -0.0358(5) 0.1631(3) 0.086(3) Uani 1 1 d . . . . .
H5 H 0.054831 -0.042884 0.173209 0.103 Uiso 1 1 calc R . . . .
N5 N 0.4126(2) 0.0212(3) 0.0243(2) 0.0613(16) Uani 1 1 d . . . . .
C6 C 0.1046(3) 0.0231(5) 0.1325(3) 0.077(2) Uani 1 1 d . . . . .
H6 H 0.076123 0.058558 0.122565 0.092 Uiso 1 1 calc R . . . .
N6 N 0.3152(2) 0.1997(3) 0.0578(2) 0.0563(15) Uani 1 1 d . . . . .
C7 C 0.1598(3) 0.0312(4) 0.1157(3) 0.0625(19) Uani 1 1 d . . . . .
H7 H 0.167883 0.070715 0.093337 0.075 Uiso 1 1 calc R . . . .
C8 C 0.3622(3) -0.1558(4) 0.0827(2) 0.0550(18) Uani 1 1 d . . . . .
C9 C 0.3332(3) -0.2081(4) 0.0550(3) 0.066(2) Uani 1 1 d . . . . .
H9 H 0.297210 -0.193821 0.043902 0.079 Uiso 1 1 calc R . . . .
C10 C 0.3563(4) -0.2820(5) 0.0431(3) 0.084(3) Uani 1 1 d . . . . .
H10 H 0.335438 -0.318168 0.024858 0.101 Uiso 1 1 calc R . . . .
C11 C 0.4097(5) -0.3024(5) 0.0581(3) 0.093(3) Uani 1 1 d . . . . .
H11 H 0.425665 -0.351690 0.048867 0.112 Uiso 1 1 calc R . . . .
C12 C 0.4396(4) -0.2523(5) 0.0859(3) 0.082(3) Uani 1 1 d . . . . .
H12 H 0.475461 -0.267147 0.097139 0.099 Uiso 1 1 calc R . . . .
C13 C 0.4157(3) -0.1775(4) 0.0976(3) 0.070(2) Uani 1 1 d . . . . .
H13 H 0.436519 -0.141357 0.115971 0.084 Uiso 1 1 calc R . . . .
C14 C 0.3440(3) 0.0854(4) 0.1825(3) 0.0609(19) Uani 1 1 d . . . . .
H14 H 0.343943 0.090572 0.214858 0.073 Uiso 1 1 calc R . . . .
C15 C 0.2757(3) 0.1872(4) 0.1845(3) 0.0613(19) Uani 1 1 d . . . . .
C16 C 0.2982(4) 0.2227(4) 0.2234(3) 0.072(2) Uani 1 1 d . . . . .
H16 H 0.335772 0.211859 0.232036 0.087 Uiso 1 1 calc R . . . .
C17 C 0.2647(5) 0.2754(5) 0.2504(3) 0.092(3) Uani 1 1 d . . . . .
H17 H 0.279134 0.296173 0.278303 0.110 Uiso 1 1 calc R . . . .
C18 C 0.2121(5) 0.2961(5) 0.2363(4) 0.096(3) Uani 1 1 d . . . . .
H18 H 0.190851 0.332918 0.253808 0.115 Uiso 1 1 calc R . . . .
C19 C 0.1893(4) 0.2636(5) 0.1964(3) 0.086(3) Uani 1 1 d . . . . .
H19 H 0.152667 0.277837 0.186854 0.103 Uiso 1 1 calc R . . . .
C20 C 0.2217(3) 0.2088(5) 0.1702(3) 0.072(2) Uani 1 1 d . . . . .
H20 H 0.206578 0.186691 0.142920 0.086 Uiso 1 1 calc R . . . .
C21 C 0.4151(4) -0.0095(4) 0.1932(3) 0.068(2) Uani 1 1 d . . . . .
C22 C 0.3928(4) -0.0430(5) 0.2332(3) 0.087(3) Uani 1 1 d . . . . .
H22 H 0.354689 -0.034109 0.240737 0.104 Uiso 1 1 calc R . . . .
C23 C 0.4275(6) -0.0910(6) 0.2630(4) 0.111(3) Uani 1 1 d . . . . .
H23 H 0.412158 -0.114339 0.289809 0.133 Uiso 1 1 calc R . . . .
C24 C 0.4817(6) -0.1021(6) 0.2522(5) 0.115(4) Uani 1 1 d . . . . .
H24 H 0.504946 -0.133246 0.271605 0.138 Uiso 1 1 calc R . . . .
C25 C 0.5029(4) -0.0696(7) 0.2145(5) 0.113(3) Uani 1 1 d . . . . .
H25 H 0.541178 -0.078997 0.207718 0.135 Uiso 1 1 calc R . . . .
C26 C 0.4711(4) -0.0210(5) 0.1834(3) 0.089(3) Uani 1 1 d . . . . .
H26 H 0.487990 0.002233 0.157105 0.106 Uiso 1 1 calc R . . . .
C27 C 0.4456(3) 0.0840(5) 0.0099(3) 0.073(2) Uani 1 1 d . . . . .
C28 C 0.4634(3) 0.1409(4) 0.0460(3) 0.071(2) Uani 1 1 d . . . . .
C29 C 0.4445(3) 0.1210(5) 0.0902(3) 0.070(2) Uani 1 1 d . . . . .
C30 C 0.4592(4) 0.1733(5) 0.1276(3) 0.084(3) Uani 1 1 d . . . . .
H30 H 0.446989 0.161429 0.157801 0.101 Uiso 1 1 calc R . . . .
C31 C 0.4910(5) 0.2404(6) 0.1195(4) 0.117(4) Uani 1 1 d . . . . .
H31 H 0.499448 0.276033 0.143815 0.140 Uiso 1 1 calc R . . . .
C32 C 0.5107(5) 0.2554(6) 0.0755(5) 0.127(4) Uani 1 1 d . . . . .
H32 H 0.534757 0.299637 0.070703 0.152 Uiso 1 1 calc R . . . .
C33 C 0.4961(4) 0.2070(5) 0.0377(4) 0.097(3) Uani 1 1 d . . . . .
H33 H 0.508409 0.219634 0.007626 0.117 Uiso 1 1 calc R . . . .
C34 C 0.4588(4) 0.0907(5) -0.0376(3) 0.089(3) Uani 1 1 d . U . . .
H34 H 0.481010 0.133719 -0.048349 0.107 Uiso 1 1 calc R . . . .
C35 C 0.4393(4) 0.0350(6) -0.0671(3) 0.088(3) Uani 1 1 d . U . . .
H35 H 0.448381 0.038743 -0.098746 0.106 Uiso 1 1 calc R . . . .
C36 C 0.4052(3) -0.0292(5) -0.0514(3) 0.079(2) Uani 1 1 d . . . . .
H36 H 0.390882 -0.067798 -0.072092 0.095 Uiso 1 1 calc R . . . .
C37 C 0.3939(3) -0.0334(4) -0.0058(3) 0.063(2) Uani 1 1 d . . . . .
H37 H 0.372000 -0.076561 0.005264 0.076 Uiso 1 1 calc R . . . .
C38 C 0.3168(3) 0.1962(4) 0.0105(2) 0.0507(17) Uani 1 1 d . . . . .
C39 C 0.2912(3) 0.1239(4) -0.0090(3) 0.0541(18) Uani 1 1 d . . . . .
C40 C 0.2710(3) 0.0692(4) 0.0240(2) 0.0502(17) Uani 1 1 d . . . . .
C41 C 0.2460(3) -0.0007(4) 0.0070(3) 0.066(2) Uani 1 1 d . . . . .
H41 H 0.230300 -0.038028 0.027848 0.079 Uiso 1 1 calc R . . . .
C42 C 0.2441(3) -0.0164(4) -0.0410(3) 0.074(2) Uani 1 1 d . . . . .
H42 H 0.227644 -0.064735 -0.051270 0.089 Uiso 1 1 calc R . . . .
C43 C 0.2652(3) 0.0362(5) -0.0732(3) 0.066(2) Uani 1 1 d . . . . .
C44 C 0.2883(3) 0.1064(4) -0.0568(3) 0.064(2) Uani 1 1 d . . . . .
H44 H 0.302752 0.144007 -0.078083 0.076 Uiso 1 1 calc R . . . .
C45 C 0.2642(4) 0.0167(5) -0.1229(3) 0.074(2) Uani 1 1 d . . . . .
C46 C 0.3069(4) 0.0413(5) -0.1536(3) 0.091(3) Uani 1 1 d . . . . .
H46 H 0.336380 0.073723 -0.142215 0.109 Uiso 1 1 calc R . . . .
C47 C 0.3073(6) 0.0200(6) -0.1994(3) 0.116(4) Uani 1 1 d . . . . .
H47 H 0.336958 0.037646 -0.218512 0.139 Uiso 1 1 calc R . . . .
