# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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_sust_3047_0m
_database_code_depnum_ccdc_archive 'CCDC 2159737'
loop_
_audit_author_name
_audit_author_address
'Jin Zhang'
;Shaanxi University of Science and Technology
China
;
_audit_update_record             
;
2022-03-17 deposited with the CCDC.	2022-06-02 downloaded from the CCDC.
;
_audit_creation_date             2021-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C74 H80 Cl4 N4 Pd2'
_chemical_formula_sum            'C74 H80 Cl4 N4 Pd2'
_chemical_formula_weight         1380.02
_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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.932(5)
_cell_length_b                   15.475(4)
_cell_length_c                   22.985(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.362(14)
_cell_angle_gamma                90
_cell_volume                     6714(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6289
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.936
_shelx_estimated_absorpt_T_min   0.923
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6569
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0722 before and 0.0614 after correction.
The Ratio of minimum to maximum transmission is 0.8810.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0812
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44065
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.148
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7822
_reflns_number_total             11815
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     773
_refine_ls_number_reflns         11815
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0542
_refine_ls_restrained_S_all      1.064
_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)+(0.0637P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1488
_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.a Ternary CH refined with riding coordinates:
 C2(H2), C11(H11), C27(H27), C36(H36), C39(H39), C48(H48), C64(H64), C73(H73)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C15(H15), C16(H16), C17(H17), C19(H19), C20(H20),
 C21(H21), C32(H32), C33(H33), C34(H34), C42(H42), C43(H43), C44(H44), C53(H53),
  C54(H54), C55(H55), C58(H58), C59(H59), C60(H60), C67(H67), C68(H68), C71(H71)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C),
 C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C35(H35A,H35B,H35C), C37(H37A,H37B,
 H37C), C38(H38C,H38A,H38B), C40(H40A,H40B,H40C), C47(H47A,H47B,H47C), C49(H49A,
 H49B,H49C), C63(H63A,H63B,H63C), C65(H65A,H65B,H65C), C72(H72A,H72B,H72C),
 C74(H74A,H74B,H74C)
;
_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
Pd1 Pd 0.21176(2) 1.02085(3) 0.10950(2) 0.04064(14) Uani 1 1 d . . . . .
Pd2 Pd 0.34002(2) 0.86841(3) 0.09042(2) 0.03781(14) Uani 1 1 d . . . . .
Cl1 Cl 0.11915(11) 1.07277(15) 0.05143(8) 0.0873(7) Uani 1 1 d . . . . .
Cl2 Cl 0.25286(10) 0.93839(12) 0.03096(7) 0.0674(5) Uani 1 1 d . . . . .
Cl3 Cl 0.31548(8) 0.97539(10) 0.16171(6) 0.0474(4) Uani 1 1 d . . . . .
Cl4 Cl 0.43250(9) 0.81762(11) 0.14966(7) 0.0590(4) Uani 1 1 d . . . . .
N1 N 0.3195(2) 0.6975(3) 0.03470(18) 0.0344(10) Uani 1 1 d . . . . .
N2 N 0.3849(2) 0.7784(3) -0.01664(18) 0.0324(10) Uani 1 1 d . . . . .
N3 N 0.1973(2) 1.1484(3) 0.20658(18) 0.0336(10) Uani 1 1 d . . . . .
N4 N 0.1388(2) 1.0285(3) 0.21688(18) 0.0373(11) Uani 1 1 d . . . . .
C1 C 0.2979(4) 0.9998(4) -0.1028(3) 0.079(2) Uani 1 1 d . . . . .
H1A H 0.3098 1.0291 -0.0666 0.118 Uiso 1 1 calc GR . . . .
H1B H 0.2473 0.9964 -0.1097 0.118 Uiso 1 1 calc GR . . . .
H1C H 0.3171 1.0311 -0.1341 0.118 Uiso 1 1 calc GR . . . .
C2 C 0.3289(3) 0.9090(4) -0.0999(3) 0.0519(16) Uani 1 1 d . . . . .
H2 H 0.3006 0.8749 -0.0743 0.062 Uiso 1 1 calc R . . . .
C3 C 0.3199(5) 0.8681(5) -0.1607(3) 0.088(3) Uani 1 1 d . . . . .
H3A H 0.3470 0.9001 -0.1870 0.132 Uiso 1 1 calc GR . . . .
H3B H 0.2708 0.8691 -0.1745 0.132 Uiso 1 1 calc GR . . . .
H3C H 0.3363 0.8094 -0.1586 0.132 Uiso 1 1 calc GR . . . .
C4 C 0.4052(3) 0.9061(4) -0.0741(2) 0.0453(15) Uani 1 1 d . . . . .
C5 C 0.4536(4) 0.9654(4) -0.0923(3) 0.0594(19) Uani 1 1 d . . . . .
H5 H 0.4389 1.0079 -0.1191 0.071 Uiso 1 1 calc R . . . .
C6 C 0.5229(4) 0.9617(4) -0.0708(3) 0.071(2) Uani 1 1 d . . . . .
H6 H 0.5540 1.0038 -0.0823 0.085 Uiso 1 1 calc R . . . .
C7 C 0.5483(4) 0.8991(5) -0.0335(3) 0.0569(18) Uani 1 1 d . . . . .
H7 H 0.5962 0.8980 -0.0209 0.068 Uiso 1 1 calc R . . . .
C8 C 0.5037(3) 0.8378(4) -0.0145(2) 0.0433(15) Uani 1 1 d . . . . .
C9 C 0.4327(3) 0.8443(3) -0.0346(2) 0.0349(13) Uani 1 1 d . . . . .
C10 C 0.5907(4) 0.7910(5) 0.0705(3) 0.080(2) Uani 1 1 d . . . . .
H10A H 0.6325 0.8080 0.0524 0.120 Uiso 1 1 calc GR . . . .
H10B H 0.6015 0.7432 0.0963 0.120 Uiso 1 1 calc GR . . . .
H10C H 0.5738 0.8387 0.0923 0.120 Uiso 1 1 calc GR . . . .
