#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:22:09 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261708 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/77/1557774.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557774
loop_
_publ_author_name
'Tashiro, Shohei'
'Umeki, Tsutomu'
'Kubota, Ryou'
'Shionoya, Mitsuhiko'
_publ_section_title
;
 Face-selective adsorption of a prochiral compound on the chiral
 pore-surface of a metal-macrocycle framework (MMF) directed towards
 stereoselective reactions.
;
_journal_name_full               'Faraday discussions'
_journal_page_first              197
_journal_page_last               209
_journal_paper_doi               10.1039/d0fd00019a
_journal_volume                  225
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety
'2(C42 H42 Cl6 N6 Pd3), 0.301(C8 H8 Cl O), 0.25(C7 H4 Cl O), 0.25(C7), 0.5(C8 H7 O2), 1.399(O), 2.25(C2 H3 N)'
_chemical_formula_sum            'C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6'
_chemical_formula_weight         2610.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-12-27 deposited with the CCDC.	2020-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.7890(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.3380(3)
_cell_length_b                   52.9530(10)
_cell_length_c                   19.7623(4)
_cell_measurement_reflns_used    139619
_cell_measurement_temperature    98
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      1.62
_cell_volume                     15002.9(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      98
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       68
_diffrn_reflns_limit_k_min       -68
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            245595
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.615
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.966
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             5203.04
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.96
_refine_diff_density_min         -1.79
_refine_ls_abs_structure_details
;
 Flack x determined using 16096 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.068(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     2293
_refine_ls_number_reflns         68909
_refine_ls_number_restraints     512
_refine_ls_R_factor_all          0.1188
_refine_ls_R_factor_gt           0.0787
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1798P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2253
_refine_ls_wR_factor_ref         0.2658
_reflns_Friedel_coverage         0.978
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                44483
_reflns_number_total             68909
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0fd00019a1.cif
_cod_data_source_block           HAPCPE@MMF
_cod_depositor_comments
'Adding full bibliography for 1557771--1557774.cif.'
_cod_database_code               1557774
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
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 0.23722(5) 0.31689(2) 0.40916(4) 0.0421(2) Uani 1 1 d . . . . .
Pd2 Pd 0.42144(6) 0.32069(2) -0.04075(5) 0.0484(2) Uani 1 1 d . . . . .
Pd3 Pd 0.84507(6) 0.28492(2) 0.27831(5) 0.0512(3) Uani 1 1 d . . . . .
Cl1 Cl 0.26412(19) 0.27367(7) 0.41209(14) 0.0488(7) Uani 1 1 d . . . . .
Cl2 Cl 0.07677(18) 0.31244(7) 0.41120(15) 0.0511(8) Uani 1 1 d . . . . .
Cl3 Cl 0.3583(2) 0.28182(7) -0.01529(18) 0.0587(8) Uani 1 1 d . . . . .
Cl4 Cl 0.4957(2) 0.30545(8) -0.13493(17) 0.0601(9) Uani 1 1 d . . . . .
Cl5 Cl 0.8136(3) 0.25456(9) 0.1974(2) 0.0768(11) Uani 1 1 d . . . . .
Cl6 Cl 0.8760(3) 0.25584(8) 0.3618(2) 0.0730(11) Uani 1 1 d . . . . .
N1 N 0.3767(6) 0.3236(2) 0.4186(5) 0.049(3) Uani 1 1 d . . . . .
H1N H 0.401462 0.313080 0.456953 0.059 Uiso 1 1 calc R U . . .
N2 N 0.2241(6) 0.3552(2) 0.4031(5) 0.046(2) Uani 1 1 d . . . . .
H2N H 0.176865 0.360044 0.437525 0.055 Uiso 1 1 calc R U . . .
N3 N 0.3545(7) 0.3363(2) 0.0399(5) 0.052(3) Uani 1 1 d . . . . .
H3N H 0.287429 0.331047 0.038690 0.062 Uiso 1 1 calc R U . . .
N4 N 0.4728(7) 0.3571(2) -0.0568(6) 0.053(3) Uani 1 1 d . . . . .
H4N H 0.455115 0.361701 -0.104354 0.064 Uiso 1 1 calc R U . . .
N5 N 0.8140(7) 0.3122(2) 0.2102(5) 0.051(3) Uani 1 1 d . . . . .
H5N H 0.842844 0.307594 0.166081 0.061 Uiso 1 1 calc R U . . .
N6 N 0.8805(6) 0.3151(2) 0.3400(5) 0.051(3) Uani 1 1 d . . . . .
H6N H 0.946628 0.311844 0.354172 0.062 Uiso 1 1 calc R U . . .
C1 C 0.3884(8) 0.3508(3) 0.4372(6) 0.044(3) Uani 1 1 d . . . . .
C2 C 0.4676(9) 0.3596(3) 0.4676(7) 0.057(3) Uani 1 1 d . . . . .
H2A H 0.517512 0.348391 0.478131 0.069 Uiso 1 1 calc R U . . .
C3 C 0.4747(9) 0.3854(3) 0.4831(7) 0.061(4) Uani 1 1 d . . . . .
H3A H 0.529533 0.391691 0.504674 0.073 Uiso 1 1 calc R U . . .
C4 C 0.4044(12) 0.4012(3) 0.4677(8) 0.068(4) Uani 1 1 d . . . . .
H4A H 0.411643 0.418718 0.476133 0.082 Uiso 1 1 calc R U . . .
C5 C 0.3198(10) 0.3923(3) 0.4391(7) 0.060(4) Uani 1 1 d . . . . .
H5A H 0.269453 0.403412 0.429397 0.072 Uiso 1 1 calc R U . . .
C6 C 0.3130(8) 0.3666(2) 0.4257(6) 0.046(3) Uani 1 1 d . . . . .
C7 C 0.1887(8) 0.3654(3) 0.3367(6) 0.050(3) Uani 1 1 d . . . . .
H7A H 0.191597 0.384038 0.337721 0.060 Uiso 1 1 calc R U . . .
H7B H 0.122591 0.360414 0.330324 0.060 Uiso 1 1 calc R U . . .
C8 C 0.2450(8) 0.3557(3) 0.2768(6) 0.047(3) Uani 1 1 d . . . . .
C9 C 0.2121(9) 0.3356(3) 0.2384(7) 0.055(3) Uani 1 1 d . . . . .
H9A H 0.153988 0.328128 0.249476 0.066 Uiso 1 1 calc R U . . .
C10 C 0.3273(9) 0.3662(3) 0.2572(6) 0.054(3) Uani 1 1 d . . . . .
H10A H 0.349106 0.380554 0.281388 0.064 Uiso 1 1 calc R U . . .
C11 C 0.2606(9) 0.3264(3) 0.1857(6) 0.054(3) Uani 1 1 d . . . . .
H11A H 0.235675 0.312570 0.160643 0.065 Uiso 1 1 calc R U . . .
C12 C 0.3808(8) 0.3574(3) 0.2051(7) 0.051(3) Uani 1 1 d . . . . .
H12A H 0.438890 0.365124 0.195091 0.061 Uiso 1 1 calc R U . . .
C13 C 0.3475(9) 0.3367(3) 0.1667(6) 0.056(3) Uani 1 1 d . . . . .
C14 C 0.3995(10) 0.3276(3) 0.1071(6) 0.054(3) Uani 1 1 d . . . . .
H14A H 0.401713 0.308899 0.108029 0.065 Uiso 1 1 calc R U . . .
H14B H 0.464368 0.333914 0.109812 0.065 Uiso 1 1 calc R U . . .
C15 C 0.3607(9) 0.3643(3) 0.0301(7) 0.053(3) Uani 1 1 d . . . . .