C48 C 0.2668(6) -0.0247(7) -0.2170(4) 0.127(4) Uani 1 1 d . . . . .
H48 H 0.267813 -0.039957 -0.248287 0.153 Uiso 1 1 calc R . . . .
C49 C 0.2227(5) -0.0488(8) -0.1888(4) 0.132(4) Uani 1 1 d . . . . .
H49 H 0.193295 -0.080272 -0.201156 0.159 Uiso 1 1 calc R . . . .
C50 C 0.2216(5) -0.0270(6) -0.1425(4) 0.113(3) Uani 1 1 d . . . . .
H50 H 0.190762 -0.042810 -0.124130 0.135 Uiso 1 1 calc R . . . .
C51 C 0.3419(3) 0.2579(4) -0.0137(2) 0.0593(18) Uani 1 1 d . . . . .
H51 H 0.342138 0.256060 -0.046217 0.071 Uiso 1 1 calc R . . . .
C52 C 0.3670(3) 0.3235(4) 0.0087(3) 0.0595(18) Uani 1 1 d . . . . .
C53 C 0.3633(3) 0.3250(4) 0.0557(3) 0.065(2) Uani 1 1 d . . . . .
H53 H 0.378215 0.368927 0.072194 0.078 Uiso 1 1 calc R . . . .
C54 C 0.3379(3) 0.2628(4) 0.0795(3) 0.063(2) Uani 1 1 d . . . . .
H54 H 0.336509 0.264857 0.111990 0.076 Uiso 1 1 calc R . . . .
C55 C 0.3978(3) 0.3863(3) -0.0191(2) 0.096(3) Uani 1 1 d . U . . .
C56 C 0.4174(3) 0.3694(3) -0.0634(2) 0.127(3) Uani 1 1 d G U . . .
H56 H 0.412730 0.317601 -0.075948 0.152 Uiso 1 1 calc R . . . .
C57 C 0.4439(4) 0.4291(4) -0.0892(2) 0.144(3) Uani 1 1 d G U . . .
H57 H 0.457127 0.417686 -0.119188 0.173 Uiso 1 1 calc R . . . .
C58 C 0.4508(4) 0.5057(4) -0.0707(3) 0.153(3) Uani 1 1 d G U . . .
H58 H 0.468666 0.546053 -0.088156 0.183 Uiso 1 1 calc R . . . .
C59 C 0.4312(4) 0.5225(3) -0.0264(3) 0.174(4) Uani 1 1 d G U . . .
H59 H 0.435808 0.574335 -0.013883 0.209 Uiso 1 1 calc R . . . .
C60 C 0.4047(3) 0.4628(4) -0.0006(2) 0.148(3) Uani 1 1 d G U . . .
H60 H 0.391412 0.474251 0.029359 0.177 Uiso 1 1 calc R . . . .


_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
C1 H1 0.9400 . ?
C1 N1 1.345(8) . ?
C1 N2 1.331(8) . ?
N1 Pd1 2.149(5) . ?
N1 C8 1.393(8) . ?
Pd1 Pt1 2.8548(6) . ?
Pd1 N3 2.033(6) . ?
Pd1 N5 2.054(6) . ?
Pd1 C29 1.986(8) . ?
Pt1 N2 2.034(5) . ?
Pt1 N4 2.118(6) . ?
Pt1 N6 2.034(5) . ?
Pt1 C40 1.963(7) . ?
C2 N2 1.413(8) . ?
C2 C3 1.376(9) . ?
C2 C7 1.389(9) . ?
C3 H3 0.9400 . ?
C3 C4 1.388(10) . ?
N3 C14 1.327(8) . ?
N3 C21 1.406(9) . ?
C4 H4 0.9400 . ?
C4 C5 1.381(10) . ?
N4 C14 1.343(9) . ?
N4 C15 1.441(9) . ?
C5 H5 0.9400 . ?
C5 C6 1.351(10) . ?
N5 C27 1.368(8) . ?
N5 C37 1.331(8) . ?
C6 H6 0.9400 . ?
C6 C7 1.399(9) . ?
N6 C38 1.369(8) . ?
N6 C54 1.335(8) . ?
C7 H7 0.9400 . ?
C8 C9 1.364(9) . ?
C8 C13 1.385(10) . ?
C9 H9 0.9400 . ?
C9 C10 1.387(10) . ?
C10 H10 0.9400 . ?
C10 C11 1.378(12) . ?
C11 H11 0.9400 . ?
C11 C12 1.357(12) . ?
C12 H12 0.9400 . ?
C12 C13 1.407(10) . ?
C13 H13 0.9400 . ?
C14 H14 0.9400 . ?
C15 C16 1.376(10) . ?
C15 C20 1.390(10) . ?
C16 H16 0.9400 . ?
C16 C17 1.415(11) . ?
C17 H17 0.9400 . ?
C17 C18 1.354(12) . ?
C18 H18 0.9400 . ?
C18 C19 1.382(12) . ?
C19 H19 0.9400 . ?
C19 C20 1.409(10) . ?
C20 H20 0.9400 . ?
C21 C22 1.386(11) . ?
C21 C26 1.368(11) . ?
C22 H22 0.9400 . ?
C22 C23 1.431(13) . ?
C23 H23 0.9400 . ?
C23 C24 1.333(15) . ?
C24 H24 0.9400 . ?
C24 C25 1.314(14) . ?
C25 H25 0.9400 . ?
C25 C26 1.422(12) . ?
C26 H26 0.9400 . ?
C27 C28 1.471(11) . ?
C27 C34 1.410(11) . ?
C28 C29 1.394(10) . ?
C28 C33 1.365(10) . ?
C29 C30 1.428(10) . ?
C30 H30 0.9400 . ?
C30 C31 1.365(12) . ?
C31 H31 0.9400 . ?
C31 C32 1.376(14) . ?
C32 H32 0.9400 . ?
C32 C33 1.400(13) . ?
C33 H33 0.9400 . ?
C34 H34 0.9400 . ?
C34 C35 1.342(11) . ?
C35 H35 0.9400 . ?
C35 C36 1.412(11) . ?
C36 H36 0.9400 . ?
C36 C37 1.346(10) . ?
C37 H37 0.9400 . ?
C38 C39 1.458(9) . ?
C38 C51 1.376(8) . ?
C39 C40 1.400(10) . ?
C39 C44 1.414(10) . ?
C40 C41 1.393(9) . ?
C41 H41 0.9400 . ?
C41 C42 1.413(10) . ?
C42 H42 0.9400 . ?
C42 C43 1.371(10) . ?
C43 C44 1.373(9) . ?
C43 C45 1.472(11) . ?
C44 H44 0.9400 . ?
C45 C46 1.404(11) . ?
C45 C50 1.364(11) . ?
C46 H46 0.9400 . ?
C46 C47 1.370(12) . ?
C47 H47 0.9400 . ?
C47 C48 1.314(14) . ?
C48 H48 0.9400 . ?
C48 C49 1.382(14) . ?
C49 H49 0.9400 . ?
C49 C50 1.387(13) . ?
C50 H50 0.9400 . ?
C51 H51 0.9400 . ?
C51 C52 1.399(9) . ?
C52 C53 1.362(9) . ?
C52 C55 1.505(8) . ?
C53 H53 0.9400 . ?
C53 C54 1.379(9) . ?
C54 H54 0.9400 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 H56 0.9400 . ?
C56 C57 1.3900 . ?
C57 H57 0.9400 . ?
C57 C58 1.3900 . ?
C58 H58 0.9400 . ?
C58 C59 1.3900 . ?
C59 H59 0.9400 . ?
C59 C60 1.3900 . ?
C60 H60 0.9400 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 H1 117.6 . . ?
N2 C1 H1 117.6 . . ?
N2 C1 N1 124.8(6) . . ?
C1 N1 Pd1 122.0(5) . . ?
C1 N1 C8 115.9(6) . . ?
C8 N1 Pd1 122.1(5) . . ?
N1 Pd1 Pt1 79.75(16) . . ?
N3 Pd1 N1 88.0(2) . . ?
N3 Pd1 Pt1 82.58(18) . . ?
N3 Pd1 N5 175.8(2) . . ?
N5 Pd1 N1 96.1(2) . . ?
N5 Pd1 Pt1 98.76(15) . . ?
C29 Pd1 N1 177.5(3) . . ?
C29 Pd1 Pt1 101.2(2) . . ?
C29 Pd1 N3 94.4(3) . . ?
C29 Pd1 N5 81.5(3) . . ?
N2 Pt1 Pd1 84.29(16) . . ?
N2 Pt1 N4 87.7(2) . . ?
N4 Pt1 Pd1 80.74(17) . . ?
N6 Pt1 Pd1 93.57(15) . . ?
N6 Pt1 N2 173.8(2) . . ?
N6 Pt1 N4 97.7(2) . . ?
C40 Pt1 Pd1 95.79(18) . . ?