C11 C 0.5337(3) 0.7641(4) 0.0238(3) 0.0506(16) Uani 1 1 d . . . . .
H11 H 0.4943 0.7405 0.0441 0.061 Uiso 1 1 calc R . . . .
C12 C 0.5608(4) 0.6915(5) -0.0129(3) 0.083(2) Uani 1 1 d . . . . .
H12A H 0.5245 0.6750 -0.0422 0.124 Uiso 1 1 calc GR . . . .
H12B H 0.5732 0.6428 0.0117 0.124 Uiso 1 1 calc GR . . . .
H12C H 0.6018 0.7109 -0.0313 0.124 Uiso 1 1 calc GR . . . .
C13 C 0.3745(3) 0.7017(3) -0.0459(2) 0.0336(12) Uani 1 1 d . . . . .
C14 C 0.3918(3) 0.6553(3) -0.0989(2) 0.0378(13) Uani 1 1 d . . . . .
C15 C 0.4272(3) 0.6715(4) -0.1468(2) 0.0468(15) Uani 1 1 d . . . . .
H15 H 0.4509 0.7235 -0.1509 0.056 Uiso 1 1 calc R . . . .
C16 C 0.4270(4) 0.6066(5) -0.1906(3) 0.0571(18) Uani 1 1 d . . . . .
H16 H 0.4514 0.6169 -0.2236 0.069 Uiso 1 1 calc R . . . .
C17 C 0.3928(3) 0.5310(4) -0.1862(3) 0.0550(17) Uani 1 1 d . . . . .
H17 H 0.3938 0.4904 -0.2159 0.066 Uiso 1 1 calc R . . . .
C18 C 0.3559(3) 0.5128(4) -0.1372(3) 0.0443(15) Uani 1 1 d . . . . .
C19 C 0.3170(3) 0.4377(4) -0.1273(3) 0.0559(17) Uani 1 1 d . . . . .
H19 H 0.3149 0.3931 -0.1545 0.067 Uiso 1 1 calc R . . . .
C20 C 0.2827(3) 0.4304(4) -0.0782(3) 0.0586(18) Uani 1 1 d . . . . .
H20 H 0.2581 0.3795 -0.0724 0.070 Uiso 1 1 calc R . . . .
C21 C 0.2819(3) 0.4958(4) -0.0346(3) 0.0476(15) Uani 1 1 d . . . . .
H21 H 0.2567 0.4888 -0.0017 0.057 Uiso 1 1 calc R . . . .
C22 C 0.3199(3) 0.5693(3) -0.0433(2) 0.0408(14) Uani 1 1 d . . . . .
C23 C 0.3338(3) 0.6511(3) -0.0140(2) 0.0345(13) Uani 1 1 d . . . . .
C24 C 0.3567(3) 0.5763(3) -0.0944(2) 0.0359(13) Uani 1 1 d . . . . .
C25 C 0.3516(3) 0.7767(4) 0.0337(2) 0.0361(13) Uani 1 1 d . . . . .
C26 C 0.4194(4) 0.5198(4) 0.0976(3) 0.076(2) Uani 1 1 d . . . . .
H26A H 0.4024 0.4695 0.1166 0.114 Uiso 1 1 calc GR . . . .
H26B H 0.4702 0.5184 0.0992 0.114 Uiso 1 1 calc GR . . . .
H26C H 0.4007 0.5204 0.0576 0.114 Uiso 1 1 calc GR . . . .
C27 C 0.3950(3) 0.6017(4) 0.1286(3) 0.0523(16) Uani 1 1 d . . . . .
H27 H 0.4150 0.6514 0.1091 0.063 Uiso 1 1 calc R . . . .
C28 C 0.4270(4) 0.6019(5) 0.1921(3) 0.085(3) Uani 1 1 d . . . . .
H28A H 0.4065 0.6481 0.2130 0.127 Uiso 1 1 calc GR . . . .
H28B H 0.4773 0.6099 0.1927 0.127 Uiso 1 1 calc GR . . . .
H28C H 0.4170 0.5477 0.2101 0.127 Uiso 1 1 calc GR . . . .
C29 C 0.3147(3) 0.6131(4) 0.1239(2) 0.0440(15) Uani 1 1 d . . . . .
C30 C 0.2785(3) 0.6627(4) 0.0799(2) 0.0382(13) Uani 1 1 d . . . . .
C31 C 0.2053(3) 0.6741(4) 0.0743(3) 0.0479(15) Uani 1 1 d . . . . .
C32 C 0.1673(4) 0.6328(5) 0.1156(3) 0.0634(19) Uani 1 1 d . . . . .
H32 H 0.1183 0.6391 0.1139 0.076 Uiso 1 1 calc R . . . .
C33 C 0.2000(4) 0.5835(5) 0.1585(3) 0.072(2) Uani 1 1 d . . . . .
H33 H 0.1729 0.5564 0.1852 0.086 Uiso 1 1 calc R . . . .
C34 C 0.2720(4) 0.5730(4) 0.1634(3) 0.066(2) Uani 1 1 d . . . . .
H34 H 0.2929 0.5388 0.1932 0.079 Uiso 1 1 calc R . . . .
C35 C 0.1336(4) 0.6641(7) -0.0209(3) 0.120(4) Uani 1 1 d . . . . .
H35A H 0.1702 0.6334 -0.0390 0.181 Uiso 1 1 calc GR . . . .
H35B H 0.1059 0.6967 -0.0499 0.181 Uiso 1 1 calc GR . . . .
H35C H 0.1037 0.6235 -0.0029 0.181 Uiso 1 1 calc GR . . . .
C36 C 0.1672(3) 0.7255(5) 0.0255(3) 0.067(2) Uani 1 1 d . . . . .
H36 H 0.2023 0.7611 0.0073 0.080 Uiso 1 1 calc R . . . .
C37 C 0.1109(4) 0.7853(5) 0.0473(3) 0.086(3) Uani 1 1 d . . . . .
H37A H 0.0742 0.7514 0.0627 0.129 Uiso 1 1 calc GR . . . .
H37B H 0.0910 0.8199 0.0155 0.129 Uiso 1 1 calc GR . . . .