C16 C 0.3042(12) 0.3808(4) 0.0677(7) 0.073(5) Uani 1 1 d . . . . .
H16A H 0.260734 0.374639 0.099554 0.087 Uiso 1 1 calc R U . . .
C17 C 0.3148(15) 0.4069(4) 0.0562(9) 0.084(5) Uani 1 1 d . . . . .
H17A H 0.276756 0.418386 0.080387 0.101 Uiso 1 1 calc R U . . .
C18 C 0.3717(15) 0.4155(3) 0.0157(10) 0.079(5) Uani 1 1 d . . . . .
H18 H 0.376897 0.433230 0.009722 0.095 Uiso 1 1 calc R U . . .
C19 C 0.4280(13) 0.3994(4) -0.0211(8) 0.074(5) Uani 1 1 d . . . . .
H19A H 0.472062 0.406096 -0.051733 0.088 Uiso 1 1 calc R U . . .
C20 C 0.4203(10) 0.3737(3) -0.0133(6) 0.063(4) Uani 1 1 d . . . . .
C21 C 0.5749(9) 0.3594(3) -0.0517(7) 0.059(4) Uani 1 1 d . . . . .
H21A H 0.592252 0.377518 -0.053778 0.071 Uiso 1 1 calc R U . . .
H21B H 0.603450 0.350807 -0.090713 0.071 Uiso 1 1 calc R U . . .
C22 C 0.6144(9) 0.3479(3) 0.0148(6) 0.055(3) Uani 1 1 d . . . . .
C23 C 0.6399(9) 0.3230(3) 0.0164(7) 0.058(3) Uani 1 1 d . . . . .
H23A H 0.635773 0.313162 -0.023812 0.069 Uiso 1 1 calc R U . . .
C24 C 0.6206(10) 0.3625(3) 0.0737(7) 0.061(4) Uani 1 1 d . . . . .
H24A H 0.604711 0.379946 0.071737 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6717(8) 0.3118(3) 0.0761(6) 0.053(3) Uani 1 1 d . . . . .
H25 H 0.690730 0.294621 0.076387 0.064 Uiso 1 1 calc R U . . .
C26 C 0.6491(9) 0.3523(3) 0.1339(7) 0.057(4) Uani 1 1 d . . . . .
H26 H 0.651503 0.362230 0.173898 0.069 Uiso 1 1 calc R U . . .
C27 C 0.6755(8) 0.3259(3) 0.1352(6) 0.055(3) Uani 1 1 d . . . . .
C28 C 0.7070(8) 0.3137(3) 0.1995(6) 0.056(3) Uani 1 1 d . . . . .
H28A H 0.681441 0.296297 0.200733 0.067 Uiso 1 1 calc R U . . .
H28B H 0.680017 0.323072 0.237876 0.067 Uiso 1 1 calc R U . . .
C29 C 0.8590(6) 0.3374(2) 0.2355(5) 0.038(3) Uani 1 1 d . . . . .
C30 C 0.8649(10) 0.3571(3) 0.1876(7) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.844051 0.355631 0.141943 0.070 Uiso 1 1 calc R U . . .
C31 C 0.9060(12) 0.3796(4) 0.2156(9) 0.074(4) Uani 1 1 d . . . . .
H31 H 0.914787 0.394101 0.187942 0.089 Uiso 1 1 calc R U . . .
C32 C 0.9326(10) 0.3801(3) 0.2831(7) 0.059(3) Uani 1 1 d . . . . .
H32 H 0.959011 0.395094 0.301340 0.070 Uiso 1 1 calc R U . . .
C33 C 0.9224(10) 0.3596(4) 0.3245(7) 0.066(4) Uani 1 1 d . . . . .
H33 H 0.941349 0.360713 0.370625 0.080 Uiso 1 1 calc R U . . .
C34 C 0.8845(8) 0.3373(3) 0.2998(6) 0.052(3) Uani 1 1 d . . . . .
C35 C 0.8286(8) 0.3178(3) 0.4052(6) 0.054(3) Uani 1 1 d . . . . .
H35A H 0.845647 0.334015 0.427176 0.065 Uiso 1 1 calc R U . . .
H35B H 0.846204 0.303926 0.436315 0.065 Uiso 1 1 calc R U . . .
C36 C 0.7250(8) 0.3172(3) 0.3915(5) 0.051(3) Uani 1 1 d . . . . .
C37 C 0.6741(9) 0.2967(3) 0.4053(6) 0.048(3) Uani 1 1 d . . . . .
H37 H 0.703540 0.282037 0.423094 0.058 Uiso 1 1 calc R U . . .
C38 C 0.6801(9) 0.3395(3) 0.3653(6) 0.050(3) Uani 1 1 d . . . . .
H38 H 0.714849 0.354510 0.358048 0.060 Uiso 1 1 calc R U . . .
C39 C 0.5767(8) 0.2968(3) 0.3937(6) 0.052(3) Uani 1 1 d . . . . .
H39 H 0.540856 0.282476 0.405758 0.063 Uiso 1 1 calc R U . . .
C40 C 0.5843(8) 0.3387(3) 0.3508(7) 0.054(3) Uani 1 1 d . . . . .
H40 H 0.554411 0.352882 0.330819 0.064 Uiso 1 1 calc R U . . .
C41 C 0.5331(8) 0.3173(3) 0.3653(6) 0.045(3) Uani 1 1 d . . . . .
C42 C 0.4265(7) 0.3157(3) 0.3547(6) 0.050(3) Uani 1 1 d . . . . .
H42A H 0.407269 0.326881 0.316858 0.060 Uiso 1 1 calc R U . . .
H42B H 0.408800 0.298178 0.342625 0.060 Uiso 1 1 calc R U . . .
Pd4 Pd 0.53493(6) 0.23023(2) 0.42884(5) 0.0559(3) Uani 1 1 d D . . . .
Pd5 Pd 0.02031(12) 0.14199(3) 0.19812(7) 0.0812(4) Uani 1 1 d D . . . .
Pd6 Pd 0.47820(18) 0.05988(4) 0.34957(15) 0.1436(10) Uani 1 1 d D . . . .
Cl7 Cl 0.6729(2) 0.23196(9) 0.4897(2) 0.0711(10) Uani 1 1 d . . . . .
Cl8 Cl 0.4451(2) 0.22466(8) 0.52286(17) 0.0631(9) Uani 1 1 d . . . . .
Cl9 Cl -0.0049(5) 0.15433(11) 0.0877(3) 0.1047(17) Uani 1 1 d . . . . .
Cl10 Cl 0.0548(6) 0.10168(11) 0.1653(3) 0.116(2) Uani 1 1 d . . . . .
Cl11 Cl 0.4028(6) 0.02142(13) 0.3550(5) 0.155(4) Uani 1 1 d . . . . .
Cl12 Cl 0.4813(8) 0.0658(2) 0.4663(5) 0.185(4) Uani 1 1 d . . . . .
N7 N 0.6045(7) 0.2348(2) 0.3391(5) 0.055(3) Uani 1 1 d D . . . .
H7N H 0.647087 0.249624 0.345299 0.066 Uiso 1 1 calc R U . . .
N8 N 0.4167(6) 0.2298(2) 0.3698(5) 0.049(2) Uani 1 1 d D . . . .
H8N H 0.369431 0.241057 0.390986 0.059 Uiso 1 1 calc R U . . .
N9 N -0.0318(9) 0.1755(2) 0.2314(6) 0.072(4) Uani 1 1 d D . . . .
H9N H -0.093584 0.177696 0.207992 0.087 Uiso 1 1 calc R U . . .
N10 N 0.0434(11) 0.1336(3) 0.2986(6) 0.093(5) Uani 1 1 d D . . . .