C40 Pt1 N2 93.4(3) . . ?
C40 Pt1 N4 176.2(2) . . ?
C40 Pt1 N6 81.0(3) . . ?
C3 C2 N2 122.7(6) . . ?
C3 C2 C7 118.7(6) . . ?
C7 C2 N2 118.7(6) . . ?
C1 N2 Pt1 121.9(5) . . ?
C1 N2 C2 115.9(6) . . ?
C2 N2 Pt1 121.7(4) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(7) . . ?
C4 C3 H3 119.7 . . ?
C14 N3 Pd1 125.0(5) . . ?
C14 N3 C21 116.7(6) . . ?
C21 N3 Pd1 118.2(5) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(7) . . ?
C5 C4 H4 120.1 . . ?
C14 N4 Pt1 121.8(5) . . ?
C14 N4 C15 114.3(6) . . ?
C15 N4 Pt1 123.0(5) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.5(7) . . ?
C6 C5 H5 119.8 . . ?
C27 N5 Pd1 113.1(6) . . ?
C37 N5 Pd1 126.2(5) . . ?
C37 N5 C27 120.7(7) . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 119.9(7) . . ?
C7 C6 H6 120.0 . . ?
C38 N6 Pt1 114.5(4) . . ?
C54 N6 Pt1 125.7(5) . . ?
C54 N6 C38 119.4(6) . . ?
C2 C7 C6 120.4(7) . . ?
C2 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C9 C8 N1 123.3(7) . . ?
C9 C8 C13 118.4(7) . . ?
C13 C8 N1 118.2(7) . . ?
C8 C9 H9 119.6 . . ?
C8 C9 C10 120.7(8) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(8) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(8) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 120.8 . . ?
C11 C12 C13 118.4(9) . . ?
C13 C12 H12 120.8 . . ?
C8 C13 C12 121.5(8) . . ?
C8 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
N3 C14 N4 122.8(7) . . ?
N3 C14 H14 118.6 . . ?
N4 C14 H14 118.6 . . ?
C16 C15 N4 122.0(7) . . ?
C16 C15 C20 119.2(7) . . ?
C20 C15 N4 118.8(7) . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0(9) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.3(9) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.7(9) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.4 . . ?
C18 C19 C20 119.3(9) . . ?
C20 C19 H19 120.4 . . ?
C15 C20 C19 120.4(8) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 N3 120.8(8) . . ?
C26 C21 N3 120.2(8) . . ?
C26 C21 C22 119.0(8) . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.5(10) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.2(11) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.1(11) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 118.1 . . ?
C24 C25 C26 123.8(11) . . ?
C26 C25 H25 118.1 . . ?
C21 C26 C25 117.3(9) . . ?
C21 C26 H26 121.3 . . ?
C25 C26 H26 121.3 . . ?
N5 C27 C28 116.0(7) . . ?
N5 C27 C34 118.9(8) . . ?
C34 C27 C28 125.1(8) . . ?
C29 C28 C27 114.0(7) . . ?
C33 C28 C27 123.8(9) . . ?
C33 C28 C29 122.2(9) . . ?
C28 C29 Pd1 115.3(6) . . ?
C28 C29 C30 118.1(7) . . ?
C30 C29 Pd1 126.4(6) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.1(9) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.3 . . ?
C30 C31 C32 119.5(10) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 118.9 . . ?
C31 C32 C33 122.2(10) . . ?
C33 C32 H32 118.9 . . ?
C28 C33 C32 117.7(9) . . ?
C28 C33 H33 121.1 . . ?
C32 C33 H33 121.1 . . ?
C27 C34 H34 120.4 . . ?
C35 C34 C27 119.2(9) . . ?
C35 C34 H34 120.4 . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 120.8(9) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 121.0 . . ?
C37 C36 C35 117.9(8) . . ?
C37 C36 H36 121.0 . . ?
N5 C37 C36 122.5(7) . . ?
N5 C37 H37 118.8 . . ?
C36 C37 H37 118.8 . . ?
N6 C38 C39 114.1(6) . . ?
N6 C38 C51 119.2(6) . . ?
C51 C38 C39 126.7(7) . . ?
C40 C39 C38 114.4(6) . . ?
C40 C39 C44 121.0(7) . . ?
C44 C39 C38 124.5(7) . . ?
C39 C40 Pt1 115.5(5) . . ?
C41 C40 Pt1 127.8(5) . . ?
C41 C40 C39 116.6(7) . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.8(7) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 118.8 . . ?
C43 C42 C41 122.5(7) . . ?
C43 C42 H42 118.8 . . ?
C42 C43 C44 116.9(7) . . ?
C42 C43 C45 121.0(7) . . ?
C44 C43 C45 122.0(7) . . ?
C39 C44 H44 119.0 . . ?
C43 C44 C39 122.1(7) . . ?
C43 C44 H44 119.0 . . ?
C46 C45 C43 122.6(8) . . ?
C50 C45 C43 122.3(9) . . ?
C50 C45 C46 115.1(9) . . ?
C45 C46 H46 118.7 . . ?
C47 C46 C45 122.6(9) . . ?
C47 C46 H46 118.7 . . ?
C46 C47 H47 119.5 . . ?
C48 C47 C46 121.0(11) . . ?
C48 C47 H47 119.5 . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.1(10) . . ?
C49 C48 H48 120.4 . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.4(10) . . ?
C50 C49 H49 119.8 . . ?
C45 C50 C49 121.7(10) . . ?
C45 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C38 C51 H51 119.0 . . ?
C38 C51 C52 121.9(7) . . ?
C52 C51 H51 119.0 . . ?
C51 C52 C55 119.9(7) . . ?
C53 C52 C51 116.7(6) . . ?
C53 C52 C55 123.4(7) . . ?
C52 C53 H53 119.6 . . ?
C52 C53 C54 120.7(7) . . ?
C54 C53 H53 119.6 . . ?
N6 C54 C53 122.1(7) . . ?
N6 C54 H54 119.0 . . ?
C53 C54 H54 119.0 . . ?
C56 C55 C52 120.9(5) . . ?
C56 C55 C60 120.0 . . ?
C60 C55 C52 119.1(5) . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C60 C59 C58 120.0 . . ?
C60 C59 H59 120.0 . . ?
C55 C60 H60 120.0 . . ?
C59 C60 C55 120.0 . . ?
C59 C60 H60 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 C8 C9 44.5(9) . . . . ?
C1 N1 C8 C13 -138.8(7) . . . . ?
N1 C1 N2 Pt1 14.9(10) . . . . ?
N1 C1 N2 C2 -173.3(6) . . . . ?
N1 C8 C9 C10 178.3(6) . . . . ?
N1 C8 C13 C12 -178.6(6) . . . . ?
Pd1 N1 C8 C9 -136.1(6) . . . . ?
Pd1 N1 C8 C13 40.6(8) . . . . ?
Pd1 N3 C14 N4 7.5(10) . . . . ?
Pd1 N3 C21 C22 -142.8(6) . . . . ?
Pd1 N3 C21 C26 37.1(9) . . . . ?
Pd1 N5 C27 C28 1.8(8) . . . . ?
Pd1 N5 C27 C34 -176.9(6) . . . . ?
Pd1 N5 C37 C36 176.2(6) . . . . ?
Pd1 C29 C30 C31 -175.5(7) . . . . ?
Pt1 N4 C14 N3 18.8(9) . . . . ?
Pt1 N4 C15 C16 -161.6(5) . . . . ?
Pt1 N4 C15 C20 17.9(9) . . . . ?
Pt1 N6 C38 C39 6.4(7) . . . . ?
Pt1 N6 C38 C51 -173.0(5) . . . . ?
Pt1 N6 C54 C53 172.0(5) . . . . ?
Pt1 C40 C41 C42 -173.2(6) . . . . ?
C2 C3 C4 C5 -0.9(12) . . . . ?
N2 C1 N1 Pd1 11.7(10) . . . . ?
N2 C1 N1 C8 -168.9(7) . . . . ?
N2 C2 C3 C4 -177.1(7) . . . . ?
N2 C2 C7 C6 179.0(7) . . . . ?
C3 C2 N2 C1 35.0(10) . . . . ?
C3 C2 N2 Pt1 -153.2(5) . . . . ?
C3 C2 C7 C6 0.4(11) . . . . ?
C3 C4 C5 C6 -1.4(13) . . . . ?
N3 C21 C22 C23 178.1(7) . . . . ?
N3 C21 C26 C25 -177.9(7) . . . . ?
C4 C5 C6 C7 3.3(13) . . . . ?
N4 C15 C16 C17 -175.5(6) . . . . ?
N4 C15 C20 C19 177.7(6) . . . . ?
C5 C6 C7 C2 -2.8(12) . . . . ?
N5 C27 C28 C29 1.0(10) . . . . ?
N5 C27 C28 C33 -179.7(7) . . . . ?