H37C H 0.1321 0.8222 0.0773 0.129 Uiso 1 1 calc GR . . . .
C38 C 0.3766(4) 1.2399(5) 0.2708(3) 0.078(2) Uani 1 1 d . . . . .
H38C H 0.4002 1.2910 0.2587 0.117 Uiso 1 1 calc GR . . . .
H38A H 0.4089 1.2058 0.2955 0.117 Uiso 1 1 calc GR . . . .
H38B H 0.3368 1.2560 0.2919 0.117 Uiso 1 1 calc GR . . . .
C39 C 0.3509(3) 1.1871(4) 0.2171(3) 0.0461(15) Uani 1 1 d . . . . .
H39 H 0.3284 1.1345 0.2305 0.055 Uiso 1 1 calc R . . . .
C40 C 0.4149(3) 1.1605(5) 0.1859(3) 0.072(2) Uani 1 1 d . . . . .
H40A H 0.3997 1.1341 0.1492 0.109 Uiso 1 1 calc GR . . . .
H40B H 0.4426 1.1198 0.2095 0.109 Uiso 1 1 calc GR . . . .
H40C H 0.4431 1.2105 0.1791 0.109 Uiso 1 1 calc GR . . . .
C41 C 0.2964(3) 1.2362(4) 0.1786(2) 0.0436(14) Uani 1 1 d . . . . .
C42 C 0.3181(4) 1.3060(4) 0.1453(3) 0.069(2) Uani 1 1 d . . . . .
H42 H 0.3661 1.3189 0.1453 0.083 Uiso 1 1 calc R . . . .
C43 C 0.2696(5) 1.3558(5) 0.1127(4) 0.088(3) Uani 1 1 d . . . . .
H43 H 0.2853 1.4005 0.0899 0.105 Uiso 1 1 calc R . . . .
C44 C 0.1996(4) 1.3404(5) 0.1135(3) 0.072(2) Uani 1 1 d . . . . .
H44 H 0.1676 1.3757 0.0920 0.086 Uiso 1 1 calc R . . . .
C45 C 0.1748(3) 1.2745(4) 0.1451(3) 0.0501(16) Uani 1 1 d . . . . .
C46 C 0.2244(3) 1.2219(3) 0.1762(2) 0.0373(13) Uani 1 1 d . . . . .
C47 C 0.0731(4) 1.3324(6) 0.1927(3) 0.108(3) Uani 1 1 d . . . . .
H47A H 0.1014 1.3258 0.2289 0.163 Uiso 1 1 calc GR . . . .
H47B H 0.0241 1.3240 0.1992 0.163 Uiso 1 1 calc GR . . . .
H47C H 0.0796 1.3894 0.1775 0.163 Uiso 1 1 calc GR . . . .
C48 C 0.0956(3) 1.2657(5) 0.1490(3) 0.069(2) Uani 1 1 d . . . . .
H48 H 0.0862 1.2081 0.1644 0.083 Uiso 1 1 calc R . . . .
C49 C 0.0509(4) 1.2767(6) 0.0913(3) 0.093(3) Uani 1 1 d . . . . .
H49A H 0.0547 1.3352 0.0780 0.140 Uiso 1 1 calc GR . . . .
H49B H 0.0023 1.2639 0.0970 0.140 Uiso 1 1 calc GR . . . .
H49C H 0.0677 1.2380 0.0628 0.140 Uiso 1 1 calc GR . . . .
C50 C 0.1783(3) 1.0720(3) 0.1797(2) 0.0331(12) Uani 1 1 d . . . . .
C51 C 0.1710(3) 1.1508(3) 0.2606(2) 0.0322(12) Uani 1 1 d . . . . .
C52 C 0.1691(3) 1.2036(3) 0.3137(2) 0.0359(13) Uani 1 1 d . . . . .
C53 C 0.1966(3) 1.2806(4) 0.3351(3) 0.0471(15) Uani 1 1 d . . . . .
H53 H 0.2235 1.3156 0.3123 0.056 Uiso 1 1 calc R . . . .
C54 C 0.1832(3) 1.3053(4) 0.3922(3) 0.0530(17) Uani 1 1 d . . . . .
H54 H 0.2037 1.3559 0.4074 0.064 Uiso 1 1 calc R . . . .
C55 C 0.1415(3) 1.2581(4) 0.4260(3) 0.0554(17) Uani 1 1 d . . . . .
H55 H 0.1325 1.2783 0.4629 0.066 Uiso 1 1 calc R . . . .
C56 C 0.1118(3) 1.1786(4) 0.4056(2) 0.0462(15) Uani 1 1 d . . . . .
C57 C 0.1275(3) 1.1533(4) 0.3498(2) 0.0371(13) Uani 1 1 d . . . . .
C58 C 0.0678(4) 1.1203(5) 0.4353(3) 0.064(2) Uani 1 1 d . . . . .
H58 H 0.0554 1.1338 0.4726 0.076 Uiso 1 1 calc R . . . .
C59 C 0.0444(4) 1.0467(5) 0.4100(3) 0.066(2) Uani 1 1 d . . . . .
H59 H 0.0156 1.0103 0.4300 0.079 Uiso 1 1 calc R . . . .
C60 C 0.0623(3) 1.0227(4) 0.3535(3) 0.0559(17) Uani 1 1 d . . . . .
H60 H 0.0457 0.9709 0.3372 0.067 Uiso 1 1 calc R . . . .
C61 C 0.1036(3) 1.0750(4) 0.3232(2) 0.0391(13) Uani 1 1 d . . . . .
C62 C 0.1348(3) 1.0780(4) 0.2668(2) 0.0368(13) Uani 1 1 d . . . . .
C63 C -0.0500(4) 1.0285(6) 0.1004(4) 0.104(3) Uani 1 1 d . . . . .
H63A H -0.0223 1.0070 0.0703 0.155 Uiso 1 1 calc GR . . . .
H63B H -0.0681 1.0847 0.0898 0.155 Uiso 1 1 calc GR . . . .
H63C H -0.0889 0.9898 0.1052 0.155 Uiso 1 1 calc GR . . . .