H10N H 0.020532 0.116125 0.307988 0.112 Uiso 1 1 calc R U . . .
N11 N 0.4793(15) 0.0581(3) 0.2465(8) 0.154(9) Uani 1 1 d D U . . .
H11N H 0.503965 0.040813 0.237033 0.185 Uiso 1 1 calc R U . . .
N12 N 0.5496(13) 0.0933(3) 0.3373(10) 0.148(8) Uani 1 1 d D U . . .
H12N H 0.601755 0.093908 0.371355 0.177 Uiso 1 1 calc R U . . .
C43 C 0.5346(8) 0.2421(3) 0.2863(7) 0.059(4) Uani 1 1 d D . . . .
C44 C 0.5628(9) 0.2520(3) 0.2234(7) 0.061(4) Uani 1 1 d . . . . .
H44 H 0.626813 0.252955 0.211959 0.073 Uiso 1 1 calc R U . . .
C45 C 0.4963(10) 0.2599(4) 0.1805(8) 0.070(4) Uani 1 1 d . . . . .
H45 H 0.514908 0.266218 0.137790 0.084 Uiso 1 1 calc R U . . .
C46 C 0.3983(11) 0.2595(3) 0.1948(9) 0.070(4) Uani 1 1 d . . . . .
H46 H 0.352584 0.265471 0.163484 0.084 Uiso 1 1 calc R U . . .
C47 C 0.3753(9) 0.2498(3) 0.2574(6) 0.051(3) Uani 1 1 d . . . . .
H47 H 0.311571 0.249623 0.269762 0.061 Uiso 1 1 calc R U . . .
C48 C 0.4408(10) 0.2404(3) 0.3026(7) 0.062(4) Uani 1 1 d D . . . .
C49 C 0.3768(9) 0.2030(3) 0.3668(8) 0.056(3) Uani 1 1 d D . . . .
H49A H 0.423061 0.191668 0.345827 0.068 Uiso 1 1 calc R U . . .
H49B H 0.366261 0.196968 0.413488 0.068 Uiso 1 1 calc R U . . .
C50 C 0.2861(8) 0.2015(3) 0.3270(7) 0.056(3) Uani 1 1 d D . . . .
C51 C 0.2073(10) 0.2100(3) 0.3584(8) 0.061(4) Uani 1 1 d . . . . .
H51 H 0.210711 0.215781 0.403829 0.073 Uiso 1 1 calc R U . . .
C52 C 0.2825(10) 0.1926(3) 0.2624(7) 0.053(3) Uani 1 1 d . . . . .
H52 H 0.338489 0.187349 0.241498 0.064 Uiso 1 1 calc R U . . .
C53 C 0.1185(10) 0.2101(3) 0.3220(7) 0.063(4) Uani 1 1 d . . . . .
H53 H 0.064060 0.216849 0.342079 0.075 Uiso 1 1 calc R U . . .
C54 C 0.1975(11) 0.1911(3) 0.2260(8) 0.062(4) Uani 1 1 d . . . . .
H54 H 0.196762 0.184084 0.181672 0.074 Uiso 1 1 calc R U . . .
C55 C 0.1152(9) 0.1995(3) 0.2538(7) 0.057(3) Uani 1 1 d D . . . .
C56 C 0.0231(11) 0.1994(3) 0.2169(9) 0.070(4) Uani 1 1 d D . . . .
H56A H 0.033686 0.200714 0.167620 0.084 Uiso 1 1 calc R U . . .
H56B H -0.013749 0.214312 0.230829 0.084 Uiso 1 1 calc R U . . .
C57 C -0.0523(12) 0.1724(4) 0.3040(8) 0.081(5) Uani 1 1 d D . . . .
C58 C -0.1084(10) 0.1890(4) 0.3379(10) 0.087(6) Uani 1 1 d . . . . .
H58 H -0.133482 0.203039 0.313736 0.104 Uiso 1 1 calc R U . . .
C59 C -0.1297(10) 0.1865(4) 0.4042(10) 0.078(5) Uani 1 1 d . . . . .
H59 H -0.167545 0.198760 0.425688 0.093 Uiso 1 1 calc R U . . .
C60 C -0.0989(15) 0.1677(5) 0.4374(12) 0.100(7) Uani 1 1 d . . . . .
H60 H -0.116946 0.165211 0.483048 0.120 Uiso 1 1 calc R U . . .
C61 C -0.0333(14) 0.1492(4) 0.4041(10) 0.086(5) Uani 1 1 d . . . . .
H61 H -0.004304 0.136168 0.430050 0.104 Uiso 1 1 calc R U . . .
C62 C -0.0148(8) 0.1514(2) 0.3320(9) 0.064(4) Uani 1 1 d D . . . .
C63 C 0.1405(12) 0.1364(3) 0.3264(10) 0.085(5) Uani 1 1 d D . . . .
H63A H 0.140561 0.134627 0.376294 0.101 Uiso 1 1 calc R U . . .
H63B H 0.165504 0.153287 0.315052 0.101 Uiso 1 1 calc R U . . .
C64 C 0.2009(18) 0.1156(4) 0.2947(13) 0.112(8) Uani 1 1 d D . . . .
C65 C 0.2046(18) 0.0932(4) 0.3229(14) 0.114(8) Uani 1 1 d . . . . .
H65 H 0.173867 0.089755 0.364168 0.137 Uiso 1 1 calc R U . . .
C66 C 0.2630(18) 0.1217(4) 0.2369(12) 0.104(7) Uani 1 1 d . . . . .
H66 H 0.268088 0.138735 0.222168 0.125 Uiso 1 1 calc R U . . .
C67 C 0.260(2) 0.0733(5) 0.287(2) 0.172(17) Uani 1 1 d . . . . .
H67 H 0.254141 0.056272 0.301572 0.206 Uiso 1 1 calc R U . . .
C68 C 0.310(2) 0.1044(5) 0.2066(15) 0.144(12) Uani 1 1 d . . . . .
H68 H 0.339416 0.108635 0.165310 0.172 Uiso 1 1 calc R U . . .
C69 C 0.320(3) 0.0784(4) 0.2326(19) 0.164(15) Uani 1 1 d D . . . .
C70 C 0.3875(19) 0.0593(5) 0.2044(15) 0.168(10) Uani 1 1 d D U . . .
H70A H 0.401875 0.063761 0.157020 0.202 Uiso 1 1 calc R U . . .
H70B H 0.357620 0.042405 0.204129 0.202 Uiso 1 1 calc R U . . .
C71 C 0.5524(17) 0.0749(4) 0.2221(14) 0.180(9) Uani 1 1 d D U . . .
C72 C 0.586(2) 0.0743(5) 0.1572(14) 0.232(14) Uani 1 1 d D U . . .
H72 H 0.557654 0.063636 0.124318 0.278 Uiso 1 1 calc R U . . .
C73 C 0.6604(19) 0.0893(5) 0.1399(14) 0.244(15) Uani 1 1 d D U . . .
H73 H 0.684123 0.088643 0.095282 0.292 Uiso 1 1 calc R U . . .
C74 C 0.7007(16) 0.1054(5) 0.1871(15) 0.210(13) Uani 1 1 d D U . . .
H74 H 0.754217 0.114995 0.175898 0.252 Uiso 1 1 calc R U . . .
C75 C 0.6626(15) 0.1073(4) 0.2511(13) 0.178(10) Uani 1 1 d D U . . .
H75 H 0.686051 0.119397 0.282408 0.213 Uiso 1 1 calc R U . . .
C76 C 0.5905(16) 0.0916(4) 0.2688(11) 0.161(8) Uani 1 1 d D U . . .
C77 C 0.4825(15) 0.1157(3) 0.3514(15) 0.114(8) Uani 1 1 d D . . . .