N5 C27 C34 C35 -0.7(12) . . . . ?
N6 C38 C39 C40 -2.1(8) . . . . ?
N6 C38 C39 C44 -179.3(6) . . . . ?
N6 C38 C51 C52 1.5(10) . . . . ?
C7 C2 N2 C1 -143.6(7) . . . . ?
C7 C2 N2 Pt1 28.3(9) . . . . ?
C7 C2 C3 C4 1.4(11) . . . . ?
C8 C9 C10 C11 -2.0(12) . . . . ?
C9 C8 C13 C12 -1.8(11) . . . . ?
C9 C10 C11 C12 2.5(13) . . . . ?
C10 C11 C12 C13 -2.6(13) . . . . ?
C11 C12 C13 C8 2.2(11) . . . . ?
C13 C8 C9 C10 1.6(11) . . . . ?
C14 N3 C21 C22 40.7(10) . . . . ?
C14 N3 C21 C26 -139.4(7) . . . . ?
C14 N4 C15 C16 29.2(9) . . . . ?
C14 N4 C15 C20 -151.4(7) . . . . ?
C15 N4 C14 N3 -171.8(6) . . . . ?
C15 C16 C17 C18 -5.1(12) . . . . ?
C16 C15 C20 C19 -2.8(11) . . . . ?
C16 C17 C18 C19 2.7(13) . . . . ?
C17 C18 C19 C20 -0.4(13) . . . . ?
C18 C19 C20 C15 0.4(12) . . . . ?
C20 C15 C16 C17 5.0(11) . . . . ?
C21 N3 C14 N4 -176.3(7) . . . . ?
C21 C22 C23 C24 1.0(15) . . . . ?
C22 C21 C26 C25 2.1(12) . . . . ?
C22 C23 C24 C25 -0.3(17) . . . . ?
C23 C24 C25 C26 0.6(18) . . . . ?
C24 C25 C26 C21 -1.5(15) . . . . ?
C26 C21 C22 C23 -1.9(12) . . . . ?
C27 N5 C37 C36 -1.3(11) . . . . ?
C27 C28 C29 Pd1 -3.5(9) . . . . ?
C27 C28 C29 C30 -179.3(7) . . . . ?
C27 C28 C33 C32 -179.0(8) . . . . ?
C27 C34 C35 C36 0.9(13) . . . . ?
C28 C27 C34 C35 -179.3(8) . . . . ?
C28 C29 C30 C31 -0.1(13) . . . . ?
C29 C28 C33 C32 0.2(13) . . . . ?
C29 C30 C31 C32 -2.7(15) . . . . ?
C30 C31 C32 C33 4.4(17) . . . . ?
C31 C32 C33 C28 -3.2(16) . . . . ?
C33 C28 C29 Pd1 177.2(6) . . . . ?
C33 C28 C29 C30 1.4(12) . . . . ?
C34 C27 C28 C29 179.6(7) . . . . ?
C34 C27 C28 C33 -1.1(13) . . . . ?
C34 C35 C36 C37 -1.2(12) . . . . ?
C35 C36 C37 N5 1.4(12) . . . . ?
C37 N5 C27 C28 179.6(6) . . . . ?
C37 N5 C27 C34 0.9(10) . . . . ?
C38 N6 C54 C53 -0.2(10) . . . . ?
C38 C39 C40 Pt1 -3.4(7) . . . . ?
C38 C39 C40 C41 179.9(6) . . . . ?
C38 C39 C44 C43 177.9(7) . . . . ?
C38 C51 C52 C53 -2.7(10) . . . . ?
C38 C51 C52 C55 175.2(6) . . . . ?
C39 C38 C51 C52 -177.8(6) . . . . ?
C39 C40 C41 C42 3.0(10) . . . . ?
C40 C39 C44 C43 0.9(11) . . . . ?
C40 C41 C42 C43 -1.3(12) . . . . ?
C41 C42 C43 C44 -0.6(12) . . . . ?
C41 C42 C43 C45 177.9(7) . . . . ?
C42 C43 C44 C39 0.8(11) . . . . ?
C42 C43 C45 C46 -146.0(9) . . . . ?
C42 C43 C45 C50 33.7(13) . . . . ?
C43 C45 C46 C47 176.9(9) . . . . ?
C43 C45 C50 C49 -176.3(10) . . . . ?
C44 C39 C40 Pt1 173.9(5) . . . . ?
C44 C39 C40 C41 -2.8(10) . . . . ?
C44 C43 C45 C46 32.5(12) . . . . ?
C44 C43 C45 C50 -147.8(9) . . . . ?
C45 C43 C44 C39 -177.7(7) . . . . ?
C45 C46 C47 C48 0.5(17) . . . . ?
C46 C45 C50 C49 3.4(15) . . . . ?
C46 C47 C48 C49 1.4(19) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C48 C49 C50 C45 -1.8(19) . . . . ?
C50 C45 C46 C47 -2.9(14) . . . . ?
C51 C38 C39 C40 177.3(6) . . . . ?
C51 C38 C39 C44 0.1(11) . . . . ?
C51 C52 C53 C54 2.5(10) . . . . ?
C51 C52 C55 C56 -20.4(9) . . . . ?
C51 C52 C55 C60 157.2(6) . . . . ?
C52 C53 C54 N6 -1.1(11) . . . . ?
C52 C55 C56 C57 177.6(7) . . . . ?
C52 C55 C60 C59 -177.6(7) . . . . ?
C53 C52 C55 C56 157.4(6) . . . . ?
C53 C52 C55 C60 -25.0(9) . . . . ?
C54 N6 C38 C39 179.4(6) . . . . ?
C54 N6 C38 C51 -0.1(9) . . . . ?
C55 C52 C53 C54 -175.4(6) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C60 C55 C56 C57 0.0 . . . . ?

_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 0.090 0.214 0.250 717.7 211.8 '4 DCM'
2 -0.682 -0.214 0.750 717.7 219.4 '4 DCM'
3 -0.414 0.286 0.750 717.7 217.7 '4 DCM'
4 -0.164 0.714 0.250 717.7 213.6 '4 DCM'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_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_230418fp_26
_database_code_depnum_ccdc_archive 'CCDC 2311651'
loop_
_audit_author_name
_audit_author_address
'Peng Fan'
;Guangxi minzu University
China
;
_audit_update_record             
;
2023-12-02 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2023-10-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H46 N6 Pd Pt, C H2 Cl2, 1[CH2Cl2]'
_chemical_formula_sum            'C62 H50 Cl4 N6 Pd Pt'
_chemical_formula_weight         1322.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   23.5541(6)
_cell_length_b                   16.6473(4)
_cell_length_c                   28.8957(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11330.4(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      54.87
_cell_measurement_theta_min      3.89
_shelx_estimated_absorpt_T_max   0.745
_shelx_estimated_absorpt_T_min   0.669
_exptl_absorpt_coefficient_mu    6.252
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.3958
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1757 before and 0.0966 after correction.
The Ratio of minimum to maximum transmission is 0.5272.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5248
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0928
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            114253
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.996
_diffrn_reflns_theta_min         3.884
_diffrn_ambient_temperature      213.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8256
_reflns_number_total             10778
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.022
_refine_diff_density_min         -1.420
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         10778
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0754P)²+24.2693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1491
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
C44 \\sim C49 \\sim C48 \\sim C47 \\sim C46 \\sim C45: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
C1 C 0.2115(3) 0.5753(3) 0.1097(2) 0.0475(14) Uani 1 1 d . . . . .
H1 H 0.229668 0.624466 0.115733 0.057 Uiso 1 1 calc R . . . .
N1 N 0.2419(2) 0.5091(3) 0.11477(17) 0.0453(11) Uani 1 1 d . . . . .
Pd1 Pd 0.21404(2) 0.40043(2) 0.09099(2) 0.04161(13) Uani 1 1 d . . . . .
Pt1 Pt 0.10442(2) 0.47331(2) 0.09531(2) 0.04622(11) Uani 1 1 d . . . . .
C2 C 0.1361(3) 0.6536(4) 0.0848(2) 0.0518(15) Uani 1 1 d . . . . .
N2 N 0.1575(2) 0.5779(3) 0.09684(16) 0.0460(11) Uani 1 1 d . . . . .
C3 C 0.1651(3) 0.7066(4) 0.0572(2) 0.0566(16) Uani 1 1 d . . . . .
H3 H 0.201610 0.692301 0.046986 0.068 Uiso 1 1 calc R . . . .
N3 N 0.1918(2) 0.3692(3) 0.16049(17) 0.0513(12) Uani 1 1 d . . . . .
C4 C 0.1434(3) 0.7794(4) 0.0439(3) 0.0690(19) Uani 1 1 d . . . . .
H4 H 0.164675 0.813675 0.024719 0.083 Uiso 1 1 calc R . . . .
N4 N 0.1179(2) 0.4633(3) 0.16449(18) 0.0521(12) Uani 1 1 d . . . . .