C64 C -0.0043(4) 1.0345(5) 0.1570(3) 0.073(2) Uani 1 1 d . . . . .
H64 H 0.0322 1.0781 0.1517 0.088 Uiso 1 1 calc R . . . .
C65 C -0.0495(5) 1.0676(6) 0.2055(4) 0.117(4) Uani 1 1 d . . . . .
H65A H -0.0875 1.0278 0.2104 0.175 Uiso 1 1 calc GR . . . .
H65B H -0.0687 1.1233 0.1948 0.175 Uiso 1 1 calc GR . . . .
H65C H -0.0205 1.0722 0.2415 0.175 Uiso 1 1 calc GR . . . .
C66 C 0.0335(3) 0.9516(4) 0.1766(3) 0.0535(17) Uani 1 1 d . . . . .
C67 C -0.0015(4) 0.8733(5) 0.1672(3) 0.065(2) Uani 1 1 d . . . . .
H67 H -0.0467 0.8727 0.1482 0.078 Uiso 1 1 calc R . . . .
C68 C 0.0296(4) 0.7965(5) 0.1856(3) 0.065(2) Uani 1 1 d . . . . .
H68 H 0.0054 0.7447 0.1787 0.078 Uiso 1 1 calc R . . . .
C69 C 0.1345(3) 0.8719(4) 0.2251(2) 0.0442(15) Uani 1 1 d . . . . .
C70 C 0.1018(3) 0.9479(4) 0.2052(2) 0.0388(14) Uani 1 1 d . . . . .
C71 C 0.0956(3) 0.7961(4) 0.2138(3) 0.0568(18) Uani 1 1 d . . . . .
H71 H 0.1155 0.7435 0.2259 0.068 Uiso 1 1 calc R . . . .
C72 C 0.1988(4) 0.8483(5) 0.3220(3) 0.072(2) Uani 1 1 d . . . . .
H72A H 0.1752 0.8959 0.3390 0.108 Uiso 1 1 calc GR . . . .
H72B H 0.2450 0.8411 0.3416 0.108 Uiso 1 1 calc GR . . . .
H72C H 0.1716 0.7965 0.3260 0.108 Uiso 1 1 calc GR . . . .
C73 C 0.2059(3) 0.8662(4) 0.2581(3) 0.0495(16) Uani 1 1 d . . . . .
H73 H 0.2293 0.9223 0.2550 0.059 Uiso 1 1 calc R . . . .
C74 C 0.2520(3) 0.7985(4) 0.2323(3) 0.0660(19) Uani 1 1 d . . . . .
H74A H 0.2355 0.7419 0.2419 0.099 Uiso 1 1 calc GR . . . .
H74B H 0.3001 0.8055 0.2480 0.099 Uiso 1 1 calc GR . . . .
H74C H 0.2497 0.8049 0.1907 0.099 Uiso 1 1 calc GR . . . .


_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
Pd1 Cl1 2.2682(19) . ?
Pd1 Cl2 2.3890(16) . ?
Pd1 Cl3 2.3308(17) . ?
Pd1 C50 1.947(5) . ?
Pd2 Cl2 2.3283(18) . ?
Pd2 Cl3 2.3995(14) . ?
Pd2 Cl4 2.2747(17) . ?
Pd2 C25 1.951(5) . ?
N1 C23 1.373(6) . ?
N1 C25 1.369(6) . ?
N1 C30 1.448(6) . ?
N2 C9 1.444(6) . ?
N2 C13 1.371(6) . ?
N2 C25 1.359(6) . ?
N3 C46 1.448(6) . ?
N3 C50 1.370(6) . ?
N3 C51 1.372(6) . ?
N4 C50 1.355(6) . ?
N4 C62 1.385(6) . ?
N4 C70 1.446(7) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.522(8) . ?
C2 H2 0.9800 . ?
C2 C3 1.531(8) . ?
C2 C4 1.520(8) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.383(8) . ?
C4 C9 1.391(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.368(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.356(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.364(8) . ?
C8 C9 1.392(8) . ?
C8 C11 1.524(8) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 C11 1.521(8) . ?
C11 H11 0.9800 . ?
C11 C12 1.516(8) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.471(7) . ?
C13 C23 1.354(7) . ?
C14 C15 1.356(7) . ?
C14 C24 1.398(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.422(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.345(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.398(8) . ?
C18 C19 1.403(8) . ?
C18 C24 1.390(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.349(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.424(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.370(8) . ?
C22 C23 1.448(7) . ?
C22 C24 1.415(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 C27 1.543(8) . ?
C27 H27 0.9800 . ?
C27 C28 1.536(8) . ?
C27 C29 1.526(8) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.406(8) . ?
C29 C34 1.405(8) . ?
C30 C31 1.394(8) . ?
C31 C32 1.390(8) . ?
C31 C36 1.513(9) . ?
C32 H32 0.9300 . ?
C32 C33 1.358(10) . ?
C33 H33 0.9300 . ?
C33 C34 1.369(10) . ?
C34 H34 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 C36 1.530(10) . ?
C36 H36 0.9800 . ?
C36 C37 1.525(9) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 C39 1.528(8) . ?
C39 H39 0.9800 . ?
C39 C40 1.511(8) . ?
C39 C41 1.511(8) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.404(8) . ?
C41 C46 1.378(8) . ?
C42 H42 0.9300 . ?
C42 C43 1.377(9) . ?
C43 H43 0.9300 . ?
C43 C44 1.348(10) . ?
C44 H44 0.9300 . ?
C44 C45 1.355(9) . ?
C45 C46 1.398(8) . ?
C45 C48 1.515(9) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C47 C48 1.523(10) . ?
C48 H48 0.9800 . ?
C48 C49 1.526(9) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C51 C52 1.472(7) . ?
C51 C62 1.331(7) . ?
C52 C53 1.376(7) . ?
C52 C57 1.420(7) . ?
C53 H53 0.9300 . ?
C53 C54 1.409(8) . ?
C54 H54 0.9300 . ?
C54 C55 1.362(9) . ?
C55 H55 0.9300 . ?