H77A H 0.427149 0.114447 0.321145 0.137 Uiso 1 1 calc R U . . .
H77B H 0.461027 0.114751 0.398774 0.137 Uiso 1 1 calc R U . . .
C78 C 0.5299(15) 0.1399(4) 0.3403(13) 0.097(6) Uani 1 1 d D . . . .
C79 C 0.5749(16) 0.1506(5) 0.3924(12) 0.101(7) Uani 1 1 d . . . . .
H79 H 0.578039 0.141955 0.434546 0.121 Uiso 1 1 calc R U . . .
C80 C 0.5186(15) 0.1532(4) 0.2779(13) 0.096(6) Uani 1 1 d . . . . .
H80 H 0.480884 0.146512 0.242185 0.115 Uiso 1 1 calc R U . . .
C81 C 0.6178(12) 0.1743(5) 0.3861(10) 0.085(6) Uani 1 1 d . . . . .
H81 H 0.648920 0.181247 0.424469 0.102 Uiso 1 1 calc R U . . .
C82 C 0.5649(12) 0.1762(4) 0.2709(10) 0.081(5) Uani 1 1 d . . . . .
H82 H 0.562821 0.184745 0.228609 0.097 Uiso 1 1 calc R U . . .
C83 C 0.6167(10) 0.1875(3) 0.3282(9) 0.067(4) Uani 1 1 d D . . . .
C84 C 0.6662(10) 0.2122(3) 0.3194(9) 0.073(5) Uani 1 1 d D . . . .
H84A H 0.684841 0.214008 0.271636 0.088 Uiso 1 1 calc R U . . .
H84B H 0.723551 0.212288 0.347862 0.088 Uiso 1 1 calc R U . . .
Pd7 Pd 0.25928(5) 0.29667(2) 0.57250(4) 0.0424(2) Uani 1 1 d . . . . .
Pd8 Pd 0.07317(6) 0.29299(2) 1.02213(4) 0.0465(2) Uani 1 1 d . . . . .
Pd9 Pd -0.35087(6) 0.33030(2) 0.69853(5) 0.0571(3) Uani 1 1 d . . . . .
Cl13 Cl 0.2331(2) 0.33965(7) 0.56885(15) 0.0489(7) Uani 1 1 d . . . . .
Cl14 Cl 0.41916(18) 0.30063(7) 0.56995(15) 0.0520(8) Uani 1 1 d . . . . .
Cl15 Cl 0.1393(2) 0.33130(7) 0.99608(18) 0.0558(8) Uani 1 1 d . . . . .
Cl16 Cl -0.0022(2) 0.30906(7) 1.11544(16) 0.0553(8) Uani 1 1 d . . . . .
Cl17 Cl -0.3229(2) 0.36290(9) 0.7744(2) 0.0683(9) Uani 1 1 d . . . . .
Cl18 Cl -0.3836(3) 0.35782(9) 0.6114(2) 0.0735(11) Uani 1 1 d . . . . .
N13 N 0.1201(6) 0.2904(2) 0.5639(4) 0.043(2) Uani 1 1 d . . . . .
H13N H 0.095425 0.301172 0.526108 0.051 Uiso 1 1 calc R U . . .
N14 N 0.2707(6) 0.2584(2) 0.5788(4) 0.045(2) Uani 1 1 d . . . . .
H14N H 0.317616 0.253340 0.544320 0.054 Uiso 1 1 calc R U . . .
N15 N 0.1404(7) 0.2762(2) 0.9426(5) 0.050(3) Uani 1 1 d . . . . .
H15N H 0.207744 0.281019 0.945926 0.060 Uiso 1 1 calc R U . . .
N16 N 0.0192(7) 0.2583(2) 1.0390(5) 0.053(3) Uani 1 1 d . . . . .
H16N H 0.034021 0.253906 1.087206 0.064 Uiso 1 1 calc R U . . .
N17 N -0.3178(7) 0.3033(3) 0.7710(5) 0.058(3) Uani 1 1 d . . . . .
H17N H -0.346559 0.308302 0.814848 0.070 Uiso 1 1 calc R U . . .
N18 N -0.3840(7) 0.3005(3) 0.6411(6) 0.067(4) Uani 1 1 d . . . . .
H18N H -0.450019 0.303501 0.626418 0.080 Uiso 1 1 calc R U . . .
C85 C 0.1082(8) 0.2634(3) 0.5437(6) 0.046(3) Uani 1 1 d . . . . .
C86 C 0.0281(8) 0.2549(3) 0.5115(6) 0.056(3) Uani 1 1 d . . . . .
H86 H -0.021046 0.266400 0.501468 0.067 Uiso 1 1 calc R U . . .
C87 C 0.0191(9) 0.2293(3) 0.4935(7) 0.058(3) Uani 1 1 d . . . . .
H87 H -0.034501 0.223617 0.469239 0.069 Uiso 1 1 calc R U . . .
C88 C 0.0909(10) 0.2122(3) 0.5121(7) 0.060(4) Uani 1 1 d . . . . .
H88 H 0.082903 0.194655 0.504452 0.072 Uiso 1 1 calc R U . . .
C89 C 0.1732(10) 0.2212(3) 0.5417(7) 0.059(4) Uani 1 1 d . . . . .
H89 H 0.222814 0.209914 0.552285 0.071 Uiso 1 1 calc R U . . .
C90 C 0.1819(8) 0.2477(3) 0.5558(6) 0.049(3) Uani 1 1 d . . . . .
C91 C 0.3067(9) 0.2479(3) 0.6461(6) 0.056(3) Uani 1 1 d . . . . .
H91A H 0.303951 0.229257 0.644574 0.067 Uiso 1 1 calc R U . . .
H91B H 0.372917 0.252842 0.652125 0.067 Uiso 1 1 calc R U . . .
C92 C 0.2537(8) 0.2569(3) 0.7053(5) 0.046(3) Uani 1 1 d . . . . .
C93 C 0.2882(9) 0.2772(3) 0.7434(7) 0.058(4) Uani 1 1 d . . . . .
H93 H 0.346720 0.284381 0.732248 0.070 Uiso 1 1 calc R U . . .
C94 C 0.1671(8) 0.2457(3) 0.7220(6) 0.050(3) Uani 1 1 d . . . . .
H94 H 0.142208 0.231891 0.696848 0.060 Uiso 1 1 calc R U . . .
C95 C 0.2373(9) 0.2873(3) 0.7986(6) 0.056(3) Uani 1 1 d . . . . .
H95 H 0.261016 0.301213 0.823852 0.068 Uiso 1 1 calc R U . . .
C96 C 0.1194(8) 0.2560(3) 0.7780(6) 0.050(3) Uani 1 1 d . . . . .
H96 H 0.061992 0.248542 0.790700 0.060 Uiso 1 1 calc R U . . .
C97 C 0.1522(8) 0.2763(3) 0.8149(6) 0.044(3) Uani 1 1 d . . . . .
C98 C 0.1018(9) 0.2867(3) 0.8767(5) 0.050(3) Uani 1 1 d . . . . .
H98A H 0.107634 0.305351 0.877249 0.060 Uiso 1 1 calc R U . . .
H98B H 0.034707 0.282518 0.872847 0.060 Uiso 1 1 calc R U . . .
C99 C 0.1344(9) 0.2493(3) 0.9504(7) 0.054(3) Uani 1 1 d . . . . .
C100 C 0.1920(11) 0.2325(3) 0.9166(7) 0.059(3) Uani 1 1 d . . . . .
H100 H 0.237439 0.238962 0.886641 0.071 Uiso 1 1 calc R U . . .
C101 C 0.1849(13) 0.2062(3) 0.9257(8) 0.073(4) Uani 1 1 d . . . . .