C5 C 0.0901(4) 0.8022(4) 0.0590(3) 0.075(2) Uani 1 1 d . . . . .
H5 H 0.074612 0.852077 0.050426 0.090 Uiso 1 1 calc R . . . .
N5 N 0.18504(19) 0.2988(3) 0.05966(16) 0.0450(11) Uani 1 1 d . . . . .
C6 C 0.0601(3) 0.7503(4) 0.0869(3) 0.068(2) Uani 1 1 d . . . . .
H6 H 0.023732 0.765250 0.097262 0.081 Uiso 1 1 calc R . . . .
N6 N 0.0869(2) 0.4759(3) 0.02681(19) 0.0505(12) Uani 1 1 d . . . . .
C7 C 0.0821(3) 0.6770(4) 0.1001(2) 0.0622(17) Uani 1 1 d . . . . .
H7 H 0.060875 0.642669 0.119286 0.075 Uiso 1 1 calc R . . . .
C8 C 0.2978(2) 0.5178(3) 0.1328(2) 0.0462(13) Uani 1 1 d . . . . .
C9 C 0.3111(3) 0.5761(3) 0.1657(2) 0.0498(14) Uani 1 1 d . . . . .
H9 H 0.282609 0.609454 0.177866 0.060 Uiso 1 1 calc R . . . .
C10 C 0.3670(3) 0.5845(4) 0.1802(2) 0.0650(18) Uani 1 1 d . . . . .
H10 H 0.376371 0.625569 0.201172 0.078 Uiso 1 1 calc R . . . .
C11 C 0.4095(3) 0.5332(4) 0.1642(3) 0.072(2) Uani 1 1 d . . . . .
H11 H 0.447053 0.538122 0.174774 0.087 Uiso 1 1 calc R . . . .
C12 C 0.3948(3) 0.4756(4) 0.1330(3) 0.0633(19) Uani 1 1 d . . . . .
H12 H 0.423018 0.440905 0.121584 0.076 Uiso 1 1 calc R . . . .
C13 C 0.3400(3) 0.4668(3) 0.1175(2) 0.0520(15) Uani 1 1 d . . . . .
H13 H 0.331161 0.425739 0.096363 0.062 Uiso 1 1 calc R . . . .
C14 C 0.1545(3) 0.4135(4) 0.1834(2) 0.0527(15) Uani 1 1 d . . . . .
H14 H 0.154148 0.408873 0.215832 0.063 Uiso 1 1 calc R . . . .
C15 C 0.0845(3) 0.5107(4) 0.1953(2) 0.0608(17) Uani 1 1 d . . . . .
C16 C 0.1077(3) 0.5457(4) 0.2333(3) 0.071(2) Uani 1 1 d . . . . .
H16 H 0.146529 0.539324 0.239866 0.085 Uiso 1 1 calc R . . . .
C17 C 0.0729(5) 0.5919(5) 0.2629(3) 0.098(3) Uani 1 1 d . . . . .
H17 H 0.088374 0.614783 0.289828 0.118 Uiso 1 1 calc R . . . .
C18 C 0.0170(5) 0.6036(5) 0.2527(4) 0.102(3) Uani 1 1 d . . . . .
H18 H -0.005605 0.635832 0.272030 0.122 Uiso 1 1 calc R . . . .
C19 C -0.0060(4) 0.5686(6) 0.2146(3) 0.094(3) Uani 1 1 d . . . . .
H19 H -0.044726 0.575800 0.207992 0.113 Uiso 1 1 calc R . . . .
C20 C 0.0269(3) 0.5230(5) 0.1857(3) 0.076(2) Uani 1 1 d . . . . .
H20 H 0.010688 0.499807 0.159163 0.091 Uiso 1 1 calc R . . . .
C21 C 0.2226(3) 0.3119(3) 0.1873(2) 0.0543(16) Uani 1 1 d . . . . .
C22 C 0.2002(3) 0.2765(4) 0.2265(2) 0.0650(18) Uani 1 1 d . . . . .
H22 H 0.162794 0.287684 0.235817 0.078 Uiso 1 1 calc R . . . .
C23 C 0.2342(5) 0.2237(4) 0.2523(3) 0.087(3) Uani 1 1 d . . . . .
H23 H 0.219946 0.201922 0.279957 0.105 Uiso 1 1 calc R . . . .
C24 C 0.2870(4) 0.2034(5) 0.2382(3) 0.084(2) Uani 1 1 d . . . . .
H24 H 0.309049 0.168066 0.256036 0.100 Uiso 1 1 calc R . . . .
C25 C 0.3079(4) 0.2338(4) 0.1986(3) 0.079(2) Uani 1 1 d . . . . .
H25 H 0.344139 0.218254 0.188306 0.094 Uiso 1 1 calc R . . . .
C26 C 0.2757(3) 0.2890(4) 0.1724(2) 0.0646(18) Uani 1 1 d . . . . .
H26 H 0.290563 0.310117 0.144736 0.078 Uiso 1 1 calc R . . . .
C27 C 0.1834(2) 0.3022(3) 0.0130(2) 0.0439(13) Uani 1 1 d . . . . .
C28 C 0.2093(2) 0.3741(3) -0.0068(2) 0.0459(13) Uani 1 1 d . . . . .
C29 C 0.2311(2) 0.4293(3) 0.0260(2) 0.0444(13) Uani 1 1 d . . . . .
C30 C 0.2561(3) 0.4985(4) 0.0090(2) 0.0583(16) Uani 1 1 d . . . . .
H30 H 0.271908 0.535627 0.029887 0.070 Uiso 1 1 calc R . . . .
C31 C 0.2584(3) 0.5140(4) -0.0374(2) 0.0595(17) Uani 1 1 d . . . . .
H31 H 0.275406 0.561998 -0.047385 0.071 Uiso 1 1 calc R . . . .
C32 C 0.2367(3) 0.4619(4) -0.0701(2) 0.0545(15) Uani 1 1 d . . . . .
C33 C 0.2124(3) 0.3918(4) -0.0538(2) 0.0538(15) Uani 1 1 d . . . . .
H33 H 0.197532 0.354792 -0.075226 0.065 Uiso 1 1 calc R . . . .
C34 C 0.2373(3) 0.4820(4) -0.1208(2) 0.0635(18) Uani 1 1 d . . . . .
C35 C 0.2822(4) 0.5268(5) -0.1392(3) 0.094(3) Uani 1 1 d . . . . .
H35 H 0.312368 0.543368 -0.120182 0.112 Uiso 1 1 calc R . . . .
C36 C 0.2815(5) 0.5467(7) -0.1864(3) 0.112(4) Uani 1 1 d . . . . .
H36 H 0.311846 0.575968 -0.199217 0.134 Uiso 1 1 calc R . . . .
C37 C 0.2377(5) 0.5243(6) -0.2137(3) 0.113(4) Uani 1 1 d . . . . .
H37 H 0.237675 0.539837 -0.244979 0.135 Uiso 1 1 calc R . . . .
C38 C 0.1943(5) 0.4809(5) -0.1976(3) 0.096(3) Uani 1 1 d . . . . .
H38 H 0.164781 0.464070 -0.217203 0.115 Uiso 1 1 calc R . . . .
C39 C 0.1944(4) 0.4609(5) -0.1500(3) 0.078(2) Uani 1 1 d . . . . .
H39 H 0.163434 0.431910 -0.137989 0.094 Uiso 1 1 calc R . . . .
C40 C 0.1568(2) 0.2404(3) -0.0129(2) 0.0507(14) Uani 1 1 d . . . . .
H40 H 0.156150 0.243197 -0.045349 0.061 Uiso 1 1 calc R . . . .
C41 C 0.1318(3) 0.1763(3) 0.0093(2) 0.0517(15) Uani 1 1 d . . . . .
C42 C 0.1352(3) 0.1730(3) 0.0571(2) 0.0514(14) Uani 1 1 d . . . . .
H42 H 0.119528 0.129289 0.073207 0.062 Uiso 1 1 calc R . . . .
C43 C 0.1620(3) 0.2347(3) 0.0812(2) 0.0537(15) Uani 1 1 d . . . . .
H43 H 0.164129 0.231555 0.113586 0.064 Uiso 1 1 calc R . . . .
C44 C 0.1016(3) 0.1127(4) -0.0175(3) 0.0638(17) Uani 1 1 d . U . . .
C45 C 0.0811(4) 0.1279(5) -0.0613(3) 0.094(2) Uani 1 1 d . U . . .
H45 H 0.084918 0.180006 -0.073368 0.113 Uiso 1 1 calc R . . . .
C46 C 0.0550(5) 0.0700(5) -0.0884(3) 0.107(3) Uani 1 1 d . U . . .
H46 H 0.042331 0.082339 -0.118384 0.128 Uiso 1 1 calc R . . . .