C55 C56 1.419(8) . ?
C56 C57 1.395(7) . ?
C56 C58 1.434(9) . ?
C57 C61 1.415(7) . ?
C58 H58 0.9300 . ?
C58 C59 1.340(9) . ?
C59 H59 0.9300 . ?
C59 C60 1.415(8) . ?
C60 H60 0.9300 . ?
C60 C61 1.354(8) . ?
C61 C62 1.467(7) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C63 C64 1.510(9) . ?
C64 H64 0.9800 . ?
C64 C65 1.543(10) . ?
C64 C66 1.520(9) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 C67 1.391(9) . ?
C66 C70 1.407(8) . ?
C67 H67 0.9300 . ?
C67 C68 1.378(10) . ?
C68 H68 0.9300 . ?
C68 C71 1.365(9) . ?
C69 C70 1.391(8) . ?
C69 C71 1.399(8) . ?
C69 C73 1.501(8) . ?
C71 H71 0.9300 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C72 C73 1.511(8) . ?
C73 H73 0.9800 . ?
C73 C74 1.513(8) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?

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
Cl1 Pd1 Cl2 91.49(7) . . ?
Cl1 Pd1 Cl3 173.27(7) . . ?
Cl3 Pd1 Cl2 85.28(6) . . ?
C50 Pd1 Cl1 93.32(16) . . ?
C50 Pd1 Cl2 171.56(16) . . ?
C50 Pd1 Cl3 90.61(16) . . ?
Cl2 Pd2 Cl3 85.10(6) . . ?
Cl4 Pd2 Cl2 172.30(7) . . ?
Cl4 Pd2 Cl3 90.56(6) . . ?
C25 Pd2 Cl2 93.22(16) . . ?
C25 Pd2 Cl3 174.73(16) . . ?
C25 Pd2 Cl4 91.65(16) . . ?
Pd2 Cl2 Pd1 93.55(6) . . ?
Pd1 Cl3 Pd2 93.21(5) . . ?
C23 N1 C30 122.7(4) . . ?
C25 N1 C23 109.8(4) . . ?
C25 N1 C30 127.5(4) . . ?
C13 N2 C9 122.7(4) . . ?
C25 N2 C9 126.8(4) . . ?
C25 N2 C13 110.1(4) . . ?
C50 N3 C46 123.5(4) . . ?
C50 N3 C51 109.2(4) . . ?
C51 N3 C46 125.6(4) . . ?
C50 N4 C62 108.4(4) . . ?
C50 N4 C70 126.4(4) . . ?
C62 N4 C70 125.0(4) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 H2 107.3 . . ?
C1 C2 C3 109.0(6) . . ?
C3 C2 H2 107.3 . . ?
C4 C2 C1 113.4(5) . . ?
C4 C2 H2 107.3 . . ?
C4 C2 C3 112.3(6) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C2 119.6(6) . . ?
C5 C4 C9 115.5(6) . . ?
C9 C4 C2 124.9(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.1(6) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 118.6 . . ?
C7 C6 C5 122.8(6) . . ?
C7 C6 H6 118.6 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.1(7) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 C9 116.7(6) . . ?
C7 C8 C11 119.6(6) . . ?
C9 C8 C11 123.6(5) . . ?
C4 C9 N2 117.4(5) . . ?
C4 C9 C8 124.7(5) . . ?
C8 C9 N2 117.7(5) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
C8 C11 H11 106.9 . . ?
C10 C11 C8 114.6(6) . . ?
C10 C11 H11 106.9 . . ?
C12 C11 C8 111.1(5) . . ?
C12 C11 C10 110.1(6) . . ?
C12 C11 H11 106.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 142.8(5) . . ?
C23 C13 N2 107.5(4) . . ?
C23 C13 C14 109.7(5) . . ?
C15 C14 C13 137.4(5) . . ?
C15 C14 C24 119.2(5) . . ?
C24 C14 C13 103.3(5) . . ?
C14 C15 H15 121.0 . . ?
C14 C15 C16 118.1(6) . . ?
C16 C15 H15 121.0 . . ?
C15 C16 H16 118.8 . . ?
C17 C16 C15 122.4(6) . . ?
C17 C16 H16 118.8 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(6) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C19 126.8(6) . . ?
C24 C18 C17 116.6(6) . . ?
C24 C18 C19 116.6(6) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.8(6) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 117.9 . . ?
C19 C20 C21 124.1(6) . . ?
C21 C20 H20 117.9 . . ?
C20 C21 H21 121.5 . . ?
C22 C21 C20 116.9(6) . . ?
C22 C21 H21 121.5 . . ?
C21 C22 C23 137.5(5) . . ?
C21 C22 C24 118.8(5) . . ?
C24 C22 C23 103.7(5) . . ?
N1 C23 C22 142.7(5) . . ?
C13 C23 N1 107.1(4) . . ?
C13 C23 C22 110.1(5) . . ?
C14 C24 C22 113.2(5) . . ?
C18 C24 C14 123.1(5) . . ?
C18 C24 C22 123.6(5) . . ?
N1 C25 Pd2 124.6(4) . . ?
N2 C25 Pd2 129.6(4) . . ?
N2 C25 N1 105.5(4) . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
C26 C27 H27 107.1 . . ?
C28 C27 C26 109.3(6) . . ?
C28 C27 H27 107.1 . . ?
C29 C27 C26 113.1(5) . . ?
C29 C27 H27 107.1 . . ?
C29 C27 C28 112.6(6) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C27 122.8(5) . . ?
C34 C29 C27 121.5(6) . . ?
C34 C29 C30 115.7(6) . . ?
C29 C30 N1 117.4(5) . . ?
C31 C30 N1 118.1(5) . . ?
C31 C30 C29 124.2(5) . . ?
C30 C31 C36 123.3(5) . . ?
C32 C31 C30 116.2(6) . . ?
C32 C31 C36 120.5(6) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.6(6) . . ?
C33 C32 H32 119.2 . . ?
C32 C33 H33 119.2 . . ?
C32 C33 C34 121.5(6) . . ?
C34 C33 H33 119.2 . . ?