H101 H 0.228231 0.195364 0.904320 0.087 Uiso 1 1 calc R U . . .
C102 C 0.1165(13) 0.1961(4) 0.9646(9) 0.081(5) Uani 1 1 d . . . . .
H102 H 0.105695 0.178410 0.965527 0.097 Uiso 1 1 calc R U . . .
C103 C 0.0600(11) 0.2135(3) 1.0053(8) 0.066(4) Uani 1 1 d . . . . .
H103 H 0.016870 0.207309 1.037326 0.079 Uiso 1 1 calc R U . . .
C104 C 0.0721(9) 0.2397(3) 0.9951(7) 0.056(3) Uani 1 1 d . . . . .
C105 C -0.0874(9) 0.2558(3) 1.0296(7) 0.061(4) Uani 1 1 d . . . . .
H10B H -0.105153 0.237714 1.029747 0.073 Uiso 1 1 calc R U . . .
H10C H -0.119291 0.264202 1.067603 0.073 Uiso 1 1 calc R U . . .
C106 C -0.1171(8) 0.2676(3) 0.9644(7) 0.057(4) Uani 1 1 d . . . . .
C107 C -0.1457(8) 0.2932(3) 0.9638(6) 0.054(3) Uani 1 1 d . . . . .
H107 H -0.144048 0.302924 1.004266 0.065 Uiso 1 1 calc R U . . .
C108 C -0.1177(9) 0.2538(3) 0.9025(7) 0.065(4) Uani 1 1 d . . . . .
H108 H -0.097391 0.236763 0.901717 0.078 Uiso 1 1 calc R U . . .
C109 C -0.1762(9) 0.3040(3) 0.9030(6) 0.054(3) Uani 1 1 d . . . . .
H109 H -0.195089 0.321236 0.902655 0.065 Uiso 1 1 calc R U . . .
C110 C -0.1483(10) 0.2656(3) 0.8428(7) 0.064(4) Uani 1 1 d . . . . .
H110 H -0.147736 0.256597 0.801317 0.077 Uiso 1 1 calc R U . . .
C111 C -0.1797(9) 0.2906(4) 0.8438(6) 0.063(4) Uani 1 1 d . . . . .
C112 C -0.2129(8) 0.3033(3) 0.7797(6) 0.055(3) Uani 1 1 d . . . . .
H11B H -0.185123 0.294496 0.740517 0.067 Uiso 1 1 calc R U . . .
H11C H -0.190226 0.320909 0.779495 0.067 Uiso 1 1 calc R U . . .
C113 C -0.3612(7) 0.2776(3) 0.7470(5) 0.049(3) Uani 1 1 d . . . . .
C114 C -0.3664(9) 0.2596(3) 0.7949(7) 0.061(4) Uani 1 1 d . . . . .
H114 H -0.346436 0.262249 0.840388 0.074 Uiso 1 1 calc R U . . .
C115 C -0.4042(11) 0.2364(4) 0.7716(8) 0.067(4) Uani 1 1 d . . . . .
H115 H -0.408615 0.222130 0.800592 0.081 Uiso 1 1 calc R U . . .
C116 C -0.4354(10) 0.2353(4) 0.7021(8) 0.071(4) Uani 1 1 d . . . . .
H116 H -0.463422 0.220224 0.685663 0.085 Uiso 1 1 calc R U . . .
C117 C -0.4265(9) 0.2544(4) 0.6611(9) 0.069(4) Uani 1 1 d . . . . .
H117 H -0.446227 0.252826 0.615175 0.083 Uiso 1 1 calc R U . . .
C118 C -0.3878(8) 0.2776(3) 0.6841(7) 0.061(4) Uani 1 1 d . . . . .
C119 C -0.3322(9) 0.2961(4) 0.5766(7) 0.062(4) Uani 1 1 d . . . . .
H11D H -0.347345 0.309641 0.543870 0.075 Uiso 1 1 calc R U . . .
H11E H -0.351949 0.279764 0.556473 0.075 Uiso 1 1 calc R U . . .
C120 C -0.2260(7) 0.2956(3) 0.5906(5) 0.048(3) Uani 1 1 d . . . . .
C121 C -0.1754(8) 0.3178(4) 0.5776(6) 0.060(4) Uani 1 1 d . . . . .
H121 H -0.206642 0.332481 0.561794 0.072 Uiso 1 1 calc R U . . .
C122 C -0.1830(9) 0.2744(3) 0.6164(7) 0.059(4) Uani 1 1 d . . . . .
H122 H -0.218441 0.259555 0.623923 0.071 Uiso 1 1 calc R U . . .
C123 C -0.0779(9) 0.3180(3) 0.5883(6) 0.054(3) Uani 1 1 d . . . . .
H123 H -0.042063 0.332408 0.576713 0.064 Uiso 1 1 calc R U . . .
C124 C -0.0870(8) 0.2747(3) 0.6316(7) 0.056(3) Uani 1 1 d . . . . .
H124 H -0.057569 0.260407 0.651784 0.067 Uiso 1 1 calc R U . . .
C125 C -0.0351(8) 0.2966(3) 0.6164(6) 0.050(3) Uani 1 1 d . . . . .
C126 C 0.0685(7) 0.2975(3) 0.6277(6) 0.048(3) Uani 1 1 d . . . . .
H12B H 0.086219 0.285778 0.664647 0.058 Uiso 1 1 calc R U . . .
H12C H 0.086787 0.314807 0.641812 0.058 Uiso 1 1 calc R U . . .
Pd10 Pd -0.03382(7) 0.38357(2) 0.55614(6) 0.0571(3) Uani 1 1 d . . . . .
Pd11 Pd 0.48907(15) 0.46802(3) 0.79270(10) 0.1068(6) Uani 1 1 d . . . . .
Pd12 Pd 0.0238(2) 0.55303(4) 0.64971(17) 0.1605(13) Uani 1 1 d . . . . .
Cl19 Cl -0.1713(2) 0.38203(10) 0.4948(2) 0.0747(11) Uani 1 1 d . . . . .
Cl20 Cl 0.0557(2) 0.38929(8) 0.46194(17) 0.0615(9) Uani 1 1 d . . . . .
Cl21 Cl 0.5277(6) 0.45410(12) 0.9013(3) 0.137(3) Uani 1 1 d . . . . .
Cl22 Cl 0.4533(8) 0.50826(12) 0.8300(4) 0.165(4) Uani 1 1 d . . . . .
Cl23 Cl 0.0982(7) 0.59187(14) 0.6550(7) 0.209(6) Uani 1 1 d . . . . .
Cl24 Cl 0.0212(8) 0.5494(2) 0.5317(6) 0.193(5) Uani 1 1 d . . . . .
N19 N -0.1026(7) 0.3794(3) 0.6449(6) 0.064(3) Uani 1 1 d D . . . .
H19N H -0.144992 0.364558 0.638271 0.077 Uiso 1 1 calc R U . . .
N20 N 0.0823(7) 0.3831(2) 0.6177(6) 0.058(3) Uani 1 1 d D . . . .
H20N H 0.129176 0.371547 0.596949 0.070 Uiso 1 1 calc R U . . .
N21 N 0.5342(11) 0.4359(3) 0.7538(9) 0.090(5) Uani 1 1 d D . . . .
H21N H 0.596646 0.433488 0.775958 0.108 Uiso 1 1 calc R U . . .
N22 N 0.4644(12) 0.4762(3) 0.6914(9) 0.103(4) Uani 1 1 d D U . . .
H22N H 0.490063 0.493576 0.684083 0.123 Uiso 1 1 calc R U . . .
N23 N 0.0159(14) 0.5512(4) 0.7412(12) 0.157(10) Uani 1 1 d D U . . .