C47 C 0.0480(5) -0.0055(5) -0.0706(4) 0.110(3) Uani 1 1 d . U . . .
H47 H 0.027636 -0.044594 -0.087260 0.132 Uiso 1 1 calc R . . . .
C48 C 0.0700(5) -0.0228(5) -0.0300(4) 0.126(3) Uani 1 1 d . U . . .
H48 H 0.067678 -0.075857 -0.018988 0.152 Uiso 1 1 calc R . . . .
C49 C 0.0969(5) 0.0354(5) -0.0026(4) 0.110(3) Uani 1 1 d . U . . .
H49 H 0.111850 0.020898 0.026380 0.132 Uiso 1 1 calc R . . . .
C50 C 0.0531(3) 0.4149(4) 0.0118(2) 0.0555(16) Uani 1 1 d . . . . .
C51 C 0.0346(3) 0.3593(4) 0.0473(2) 0.0573(16) Uani 1 1 d . . . . .
C52 C 0.0540(3) 0.3766(4) 0.0913(2) 0.0565(16) Uani 1 1 d . . . . .
C53 C 0.0386(3) 0.3247(4) 0.1269(3) 0.073(2) Uani 1 1 d . . . . .
H53 H 0.051132 0.335235 0.157170 0.088 Uiso 1 1 calc R . . . .
C54 C 0.0050(4) 0.2575(5) 0.1186(3) 0.093(3) Uani 1 1 d . . . . .
H54 H -0.004777 0.222608 0.142869 0.111 Uiso 1 1 calc R . . . .
C55 C -0.0139(4) 0.2428(5) 0.0736(4) 0.095(3) Uani 1 1 d . . . . .
H55 H -0.036692 0.197660 0.067690 0.114 Uiso 1 1 calc R . . . .
C56 C 0.0001(3) 0.2925(5) 0.0386(3) 0.080(2) Uani 1 1 d . . . . .
H56 H -0.013195 0.282349 0.008473 0.096 Uiso 1 1 calc R . . . .
C57 C 0.0398(3) 0.4109(4) -0.0353(3) 0.0678(19) Uani 1 1 d . . . . .
H57 H 0.016579 0.368932 -0.046167 0.081 Uiso 1 1 calc R . . . .
C58 C 0.0597(3) 0.4663(5) -0.0657(3) 0.074(2) Uani 1 1 d . . . . .
H58 H 0.050332 0.463083 -0.097285 0.089 Uiso 1 1 calc R . . . .
C59 C 0.0940(3) 0.5277(4) -0.0496(3) 0.0646(18) Uani 1 1 d . . . . .
H59 H 0.107948 0.567104 -0.069941 0.077 Uiso 1 1 calc R . . . .
C60 C 0.1075(3) 0.5300(4) -0.0032(2) 0.0543(16) Uani 1 1 d . . . . .
H60 H 0.131748 0.570642 0.007706 0.065 Uiso 1 1 calc R . . . .
Cl1 Cl 0.2990(3) 0.2979(3) 0.4224(3) 0.282(4) Uani 1 1 d . . . . .
Cl2 Cl 0.3397(3) 0.1794(4) 0.3657(2) 0.257(3) Uani 1 1 d . . . . .
C61 C 0.3323(12) 0.2789(11) 0.3711(8) 0.292(13) Uani 1 1 d . . . . .
H61A H 0.309869 0.300184 0.345365 0.350 Uiso 1 1 calc R . . . .
H61B H 0.369689 0.304823 0.370701 0.350 Uiso 1 1 calc R . . . .


_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
C1 H1 0.9400 . ?
C1 N1 1.321(7) . ?
C1 N2 1.327(7) . ?
N1 Pd1 2.044(4) . ?
N1 C8 1.424(7) . ?
Pd1 Pt1 2.8557(5) . ?
Pd1 N3 2.140(5) . ?
Pd1 N5 2.037(4) . ?
Pd1 C29 1.980(6) . ?
Pt1 N2 2.144(5) . ?
Pt1 N4 2.031(5) . ?
Pt1 N6 2.023(5) . ?
Pt1 C52 2.004(6) . ?
C2 N2 1.401(7) . ?
C2 C3 1.371(9) . ?
C2 C7 1.401(10) . ?
C3 H3 0.9400 . ?
C3 C4 1.371(9) . ?
N3 C14 1.323(8) . ?
N3 C21 1.427(7) . ?
C4 H4 0.9400 . ?
C4 C5 1.384(11) . ?
N4 C14 1.316(8) . ?
N4 C15 1.425(9) . ?
C5 H5 0.9400 . ?
C5 C6 1.376(11) . ?
N5 C27 1.350(7) . ?
N5 C43 1.349(7) . ?
C6 H6 0.9400 . ?
C6 C7 1.381(10) . ?
N6 C50 1.360(8) . ?
N6 C60 1.341(8) . ?
C7 H7 0.9400 . ?
C8 C9 1.395(8) . ?
C8 C13 1.379(8) . ?
C9 H9 0.9400 . ?
C9 C10 1.388(9) . ?
C10 H10 0.9400 . ?
C10 C11 1.394(10) . ?
C11 H11 0.9400 . ?
C11 C12 1.362(9) . ?
C12 H12 0.9400 . ?
C12 C13 1.374(8) . ?
C13 H13 0.9400 . ?
C14 H14 0.9400 . ?
C15 C16 1.359(10) . ?
C15 C20 1.399(10) . ?
C16 H16 0.9400 . ?
C16 C17 1.412(11) . ?
C17 H17 0.9400 . ?
C17 C18 1.362(13) . ?
C18 H18 0.9400 . ?
C18 C19 1.359(13) . ?
C19 H19 0.9400 . ?
C19 C20 1.369(11) . ?
C20 H20 0.9400 . ?
C21 C22 1.382(9) . ?
C21 C26 1.378(9) . ?
C22 H22 0.9400 . ?
C22 C23 1.403(10) . ?
C23 H23 0.9400 . ?
C23 C24 1.351(12) . ?
C24 H24 0.9400 . ?
C24 C25 1.345(11) . ?
C25 H25 0.9400 . ?
C25 C26 1.411(10) . ?
C26 H26 0.9400 . ?
C27 C28 1.461(8) . ?
C27 C40 1.418(8) . ?
C28 C29 1.416(8) . ?
C28 C33 1.392(8) . ?
C29 C30 1.383(8) . ?
C30 H30 0.9400 . ?
C30 C31 1.366(9) . ?
C31 H31 0.9400 . ?
C31 C32 1.382(9) . ?
C32 C33 1.383(8) . ?
C32 C34 1.501(9) . ?
C33 H33 0.9400 . ?
C34 C35 1.398(10) . ?
C34 C39 1.364(10) . ?
C35 H35 0.9400 . ?
C35 C36 1.406(11) . ?
C36 H36 0.9400 . ?
C36 C37 1.351(14) . ?
C37 H37 0.9400 . ?
C37 C38 1.335(13) . ?
C38 H38 0.9400 . ?
C38 C39 1.415(11) . ?
C39 H39 0.9400 . ?
C40 H40 0.9400 . ?
C40 C41 1.377(8) . ?
C41 C42 1.383(8) . ?
C41 C44 1.492(8) . ?
C42 H42 0.9400 . ?
C42 C43 1.392(8) . ?
C43 H43 0.9400 . ?
C44 C45 1.377(10) . ?
C44 C49 1.361(10) . ?
C45 H45 0.9400 . ?
C45 C46 1.385(10) . ?
C46 H46 0.9400 . ?
C46 C47 1.367(12) . ?
C47 H47 0.9400 . ?
C47 C48 1.316(12) . ?
C48 H48 0.9400 . ?
C48 C49 1.403(11) . ?
C49 H49 0.9400 . ?
C50 C51 1.449(9) . ?
C50 C57 1.401(9) . ?
C51 C52 1.379(9) . ?
C51 C56 1.401(9) . ?
C52 C53 1.393(9) . ?
C53 H53 0.9400 . ?
C53 C54 1.390(10) . ?
C54 H54 0.9400 . ?
C54 C55 1.395(13) . ?
C55 H55 0.9400 . ?
C55 C56 1.348(11) . ?
C56 H56 0.9400 . ?
C57 H57 0.9400 . ?
C57 C58 1.358(10) . ?
C58 H58 0.9400 . ?
C58 C59 1.383(10) . ?
C59 H59 0.9400 . ?
C59 C60 1.378(10) . ?
C60 H60 0.9400 . ?
Cl1 C61 1.71(2) . ?
Cl2 C61 1.673(17) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 H1 117.4 . . ?
N1 C1 N2 125.3(5) . . ?
N2 C1 H1 117.4 . . ?
C1 N1 Pd1 121.8(4) . . ?
C1 N1 C8 117.2(5) . . ?
C8 N1 Pd1 120.6(3) . . ?
N1 Pd1 Pt1 84.22(13) . . ?