C29 C34 H34 119.6 . . ?
C33 C34 C29 120.8(6) . . ?
C33 C34 H34 119.6 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
C31 C36 C35 109.8(7) . . ?
C31 C36 H36 108.2 . . ?
C31 C36 C37 112.4(6) . . ?
C35 C36 H36 108.2 . . ?
C37 C36 C35 110.0(6) . . ?
C37 C36 H36 108.2 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
H38C C38 H38A 109.5 . . ?
H38C C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
C38 C39 H39 107.9 . . ?
C40 C39 C38 108.2(5) . . ?
C40 C39 H39 107.9 . . ?
C40 C39 C41 113.4(5) . . ?
C41 C39 C38 111.4(5) . . ?
C41 C39 H39 107.9 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C39 119.3(6) . . ?
C46 C41 C39 124.9(5) . . ?
C46 C41 C42 115.6(6) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.1(7) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 119.7 . . ?
C44 C43 C42 120.6(7) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.5(7) . . ?
C45 C44 H44 119.3 . . ?
C44 C45 C46 117.8(6) . . ?
C44 C45 C48 119.0(6) . . ?
C46 C45 C48 123.1(5) . . ?
C41 C46 N3 119.5(5) . . ?
C41 C46 C45 123.4(5) . . ?
C45 C46 N3 117.1(5) . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C48 C47 H47C 109.5 . . ?
C45 C48 C47 107.8(7) . . ?
C45 C48 H48 108.1 . . ?
C45 C48 C49 115.1(6) . . ?
C47 C48 H48 108.1 . . ?
C47 C48 C49 109.5(6) . . ?
C49 C48 H48 108.1 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N3 C50 Pd1 129.3(4) . . ?
N4 C50 Pd1 123.4(4) . . ?
N4 C50 N3 106.5(4) . . ?
N3 C51 C52 142.9(5) . . ?
C62 C51 N3 107.4(5) . . ?
C62 C51 C52 109.6(5) . . ?
C53 C52 C51 138.1(5) . . ?
C53 C52 C57 118.6(5) . . ?
C57 C52 C51 103.3(5) . . ?
C52 C53 H53 120.7 . . ?
C52 C53 C54 118.5(6) . . ?
C54 C53 H53 120.7 . . ?
C53 C54 H54 118.7 . . ?
C55 C54 C53 122.7(6) . . ?
C55 C54 H54 118.7 . . ?
C54 C55 H55 119.7 . . ?
C54 C55 C56 120.6(6) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 C58 128.2(6) . . ?
C57 C56 C55 116.1(6) . . ?
C57 C56 C58 115.7(6) . . ?
C56 C57 C52 123.4(5) . . ?
C56 C57 C61 123.6(5) . . ?
C61 C57 C52 112.9(5) . . ?
C56 C58 H58 119.6 . . ?
C59 C58 C56 120.8(6) . . ?
C59 C58 H58 119.6 . . ?
C58 C59 H59 119.1 . . ?
C58 C59 C60 121.8(6) . . ?
C60 C59 H59 119.1 . . ?
C59 C60 H60 119.9 . . ?
C61 C60 C59 120.2(6) . . ?
C61 C60 H60 119.9 . . ?
C57 C61 C62 102.6(5) . . ?
C60 C61 C57 117.9(5) . . ?
C60 C61 C62 139.5(6) . . ?
N4 C62 C61 140.0(5) . . ?
C51 C62 N4 108.5(5) . . ?
C51 C62 C61 111.5(5) . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
C63 C64 H64 107.3 . . ?
C63 C64 C65 109.2(7) . . ?
C63 C64 C66 115.4(6) . . ?
C65 C64 H64 107.3 . . ?
C66 C64 H64 107.3 . . ?
C66 C64 C65 109.9(7) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C67 C66 C64 118.8(6) . . ?
C67 C66 C70 116.6(6) . . ?
C70 C66 C64 124.6(6) . . ?
C66 C67 H67 119.5 . . ?
C68 C67 C66 121.1(7) . . ?
C68 C67 H67 119.5 . . ?
C67 C68 H68 119.8 . . ?
C71 C68 C67 120.3(6) . . ?
C71 C68 H68 119.8 . . ?
C70 C69 C71 115.7(6) . . ?
C70 C69 C73 125.2(5) . . ?
C71 C69 C73 119.0(6) . . ?
C66 C70 N4 117.8(5) . . ?
C69 C70 N4 118.1(5) . . ?
C69 C70 C66 123.9(5) . . ?
C68 C71 C69 122.3(7) . . ?
C68 C71 H71 118.8 . . ?
C69 C71 H71 118.8 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 C72 H72A 109.5 . . ?
C73 C72 H72B 109.5 . . ?
C73 C72 H72C 109.5 . . ?
C69 C73 C72 111.0(5) . . ?
C69 C73 H73 107.9 . . ?
C69 C73 C74 111.6(5) . . ?
C72 C73 H73 107.9 . . ?
C72 C73 C74 110.5(6) . . ?
C74 C73 H73 107.9 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C30 C31 C32 174.2(5) . . . . ?
N1 C30 C31 C36 -3.9(9) . . . . ?
N2 C13 C14 C15 -2.8(13) . . . . ?
N2 C13 C14 C24 -179.3(7) . . . . ?
N2 C13 C23 N1 0.0(6) . . . . ?
N2 C13 C23 C22 179.0(4) . . . . ?
N3 C51 C52 C53 -1.8(13) . . . . ?
N3 C51 C52 C57 -179.7(7) . . . . ?
N3 C51 C62 N4 0.8(6) . . . . ?
N3 C51 C62 C61 -179.2(4) . . . . ?
C1 C2 C4 C5 -45.5(8) . . . . ?
C1 C2 C4 C9 138.1(6) . . . . ?
C2 C4 C5 C6 -177.9(6) . . . . ?
C2 C4 C9 N2 -0.4(8) . . . . ?
C2 C4 C9 C8 174.8(5) . . . . ?
C3 C2 C4 C5 78.7(7) . . . . ?
C3 C2 C4 C9 -97.8(7) . . . . ?