H23N H -0.012166 0.567965 0.752002 0.189 Uiso 1 1 calc R U . . .
N24 N -0.0455(16) 0.5192(4) 0.6495(13) 0.156(10) Uani 1 1 d D . . . .
H24N H -0.094028 0.517897 0.612813 0.188 Uiso 1 1 calc R U . . .
C127 C -0.0350(10) 0.3718(3) 0.6983(8) 0.061(4) Uani 1 1 d . . . . .
C128 C -0.0616(11) 0.3626(4) 0.7606(9) 0.073(4) Uani 1 1 d . . . . .
H128 H -0.125592 0.363152 0.772261 0.088 Uiso 1 1 calc R U . . .
C129 C 0.0033(12) 0.3523(4) 0.8075(8) 0.070(4) Uani 1 1 d . . . . .
H129 H -0.016368 0.344901 0.848687 0.084 Uiso 1 1 calc R U . . .
C130 C 0.0973(10) 0.3534(3) 0.7909(8) 0.064(4) Uani 1 1 d . . . . .
H130 H 0.143072 0.347226 0.821860 0.077 Uiso 1 1 calc R U . . .
C131 C 0.1260(10) 0.3640(3) 0.7265(8) 0.060(4) Uani 1 1 d . . . . .
H131 H 0.190271 0.364706 0.715473 0.072 Uiso 1 1 calc R U . . .
C132 C 0.0586(9) 0.3732(3) 0.6807(7) 0.055(3) Uani 1 1 d . . . . .
C133 C 0.1229(9) 0.4094(3) 0.6189(8) 0.060(4) Uani 1 1 d D . . . .
H13A H 0.077757 0.421091 0.639688 0.072 Uiso 1 1 calc R U . . .
H13B H 0.133596 0.415078 0.571942 0.072 Uiso 1 1 calc R U . . .
C134 C 0.2182(9) 0.4104(3) 0.6602(8) 0.059(4) Uani 1 1 d D . . . .
C135 C 0.2958(10) 0.4027(3) 0.6281(8) 0.069(4) Uani 1 1 d . . . . .
H135 H 0.291736 0.397419 0.582296 0.083 Uiso 1 1 calc R U . . .
C136 C 0.2249(10) 0.4191(3) 0.7268(7) 0.053(3) Uani 1 1 d . . . . .
H136 H 0.170323 0.424586 0.749152 0.063 Uiso 1 1 calc R U . . .
C137 C 0.3827(10) 0.4026(3) 0.6620(8) 0.062(4) Uani 1 1 d . . . . .
H137 H 0.437068 0.396697 0.640129 0.074 Uiso 1 1 calc R U . . .
C138 C 0.3067(10) 0.4197(3) 0.7596(7) 0.055(3) Uani 1 1 d . . . . .
H138 H 0.309690 0.425889 0.804681 0.066 Uiso 1 1 calc R U . . .
C139 C 0.3874(9) 0.4115(3) 0.7290(8) 0.059(4) Uani 1 1 d D . . . .
C140 C 0.4789(10) 0.4118(3) 0.7739(9) 0.072(4) Uani 1 1 d D . . . .
H14C H 0.463228 0.412253 0.822469 0.086 Uiso 1 1 calc R U . . .
H14D H 0.516544 0.396464 0.765248 0.086 Uiso 1 1 calc R U . . .
C141 C 0.5554(13) 0.4395(3) 0.6841(9) 0.083(3) Uani 1 1 d D U . . .
C142 C 0.6114(12) 0.4217(3) 0.6481(10) 0.086(3) Uani 1 1 d D U . . .
H142 H 0.638436 0.407499 0.670194 0.104 Uiso 1 1 calc R U . . .
C143 C 0.6246(12) 0.4260(4) 0.5794(10) 0.088(3) Uani 1 1 d D U . . .
H143 H 0.657827 0.414042 0.553328 0.105 Uiso 1 1 calc R U . . .
C144 C 0.5901(13) 0.4474(4) 0.5492(9) 0.090(4) Uani 1 1 d D U . . .
H144 H 0.604205 0.450311 0.503032 0.108 Uiso 1 1 calc R U . . .
C145 C 0.5350(14) 0.4651(3) 0.5829(10) 0.092(3) Uani 1 1 d D U . . .
H145 H 0.509416 0.479293 0.559981 0.110 Uiso 1 1 calc R U . . .
C146 C 0.5181(13) 0.4607(3) 0.6563(10) 0.086(3) Uani 1 1 d D U . . .
C147 C 0.3559(13) 0.4785(4) 0.6808(10) 0.115(4) Uani 1 1 d D U . . .
H14E H 0.346584 0.477784 0.631142 0.138 Uiso 1 1 calc DR U . . .
H14F H 0.330930 0.462412 0.698394 0.138 Uiso 1 1 calc R U . . .
C148 C 0.2978(12) 0.4952(3) 0.7004(10) 0.120(4) Uani 1 1 d D U . . .
C149 C 0.2966(14) 0.5205(3) 0.6808(10) 0.129(5) Uani 1 1 d D U . . .
H149 H 0.339324 0.526312 0.647920 0.155 Uiso 1 1 calc R U . . .
C150 C 0.2358(15) 0.4886(3) 0.7551(11) 0.123(5) Uani 1 1 d D U . . .
H150 H 0.238438 0.471989 0.773308 0.147 Uiso 1 1 calc R U . . .
C151 C 0.2334(16) 0.5376(3) 0.7089(11) 0.132(5) Uani 1 1 d D U . . .
H151 H 0.232631 0.554546 0.693406 0.158 Uiso 1 1 calc R U . . .
C152 C 0.1745(14) 0.5052(3) 0.7809(10) 0.127(5) Uani 1 1 d D U . . .
H152 H 0.132028 0.500110 0.814705 0.152 Uiso 1 1 calc R U . . .
C153 C 0.1743(13) 0.5306(3) 0.7568(10) 0.134(5) Uani 1 1 d D U . . .
C154 C 0.1010(16) 0.5513(4) 0.7864(13) 0.183(19) Uani 1 1 d D . . . .
H15A H 0.083821 0.546814 0.833248 0.220 Uiso 1 1 calc R U . . .
H15B H 0.129693 0.568305 0.786967 0.220 Uiso 1 1 calc R U . . .
C155 C -0.0505(16) 0.5343(4) 0.7708(14) 0.150(10) Uani 1 1 d D U . . .
C156 C -0.0895(18) 0.5355(4) 0.8325(13) 0.175(11) Uani 1 1 d D U . . .
H156 H -0.065980 0.546969 0.865631 0.210 Uiso 1 1 calc R U . . .
C157 C -0.167(2) 0.5193(5) 0.8477(14) 0.193(13) Uani 1 1 d D U . . .
H157 H -0.193329 0.519266 0.891569 0.231 Uiso 1 1 calc R U . . .
C158 C -0.2031(18) 0.5039(4) 0.7973(16) 0.179(12) Uani 1 1 d D U . . .
H158 H -0.256150 0.493774 0.806343 0.215 Uiso 1 1 calc R U . . .
C159 C -0.1641(19) 0.5030(4) 0.7348(14) 0.165(10) Uani 1 1 d D U . . .
H159 H -0.188953 0.492009 0.701038 0.198 Uiso 1 1 calc R U . . .
C160 C -0.0857(18) 0.5186(4) 0.7205(12) 0.139(8) Uani 1 1 d D U . . .
C161 C 0.0304(18) 0.4989(4) 0.6452(19) 0.149(13) Uani 1 1 d D . . . .
H16B H 0.075978 0.500989 0.682858 0.178 Uiso 1 1 calc R U . . .
H16C H 0.064004 0.500490 0.601988 0.178 Uiso 1 1 calc R U . . .