N1 Pd1 N3 88.73(19) . . ?
N3 Pd1 Pt1 80.82(14) . . ?
N5 Pd1 N1 173.00(19) . . ?
N5 Pd1 Pt1 93.96(13) . . ?
N5 Pd1 N3 97.66(18) . . ?
C29 Pd1 N1 92.2(2) . . ?
C29 Pd1 Pt1 96.97(16) . . ?
C29 Pd1 N3 177.5(2) . . ?
C29 Pd1 N5 81.3(2) . . ?
N2 Pt1 Pd1 79.55(13) . . ?
N4 Pt1 Pd1 82.36(15) . . ?
N4 Pt1 N2 87.42(19) . . ?
N6 Pt1 Pd1 98.68(14) . . ?
N6 Pt1 N2 97.00(18) . . ?
N6 Pt1 N4 175.6(2) . . ?
C52 Pt1 Pd1 101.06(19) . . ?
C52 Pt1 N2 177.7(2) . . ?
C52 Pt1 N4 94.8(2) . . ?
C52 Pt1 N6 80.7(2) . . ?
C3 C2 N2 122.9(6) . . ?
C3 C2 C7 117.2(6) . . ?
C7 C2 N2 119.8(6) . . ?
C1 N2 Pt1 122.6(4) . . ?
C1 N2 C2 116.4(5) . . ?
C2 N2 Pt1 121.0(4) . . ?
C2 C3 H3 118.4 . . ?
C2 C3 C4 123.1(7) . . ?
C4 C3 H3 118.4 . . ?
C14 N3 Pd1 119.8(4) . . ?
C14 N3 C21 116.0(5) . . ?
C21 N3 Pd1 123.1(4) . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.5(7) . . ?
C5 C4 H4 120.3 . . ?
C14 N4 Pt1 124.3(4) . . ?
C14 N4 C15 116.8(5) . . ?
C15 N4 Pt1 118.9(4) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.6(6) . . ?
C6 C5 H5 120.7 . . ?
C27 N5 Pd1 114.8(4) . . ?
C43 N5 Pd1 126.0(4) . . ?
C43 N5 C27 118.8(5) . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.6(7) . . ?
C7 C6 H6 119.2 . . ?
C50 N6 Pt1 114.5(4) . . ?
C60 N6 Pt1 125.0(4) . . ?
C60 N6 C50 120.5(6) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0(7) . . ?
C6 C7 H7 120.0 . . ?
C9 C8 N1 121.9(5) . . ?
C13 C8 N1 119.1(5) . . ?
C13 C8 C9 119.0(6) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 C8 119.3(6) . . ?
C10 C9 H9 120.4 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.2(6) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 121.0 . . ?
C12 C11 C10 118.0(6) . . ?
C12 C11 H11 121.0 . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C13 121.9(6) . . ?
C13 C12 H12 119.0 . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.5(6) . . ?
C12 C13 H13 119.8 . . ?
N3 C14 H14 117.3 . . ?
N4 C14 N3 125.3(6) . . ?
N4 C14 H14 117.3 . . ?
C16 C15 N4 121.4(7) . . ?
C16 C15 C20 119.1(7) . . ?
C20 C15 N4 119.5(7) . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.3(8) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.5(9) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 119.9(8) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.4(9) . . ?
C20 C19 H19 119.8 . . ?
C15 C20 H20 119.7 . . ?
C19 C20 C15 120.6(8) . . ?
C19 C20 H20 119.7 . . ?
C22 C21 N3 122.5(6) . . ?
C26 C21 N3 118.5(6) . . ?
C26 C21 C22 119.0(6) . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.0(8) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.4(8) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(8) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.3(8) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 120.0(7) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
N5 C27 C28 114.4(5) . . ?
N5 C27 C40 120.6(5) . . ?
C40 C27 C28 125.0(5) . . ?
C29 C28 C27 114.9(5) . . ?
C33 C28 C27 125.3(5) . . ?
C33 C28 C29 119.8(5) . . ?
C28 C29 Pd1 113.8(4) . . ?
C30 C29 Pd1 128.6(4) . . ?
C30 C29 C28 117.2(5) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 C29 121.4(6) . . ?
C31 C30 H30 119.3 . . ?
C30 C31 H31 118.7 . . ?
C30 C31 C32 122.7(6) . . ?
C32 C31 H31 118.7 . . ?
C31 C32 C33 116.7(6) . . ?
C31 C32 C34 121.7(6) . . ?
C33 C32 C34 121.6(6) . . ?
C28 C33 H33 118.9 . . ?
C32 C33 C28 122.1(6) . . ?
C32 C33 H33 118.9 . . ?
C35 C34 C32 119.8(7) . . ?
C39 C34 C32 122.6(6) . . ?
C39 C34 C35 117.5(7) . . ?
C34 C35 H35 120.4 . . ?
C34 C35 C36 119.2(9) . . ?
C36 C35 H35 120.4 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.6(9) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 119.0 . . ?
C38 C37 C36 122.1(9) . . ?
C38 C37 H37 119.0 . . ?
C37 C38 H38 121.1 . . ?
C37 C38 C39 117.8(9) . . ?
C39 C38 H38 121.1 . . ?
C34 C39 C38 122.8(8) . . ?
C34 C39 H39 118.6 . . ?
C38 C39 H39 118.6 . . ?
C27 C40 H40 119.8 . . ?
C41 C40 C27 120.4(6) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 C42 118.0(5) . . ?
C40 C41 C44 120.7(6) . . ?
C42 C41 C44 121.3(6) . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.8(5) . . ?
C43 C42 H42 120.1 . . ?
N5 C43 C42 122.4(6) . . ?
N5 C43 H43 118.8 . . ?
C42 C43 H43 118.8 . . ?
C45 C44 C41 121.0(6) . . ?
C49 C44 C41 123.0(7) . . ?
C49 C44 C45 115.8(7) . . ?
C44 C45 H45 118.4 . . ?
C44 C45 C46 123.1(8) . . ?
C46 C45 H45 118.4 . . ?
C45 C46 H46 120.6 . . ?
C47 C46 C45 118.8(8) . . ?
C47 C46 H46 120.6 . . ?
C46 C47 H47 120.4 . . ?
C48 C47 C46 119.2(8) . . ?
C48 C47 H47 120.4 . . ?
C47 C48 H48 119.0 . . ?
C47 C48 C49 122.0(8) . . ?
C49 C48 H48 119.0 . . ?
C44 C49 C48 120.7(8) . . ?
C44 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
N6 C50 C51 115.3(6) . . ?
N6 C50 C57 118.5(6) . . ?
C57 C50 C51 126.2(6) . . ?
C52 C51 C50 114.7(5) . . ?
C52 C51 C56 121.6(7) . . ?
C56 C51 C50 123.7(7) . . ?
C51 C52 Pt1 114.7(5) . . ?
C51 C52 C53 117.7(6) . . ?
C53 C52 Pt1 127.6(5) . . ?
C52 C53 H53 119.3 . . ?
C54 C53 C52 121.3(8) . . ?
C54 C53 H53 119.3 . . ?
C53 C54 H54 120.5 . . ?
C53 C54 C55 118.9(8) . . ?
C55 C54 H54 120.5 . . ?
C54 C55 H55 119.5 . . ?
C56 C55 C54 120.9(7) . . ?
C56 C55 H55 119.5 . . ?
C51 C56 H56 120.2 . . ?
C55 C56 C51 119.6(8) . . ?
C55 C56 H56 120.2 . . ?
C50 C57 H57 119.4 . . ?
C58 C57 C50 121.2(7) . . ?
C58 C57 H57 119.4 . . ?
C57 C58 H58 120.4 . . ?
C57 C58 C59 119.1(7) . . ?
C59 C58 H58 120.4 . . ?
C58 C59 H59 120.6 . . ?
C60 C59 C58 118.9(7) . . ?
C60 C59 H59 120.6 . . ?
N6 C60 C59 121.8(6) . . ?
N6 C60 H60 119.1 . . ?
C59 C60 H60 119.1 . . ?
Cl1 C61 H61A 110.1 . . ?
Cl1 C61 H61B 110.1 . . ?
Cl2 C61 Cl1 108.2(14) . . ?
Cl2 C61 H61A 110.1 . . ?
Cl2 C61 H61B 110.1 . . ?
H61A C61 H61B 108.4 . . ?

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
C1 N1 C8 C9 34.2(8) . . . . ?
C1 N1 C8 C13 -146.1(6) . . . . ?
N1 C1 N2 Pt1 13.1(8) . . . . ?
N1 C1 N2 C2 -167.9(6) . . . . ?
N1 C8 C9 C10 -176.6(6) . . . . ?
N1 C8 C13 C12 177.5(6) . . . . ?
Pd1 N1 C8 C9 -152.7(4) . . . . ?
Pd1 N1 C8 C13 27.0(7) . . . . ?
Pd1 N3 C14 N4 18.9(8) . . . . ?