C4 C5 C6 C7 3.0(10) . . . . ?
C5 C4 C9 N2 -177.0(5) . . . . ?
C5 C4 C9 C8 -1.8(8) . . . . ?
C5 C6 C7 C8 -2.0(10) . . . . ?
C6 C7 C8 C9 -0.9(9) . . . . ?
C6 C7 C8 C11 175.6(6) . . . . ?
C7 C8 C9 N2 177.9(5) . . . . ?
C7 C8 C9 C4 2.8(8) . . . . ?
C7 C8 C11 C10 41.5(8) . . . . ?
C7 C8 C11 C12 -84.0(7) . . . . ?
C9 N2 C13 C14 -7.0(11) . . . . ?
C9 N2 C13 C23 172.7(5) . . . . ?
C9 N2 C25 Pd2 13.7(8) . . . . ?
C9 N2 C25 N1 -172.6(5) . . . . ?
C9 C4 C5 C6 -1.1(9) . . . . ?
C9 C8 C11 C10 -142.3(6) . . . . ?
C9 C8 C11 C12 92.2(7) . . . . ?
C11 C8 C9 N2 1.7(8) . . . . ?
C11 C8 C9 C4 -173.5(5) . . . . ?
C13 N2 C9 C4 89.5(6) . . . . ?
C13 N2 C9 C8 -86.0(6) . . . . ?
C13 N2 C25 Pd2 -174.4(4) . . . . ?
C13 N2 C25 N1 -0.6(6) . . . . ?
C13 C14 C15 C16 -176.1(6) . . . . ?
C13 C14 C24 C18 176.9(5) . . . . ?
C13 C14 C24 C22 -0.5(6) . . . . ?
C14 C13 C23 N1 179.8(4) . . . . ?
C14 C13 C23 C22 -1.1(6) . . . . ?
C14 C15 C16 C17 0.4(10) . . . . ?
C15 C14 C24 C18 -0.4(9) . . . . ?
C15 C14 C24 C22 -177.8(5) . . . . ?
C15 C16 C17 C18 -0.4(10) . . . . ?
C16 C17 C18 C19 178.7(6) . . . . ?
C16 C17 C18 C24 0.0(9) . . . . ?
C17 C18 C19 C20 -178.5(6) . . . . ?
C17 C18 C24 C14 0.4(8) . . . . ?
C17 C18 C24 C22 177.6(5) . . . . ?
C18 C19 C20 C21 1.1(10) . . . . ?
C19 C18 C24 C14 -178.4(5) . . . . ?
C19 C18 C24 C22 -1.3(8) . . . . ?
C19 C20 C21 C22 -1.5(10) . . . . ?
C20 C21 C22 C23 178.2(7) . . . . ?
C20 C21 C22 C24 0.4(8) . . . . ?
C21 C22 C23 N1 1.2(14) . . . . ?
C21 C22 C23 C13 -177.2(7) . . . . ?
C21 C22 C24 C14 178.4(5) . . . . ?
C21 C22 C24 C18 0.9(9) . . . . ?
C23 N1 C25 Pd2 174.8(4) . . . . ?
C23 N1 C25 N2 0.6(6) . . . . ?
C23 N1 C30 C29 85.2(7) . . . . ?
C23 N1 C30 C31 -89.4(7) . . . . ?
C23 C13 C14 C15 177.5(7) . . . . ?
C23 C13 C14 C24 1.0(6) . . . . ?
C23 C22 C24 C14 -0.1(6) . . . . ?
C23 C22 C24 C18 -177.5(5) . . . . ?
C24 C14 C15 C16 -0.1(8) . . . . ?
C24 C18 C19 C20 0.3(9) . . . . ?
C24 C22 C23 N1 179.2(7) . . . . ?
C24 C22 C23 C13 0.8(6) . . . . ?
C25 N1 C23 C13 -0.4(6) . . . . ?
C25 N1 C23 C22 -178.9(7) . . . . ?
C25 N1 C30 C29 -92.3(7) . . . . ?
C25 N1 C30 C31 93.1(7) . . . . ?
C25 N2 C9 C4 -99.5(6) . . . . ?
C25 N2 C9 C8 85.0(6) . . . . ?
C25 N2 C13 C14 -179.4(7) . . . . ?
C25 N2 C13 C23 0.4(6) . . . . ?
C26 C27 C29 C30 -93.6(7) . . . . ?
C26 C27 C29 C34 85.4(7) . . . . ?
C27 C29 C30 N1 5.5(8) . . . . ?
C27 C29 C30 C31 179.7(6) . . . . ?
C27 C29 C34 C33 -179.8(6) . . . . ?
C28 C27 C29 C30 141.8(6) . . . . ?
C28 C27 C29 C34 -39.2(8) . . . . ?
C29 C30 C31 C32 0.0(9) . . . . ?
C29 C30 C31 C36 -178.1(6) . . . . ?
C30 N1 C23 C13 -178.3(5) . . . . ?
C30 N1 C23 C22 3.2(11) . . . . ?
C30 N1 C25 Pd2 -7.4(8) . . . . ?
C30 N1 C25 N2 178.4(5) . . . . ?
C30 C29 C34 C33 -0.7(10) . . . . ?
C30 C31 C32 C33 -0.7(10) . . . . ?
C30 C31 C36 C35 101.6(7) . . . . ?
C30 C31 C36 C37 -135.7(6) . . . . ?
C31 C32 C33 C34 0.7(12) . . . . ?
C32 C31 C36 C35 -76.4(8) . . . . ?
C32 C31 C36 C37 46.3(9) . . . . ?
C32 C33 C34 C29 0.0(11) . . . . ?
C34 C29 C30 N1 -173.5(5) . . . . ?
C34 C29 C30 C31 0.7(9) . . . . ?
C36 C31 C32 C33 177.4(7) . . . . ?
C38 C39 C41 C42 73.0(7) . . . . ?
C38 C39 C41 C46 -102.2(7) . . . . ?
C39 C41 C42 C43 -175.8(7) . . . . ?
C39 C41 C46 N3 -8.0(8) . . . . ?