C162 C -0.0183(16) 0.4715(4) 0.6497(16) 0.102(7) Uani 1 1 d D . . . .
C163 C -0.0665(19) 0.4630(4) 0.5993(14) 0.109(8) Uani 1 1 d . . . . .
H163 H -0.071719 0.472932 0.559349 0.131 Uiso 1 1 calc R U . . .
C164 C -0.0197(15) 0.4598(4) 0.7102(11) 0.088(6) Uani 1 1 d . . . . .
H164 H 0.010074 0.466834 0.749050 0.105 Uiso 1 1 calc R U . . .
C165 C -0.1139(16) 0.4383(4) 0.6021(12) 0.100(7) Uani 1 1 d . . . . .
H165 H -0.145088 0.431185 0.563958 0.119 Uiso 1 1 calc R U . . .
C166 C -0.0688(14) 0.4358(4) 0.7132(12) 0.086(6) Uani 1 1 d . . . . .
H166 H -0.070244 0.426748 0.754643 0.103 Uiso 1 1 calc R U . . .
C167 C -0.1099(12) 0.4269(3) 0.6611(10) 0.079(5) Uani 1 1 d D . . . .
C168 C -0.1640(9) 0.4008(3) 0.6654(9) 0.069(4) Uani 1 1 d D . . . .
H16D H -0.185324 0.398102 0.712263 0.083 Uiso 1 1 calc R U . . .
H16E H -0.219756 0.401366 0.635274 0.083 Uiso 1 1 calc R U . . .
Cl1R Cl 0.5856(7) 0.25258(17) -0.0267(5) 0.100(3) Uiso 0.602(10) 1 d D . P A 1
C1R C 0.727(2) 0.1992(5) 0.0708(12) 0.076(7) Uiso 0.602(10) 1 d D . P A 1
C2R C 0.6620(18) 0.2195(5) 0.0529(13) 0.069(7) Uiso 0.602(10) 1 d D . P A 1
H2R H 0.621846 0.226425 0.085885 0.083 Uiso 0.602(10) 1 calc R U P A 1
C3R C 0.6602(19) 0.2277(5) -0.0086(16) 0.082(8) Uiso 0.602(10) 1 d D . P A 1
C4R C 0.711(2) 0.2169(5) -0.0601(13) 0.079(7) Uiso 0.602(10) 1 d D . P A 1
H4R H 0.702359 0.221993 -0.105772 0.094 Uiso 0.602(10) 1 calc R U P A 1
C5R C 0.776(2) 0.1982(5) -0.0427(14) 0.080(8) Uiso 0.602(10) 1 d D . P A 1
H5R H 0.815715 0.191820 -0.076843 0.096 Uiso 0.602(10) 1 calc R U P A 1
C6R C 0.7848(19) 0.1896(5) 0.0168(15) 0.078(7) Uiso 0.602(10) 1 d D . P A 1
H6R H 0.829239 0.176677 0.026248 0.093 Uiso 0.602(10) 1 calc R U P A 1
C7R C 0.732(2) 0.1908(5) 0.1412(13) 0.088(9) Uiso 0.602(10) 1 d D . P A 1
H7R H 0.679085 0.198613 0.166497 0.106 Uiso 0.602(10) 1 calc R U P A 1
C8R C 0.722(3) 0.1620(5) 0.144(2) 0.102(10) Uiso 0.602(10) 1 d D . P A 1
H8R1 H 0.752151 0.155712 0.185840 0.152 Uiso 0.602(10) 1 calc R U P A 1
H8R2 H 0.751315 0.154427 0.104929 0.152 Uiso 0.602(10) 1 calc R U P A 1
H8R3 H 0.655479 0.157496 0.144669 0.152 Uiso 0.602(10) 1 calc R U P A 1
O1R O 0.8175(15) 0.1978(4) 0.1733(12) 0.093(6) Uiso 0.602(10) 1 d D . P A 1
O4W O 0.432(4) 0.2066(9) -0.115(3) 0.143(16) Uiso 0.398(10) 1 d . . P A 2
O3W O 0.688(3) 0.2454(8) 0.083(2) 0.109(12) Uiso 0.398(10) 1 d . . P A 2
C14Q C 0.642(5) 0.4269(13) 0.1423(19) 0.16(2) Uiso 0.50(3) 1 d D . P B 3
C9R C 0.550(2) 0.4105(7) 0.3179(19) 0.105(14) Uiso 0.50(3) 1 d D . P B 3
C10R C 0.549(2) 0.4168(8) 0.2495(19) 0.130(19) Uiso 0.50(3) 1 d D . P B 3
C11R C 0.635(3) 0.4197(7) 0.2156(16) 0.124(18) Uiso 0.50(3) 1 d D . P B 3
C12R C 0.718(3) 0.4167(8) 0.250(2) 0.14(2) Uiso 0.50(3) 1 d D . P B 3
C13R C 0.719(2) 0.4105(9) 0.320(2) 0.15(2) Uiso 0.50(3) 1 d D . P B 3
C14R C 0.635(3) 0.4075(8) 0.3535(16) 0.101(14) Uiso 0.50(3) 1 d D . P B 3
N5S N 0.559(4) 0.3990(11) 0.277(3) 0.15(2) Uiso 0.50(3) 1 d D . P B 4
C5S C 0.622(5) 0.4051(17) 0.305(3) 0.19(3) Uiso 0.50(3) 1 d D . P B 4
C5T C 0.681(4) 0.4109(10) 0.368(2) 0.114(16) Uiso 0.50(3) 1 d D . P B 4
H5T1 H 0.725558 0.424262 0.357865 0.171 Uiso 0.50(3) 1 calc R U P B 4
H5T2 H 0.713967 0.395661 0.382523 0.171 Uiso 0.50(3) 1 calc R U P B 4
H5T3 H 0.639546 0.416558 0.404313 0.171 Uiso 0.50(3) 1 calc R U P B 4
Cl3R Cl 0.301(2) 0.1561(7) 0.4837(18) 0.288(16) Uiso 0.5 1 d D . P . .
C17R C 0.110(3) 0.1106(9) 0.555(2) 0.25(5) Uiso 0.5 1 d D . P . .
C18R C 0.158(2) 0.1321(7) 0.5352(17) 0.18(3) Uiso 0.5 1 d D . P . .
H18R H 0.132033 0.148431 0.541018 0.219 Uiso 0.5 1 calc R U P . .
C19R C 0.243(2) 0.1291(7) 0.5077(13) 0.23(4) Uiso 0.5 1 d D . P . .
C20R C 0.281(3) 0.1063(7) 0.499(2) 0.22(4) Uiso 0.5 1 d D . P . .
H20R H 0.341470 0.104818 0.479763 0.269 Uiso 0.5 1 calc R U P . .
C21R C 0.234(4) 0.0848(7) 0.519(3) 0.26(5) Uiso 0.5 1 d D . P . .
H21R H 0.260112 0.068448 0.513056 0.315 Uiso 0.5 1 calc R U P . .
C22R C 0.147(4) 0.0878(8) 0.547(2) 0.22(4) Uiso 0.5 1 d D . P . .
H22R H 0.112965 0.073326 0.560732 0.258 Uiso 0.5 1 calc R U P . .
C23R C 0.017(3) 0.1150(11) 0.585(3) 0.19(3) Uiso 0.5 1 d D . P . .
O3R O 0.019(5) 0.1407(13) 0.611(5) 0.32(4) Uiso 0.5 1 d D . P . .
C1G C 0.8555(12) 0.4072(3) -0.0514(8) 0.136(9) Uiso 1 1 d G . . . .
C2G C 0.8545(9) 0.3809(3) -0.0489(7) 0.087(5) Uiso 1 1 d G . . . .