Pd1 N3 C21 C22 -162.4(5) . . . . ?
Pd1 N3 C21 C26 15.2(7) . . . . ?
Pd1 N5 C27 C28 7.3(6) . . . . ?
Pd1 N5 C27 C40 -171.1(4) . . . . ?
Pd1 N5 C43 C42 169.8(5) . . . . ?
Pd1 C29 C30 C31 -171.5(5) . . . . ?
Pt1 N4 C14 N3 7.6(9) . . . . ?
Pt1 N4 C15 C16 -139.9(6) . . . . ?
Pt1 N4 C15 C20 38.5(8) . . . . ?
Pt1 N6 C50 C51 1.0(7) . . . . ?
Pt1 N6 C50 C57 -178.6(5) . . . . ?
Pt1 N6 C60 C59 179.4(5) . . . . ?
Pt1 C52 C53 C54 -177.2(6) . . . . ?
C2 C3 C4 C5 0.8(10) . . . . ?
N2 C1 N1 Pd1 12.4(8) . . . . ?
N2 C1 N1 C8 -174.6(6) . . . . ?
N2 C2 C3 C4 177.5(6) . . . . ?
N2 C2 C7 C6 -177.8(6) . . . . ?
C3 C2 N2 C1 44.5(8) . . . . ?
C3 C2 N2 Pt1 -136.5(5) . . . . ?
C3 C2 C7 C6 0.7(9) . . . . ?
C3 C4 C5 C6 -0.4(10) . . . . ?
N3 C21 C22 C23 -176.8(6) . . . . ?
N3 C21 C26 C25 178.5(6) . . . . ?
C4 C5 C6 C7 0.2(11) . . . . ?
N4 C15 C16 C17 -179.8(7) . . . . ?
N4 C15 C20 C19 -179.6(7) . . . . ?
C5 C6 C7 C2 -0.4(10) . . . . ?
N5 C27 C28 C29 -1.1(7) . . . . ?
N5 C27 C28 C33 -179.4(5) . . . . ?
N5 C27 C40 C41 0.5(8) . . . . ?
N6 C50 C51 C52 0.1(8) . . . . ?
N6 C50 C51 C56 -179.5(6) . . . . ?
N6 C50 C57 C58 -0.2(10) . . . . ?
C7 C2 N2 C1 -137.2(6) . . . . ?
C7 C2 N2 Pt1 41.9(7) . . . . ?
C7 C2 C3 C4 -0.9(9) . . . . ?
C8 C9 C10 C11 -3.2(10) . . . . ?
C9 C8 C13 C12 -2.7(9) . . . . ?
C9 C10 C11 C12 1.7(12) . . . . ?
C10 C11 C12 C13 -0.7(12) . . . . ?
C11 C12 C13 C8 1.3(11) . . . . ?
C13 C8 C9 C10 3.6(9) . . . . ?
C14 N3 C21 C22 29.3(8) . . . . ?
C14 N3 C21 C26 -153.0(6) . . . . ?
C14 N4 C15 C16 42.4(9) . . . . ?
C14 N4 C15 C20 -139.2(6) . . . . ?
C15 N4 C14 N3 -174.8(6) . . . . ?
C15 C16 C17 C18 -2.2(13) . . . . ?
C16 C15 C20 C19 -1.1(11) . . . . ?
C16 C17 C18 C19 2.0(15) . . . . ?
C17 C18 C19 C20 -1.4(15) . . . . ?
C18 C19 C20 C15 1.0(13) . . . . ?
C20 C15 C16 C17 1.7(11) . . . . ?
C21 N3 C14 N4 -172.4(6) . . . . ?
C21 C22 C23 C24 -3.6(11) . . . . ?
C22 C21 C26 C25 -3.8(9) . . . . ?
C22 C23 C24 C25 -0.2(12) . . . . ?
C23 C24 C25 C26 2.1(12) . . . . ?
C24 C25 C26 C21 -0.1(11) . . . . ?
C26 C21 C22 C23 5.5(9) . . . . ?
C27 N5 C43 C42 -1.8(9) . . . . ?
C27 C28 C29 Pd1 -5.8(6) . . . . ?
C27 C28 C29 C30 180.0(5) . . . . ?
C27 C28 C33 C32 178.7(6) . . . . ?
C27 C40 C41 C42 -2.1(9) . . . . ?
C27 C40 C41 C44 177.5(5) . . . . ?
C28 C27 C40 C41 -177.7(5) . . . . ?
C28 C29 C30 C31 1.8(10) . . . . ?
C29 C28 C33 C32 0.5(9) . . . . ?
C29 C30 C31 C32 -0.7(11) . . . . ?
C30 C31 C32 C33 -0.5(10) . . . . ?
C30 C31 C32 C34 177.2(7) . . . . ?
C31 C32 C33 C28 0.6(10) . . . . ?
C31 C32 C34 C35 33.7(10) . . . . ?
C31 C32 C34 C39 -143.6(8) . . . . ?
C32 C34 C35 C36 -178.5(8) . . . . ?
C32 C34 C39 C38 178.9(8) . . . . ?
C33 C28 C29 Pd1 172.6(4) . . . . ?
C33 C28 C29 C30 -1.6(9) . . . . ?
C33 C32 C34 C35 -148.8(8) . . . . ?
C33 C32 C34 C39 34.0(10) . . . . ?
C34 C32 C33 C28 -177.1(6) . . . . ?
C34 C35 C36 C37 1.2(17) . . . . ?
C35 C34 C39 C38 1.6(13) . . . . ?
C35 C36 C37 C38 -1.9(19) . . . . ?
C36 C37 C38 C39 2.3(17) . . . . ?
C37 C38 C39 C34 -2.2(15) . . . . ?
C39 C34 C35 C36 -1.1(13) . . . . ?
C40 C27 C28 C29 177.2(5) . . . . ?
C40 C27 C28 C33 -1.1(9) . . . . ?
C40 C41 C42 C43 1.8(9) . . . . ?
C40 C41 C44 C45 -22.2(11) . . . . ?
C40 C41 C44 C49 152.0(8) . . . . ?
C41 C42 C43 N5 0.2(9) . . . . ?
C41 C44 C45 C46 177.1(9) . . . . ?
C41 C44 C49 C48 -177.5(10) . . . . ?
C42 C41 C44 C45 157.4(8) . . . . ?
C42 C41 C44 C49 -28.4(12) . . . . ?
C43 N5 C27 C28 179.8(5) . . . . ?
C43 N5 C27 C40 1.4(8) . . . . ?
C44 C41 C42 C43 -177.8(6) . . . . ?
C44 C45 C46 C47 1.6(17) . . . . ?
C45 C44 C49 C48 -3.1(16) . . . . ?
C45 C46 C47 C48 -5.3(19) . . . . ?
C46 C47 C48 C49 5(2) . . . . ?
C47 C48 C49 C44 -1(2) . . . . ?
C49 C44 C45 C46 2.6(15) . . . . ?
C50 N6 C60 C59 2.1(9) . . . . ?
C50 C51 C52 Pt1 -1.2(7) . . . . ?
C50 C51 C52 C53 -178.9(6) . . . . ?
C50 C51 C56 C55 178.4(7) . . . . ?
C50 C57 C58 C59 0.3(11) . . . . ?
C51 C50 C57 C58 -179.7(6) . . . . ?
C51 C52 C53 C54 0.2(11) . . . . ?
C52 C51 C56 C55 -1.2(12) . . . . ?
C52 C53 C54 C55 -0.7(13) . . . . ?
C53 C54 C55 C56 0.2(14) . . . . ?
C54 C55 C56 C51 0.7(13) . . . . ?
C56 C51 C52 Pt1 178.4(5) . . . . ?
C56 C51 C52 C53 0.7(10) . . . . ?
C57 C50 C51 C52 179.7(6) . . . . ?
C57 C50 C51 C56 0.1(10) . . . . ?
C57 C58 C59 C60 0.8(11) . . . . ?
C58 C59 C60 N6 -2.0(10) . . . . ?
C60 N6 C50 C51 178.6(5) . . . . ?
C60 N6 C50 C57 -1.0(9) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 608 electrons were 
found in a volume of 1872Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[CH2Cl2] per Formula Unit 
which account for 336 electrons 
per unit cell.
;
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 -0.018 -0.190 0.216 234.0 75.8 '1 DCM'
2 0.018 0.190 0.784 234.0 74.5 '1 DCM'
3 0.018 0.310 0.284 234.0 78.0 '1 DCM'
4 -0.018 0.690 0.716 234.0 72.2 '1 DCM'
5 0.482 0.690 0.784 234.0 77.4 '1 DCM'
6 0.482 0.810 0.284 234.0 74.5 '1 DCM'
7 0.518 0.190 0.716 234.0 75.8 '1 DCM'
8 0.518 0.310 0.216 234.0 72.8 '1 DCM'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