C39 C41 C46 C45 172.7(5) . . . . ?
C40 C39 C41 C42 -49.4(8) . . . . ?
C40 C39 C41 C46 135.5(6) . . . . ?
C41 C42 C43 C44 2.3(13) . . . . ?
C42 C41 C46 N3 176.6(5) . . . . ?
C42 C41 C46 C45 -2.7(9) . . . . ?
C42 C43 C44 C45 -1.6(14) . . . . ?
C43 C44 C45 C46 -1.1(11) . . . . ?
C43 C44 C45 C48 174.1(8) . . . . ?
C44 C45 C46 N3 -176.0(6) . . . . ?
C44 C45 C46 C41 3.3(9) . . . . ?
C44 C45 C48 C47 -77.6(8) . . . . ?
C44 C45 C48 C49 44.8(10) . . . . ?
C46 N3 C50 Pd1 26.2(7) . . . . ?
C46 N3 C50 N4 -164.1(4) . . . . ?
C46 N3 C51 C52 -17.2(11) . . . . ?
C46 N3 C51 C62 163.7(5) . . . . ?
C46 C41 C42 C43 -0.1(10) . . . . ?
C46 C45 C48 C47 97.3(7) . . . . ?
C46 C45 C48 C49 -140.3(7) . . . . ?
C48 C45 C46 N3 9.0(9) . . . . ?
C48 C45 C46 C41 -171.6(6) . . . . ?
C50 N3 C46 C41 -98.8(6) . . . . ?
C50 N3 C46 C45 80.5(7) . . . . ?
C50 N3 C51 C52 177.7(7) . . . . ?
C50 N3 C51 C62 -1.4(6) . . . . ?
C50 N4 C62 C51 0.1(6) . . . . ?
C50 N4 C62 C61 -179.9(7) . . . . ?
C50 N4 C70 C66 -85.1(7) . . . . ?
C50 N4 C70 C69 97.7(7) . . . . ?
C51 N3 C46 C41 98.1(6) . . . . ?
C51 N3 C46 C45 -82.6(7) . . . . ?
C51 N3 C50 Pd1 -168.3(4) . . . . ?
C51 N3 C50 N4 1.4(6) . . . . ?
C51 C52 C53 C54 -176.6(6) . . . . ?
C51 C52 C57 C56 179.6(5) . . . . ?
C51 C52 C57 C61 -0.4(6) . . . . ?
C52 C51 C62 N4 -178.6(4) . . . . ?
C52 C51 C62 C61 1.4(6) . . . . ?
C52 C53 C54 C55 -3.1(9) . . . . ?
C52 C57 C61 C60 -178.8(5) . . . . ?
C52 C57 C61 C62 1.1(6) . . . . ?
C53 C52 C57 C56 1.2(8) . . . . ?
C53 C52 C57 C61 -178.8(5) . . . . ?
C53 C54 C55 C56 2.9(10) . . . . ?
C54 C55 C56 C57 -0.5(9) . . . . ?
C54 C55 C56 C58 179.1(6) . . . . ?
C55 C56 C57 C52 -1.5(8) . . . . ?
C55 C56 C57 C61 178.5(5) . . . . ?
C55 C56 C58 C59 -179.4(7) . . . . ?
C56 C57 C61 C60 1.2(9) . . . . ?
C56 C57 C61 C62 -178.9(5) . . . . ?
C56 C58 C59 C60 0.6(11) . . . . ?
C57 C52 C53 C54 1.0(8) . . . . ?
C57 C56 C58 C59 0.3(10) . . . . ?
C57 C61 C62 N4 178.4(7) . . . . ?
C57 C61 C62 C51 -1.5(6) . . . . ?
C58 C56 C57 C52 178.8(5) . . . . ?
C58 C56 C57 C61 -1.2(9) . . . . ?
C58 C59 C60 C61 -0.7(11) . . . . ?
C59 C60 C61 C57 -0.2(9) . . . . ?
C59 C60 C61 C62 179.8(7) . . . . ?
C60 C61 C62 N4 -1.7(13) . . . . ?
C60 C61 C62 C51 178.4(7) . . . . ?
C62 N4 C50 Pd1 169.6(4) . . . . ?
C62 N4 C50 N3 -0.9(6) . . . . ?
C62 N4 C70 C66 89.1(7) . . . . ?
C62 N4 C70 C69 -88.0(7) . . . . ?
C62 C51 C52 C53 177.2(7) . . . . ?
C62 C51 C52 C57 -0.6(6) . . . . ?
C63 C64 C66 C67 -37.3(10) . . . . ?
C63 C64 C66 C70 144.2(7) . . . . ?
C64 C66 C67 C68 -178.2(6) . . . . ?
C64 C66 C70 N4 0.1(9) . . . . ?
C64 C66 C70 C69 177.1(6) . . . . ?
C65 C64 C66 C67 86.7(8) . . . . ?
C65 C64 C66 C70 -91.8(8) . . . . ?
C66 C67 C68 C71 0.3(11) . . . . ?
C67 C66 C70 N4 -178.5(5) . . . . ?
C67 C66 C70 C69 -1.5(9) . . . . ?
C67 C68 C71 C69 -0.2(10) . . . . ?
C70 N4 C50 Pd1 -15.3(7) . . . . ?
C70 N4 C50 N3 174.2(5) . . . . ?
C70 N4 C62 C51 -175.1(5) . . . . ?
C70 N4 C62 C61 5.0(11) . . . . ?
C70 C66 C67 C68 0.5(10) . . . . ?
C70 C69 C71 C68 -0.7(9) . . . . ?
C70 C69 C73 C72 105.1(7) . . . . ?
C70 C69 C73 C74 -131.2(6) . . . . ?
C71 C69 C70 N4 178.5(5) . . . . ?
C71 C69 C70 C66 1.6(9) . . . . ?
C71 C69 C73 C72 -73.6(7) . . . . ?
C71 C69 C73 C74 50.1(7) . . . . ?
C73 C69 C70 N4 -0.1(8) . . . . ?
C73 C69 C70 C66 -177.1(5) . . . . ?
C73 C69 C71 C68 178.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