C3G C 0.9114(10) 0.3683(2) -0.0026(7) 0.086(5) Uiso 1 1 d G . . . .
H3G H 0.910666 0.350329 -0.000890 0.103 Uiso 1 1 calc R U . . .
C4G C 0.9692(10) 0.3818(3) 0.0412(7) 0.110(7) Uiso 1 1 d G . . . .
H4G H 1.008055 0.373141 0.072833 0.132 Uiso 1 1 calc R U . . .
C5G C 0.9702(11) 0.4080(3) 0.0387(8) 0.126(8) Uiso 1 1 d G . . . .
H5G H 1.009749 0.417300 0.068600 0.151 Uiso 1 1 calc R U . . .
C6G C 0.9134(14) 0.4207(2) -0.0076(10) 0.140(10) Uiso 1 1 d G . . . .
H6G H 0.914055 0.438648 -0.009355 0.168 Uiso 1 1 calc R U . . .
C7G C 0.800(2) 0.4197(6) -0.1068(17) 0.135(9) Uiso 1 1 d . . . . .
C8G C 0.807(2) 0.4488(6) -0.1007(17) 0.147(10) Uiso 1 1 d . . . . .
H8G1 H 0.784735 0.456600 -0.142882 0.220 Uiso 1 1 calc R U . . .
H8G2 H 0.872328 0.453519 -0.092493 0.220 Uiso 1 1 calc R U . . .
H8G3 H 0.768990 0.454616 -0.063046 0.220 Uiso 1 1 calc R U . . .
O1G O 0.7439(16) 0.4111(4) -0.1447(12) 0.152(7) Uiso 1 1 d . . . . .
O2G O 0.7974(13) 0.3680(3) -0.0906(9) 0.124(5) Uiso 1 1 d . . . . .
O1W O 0.696(2) 0.0887(6) 0.4115(17) 0.218(12) Uiso 1 1 d . . . . .
O2W O -0.206(2) 0.5141(7) 0.5467(19) 0.248(14) Uiso 1 1 d . . . . .
N1S N 0.1485(9) 0.2520(3) 0.1556(6) 0.068(3) Uani 1 1 d . . . . .
C1S C 0.1261(10) 0.2617(3) 0.2056(7) 0.058(3) Uani 1 1 d . . . . .
C1T C 0.0932(9) 0.2747(4) 0.2675(8) 0.070(4) Uani 1 1 d . . . . .
H1T1 H 0.146196 0.282690 0.290738 0.106 Uiso 1 1 calc R U . . .
H1T2 H 0.064526 0.262291 0.297640 0.106 Uiso 1 1 calc R U . . .
H1T3 H 0.047087 0.287549 0.254837 0.106 Uiso 1 1 calc R U . . .
N2S N 0.3426(10) 0.3614(3) 0.8247(7) 0.071(4) Uani 1 1 d . . . . .
C2S C 0.3706(9) 0.3518(3) 0.7766(7) 0.055(3) Uani 1 1 d . . . . .
C2T C 0.4011(10) 0.3398(3) 0.7131(7) 0.061(4) Uani 1 1 d . . . . .
H2T1 H 0.350510 0.340665 0.679379 0.092 Uiso 1 1 calc R U . . .
H2T2 H 0.417121 0.322110 0.721885 0.092 Uiso 1 1 calc R U . . .
H2T3 H 0.455923 0.348709 0.696087 0.092 Uiso 1 1 calc R U . . .
N3S N 0.455(3) 0.1903(8) 0.134(2) 0.232(17) Uiso 1 1 d . . . . .
C3S C 0.393(2) 0.2006(7) 0.1006(18) 0.142(10) Uiso 1 1 d . . . . .
C3T C 0.344(2) 0.2159(7) 0.0637(18) 0.154(12) Uiso 1 1 d . . . . .
H3T1 H 0.288276 0.220791 0.088167 0.231 Uiso 1 1 calc R U . . .
H3T2 H 0.326338 0.207413 0.021389 0.231 Uiso 1 1 calc R U . . .
H3T3 H 0.381309 0.230926 0.053528 0.231 Uiso 1 1 calc R U . . .
N4S N 0.076(5) 0.4353(10) 0.860(4) 0.43(4) Uiso 1 1 d D . . . .
C4S C 0.095(4) 0.4156(9) 0.878(4) 0.30(3) Uiso 1 1 d D . . . .
C4T C 0.1578(18) 0.3965(5) 0.9135(13) 0.112(7) Uiso 1 1 d D . . . .
H4T1 H 0.183100 0.403914 0.955319 0.168 Uiso 1 1 calc R U . . .
H4T2 H 0.209148 0.391899 0.883718 0.168 Uiso 1 1 calc R U . . .
H4T3 H 0.121470 0.381409 0.924336 0.168 Uiso 1 1 calc R U . . .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
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 Pd1 N2 85.6(4) . . ?
N1 Pd1 Cl2 172.5(3) . . ?
N2 Pd1 Cl2 90.6(3) . . ?
N1 Pd1 Cl1 90.3(4) . . ?
N2 Pd1 Cl1 175.3(3) . . ?
Cl2 Pd1 Cl1 93.67(12) . . ?
N3 Pd2 N4 85.2(5) . . ?
N3 Pd2 Cl4 176.5(4) . . ?
N4 Pd2 Cl4 91.9(3) . . ?
N3 Pd2 Cl3 90.0(3) . . ?
N4 Pd2 Cl3 175.2(3) . . ?
Cl4 Pd2 Cl3 92.92(14) . . ?
N5 Pd3 N6 83.7(4) . . ?
N5 Pd3 Cl6 175.8(3) . . ?
N6 Pd3 Cl6 93.0(3) . . ?
N5 Pd3 Cl5 89.9(3) . . ?
N6 Pd3 Cl5 172.0(3) . . ?
Cl6 Pd3 Cl5 93.70(18) . . ?
C1 N1 C42 114.5(10) . . ?
C1 N1 Pd1 107.2(7) . . ?
C42 N1 Pd1 110.4(7) . . ?
C1 N1 H1N 108.2 . . ?
C42 N1 H1N 108.2 . . ?
Pd1 N1 H1N 108.2 . . ?
C6 N2 C7 113.4(10) . . ?
C6 N2 Pd1 108.1(7) . . ?
C7 N2 Pd1 116.0(8) . . ?
C6 N2 H2N 106.2 . . ?
C7 N2 H2N 106.2 . . ?
Pd1 N2 H2N 106.2 . . ?
C15 N3 C14 112.5(11) . . ?
C15 N3 Pd2 105.6(8) . . ?
C14 N3 Pd2 110.8(8) . . ?
C15 N3 H3N 109.3 . . ?
C14 N3 H3N 109.3 . . ?
Pd2 N3 H3N 109.3 . . ?
C20 N4 C21 115.6(11) . . ?
C20 N4 Pd2 106.5(9) . . ?
C21 N4 Pd2 114.8(10) . . ?
C20 N4 H4N 106.4 . . ?
C21 N4 H4N 106.4 . . ?
Pd2 N4 H4N 106.4 . . ?
C28 N5 C29 114.0(10) . . ?
C28 N5 Pd3 109.5(8) . . ?
C29 N5 Pd3 108.1(7) . . ?
C28 N5 H5N 108.4 . . ?
C29 N5 H5N 108.4 . . ?
Pd3 N5 H5N 108.4 . . ?
C34 N6 C35 115.1(12) . . ?
C34 N6 Pd3 108.8(8) . . ?
C35 N6 Pd3 117.2(9) . . ?
C34 N6 H6N 104.8 . . ?
C35 N6 H6N 104.8 . . ?
Pd3 N6 H6N 104.8 . . ?
C2 C1 C6 120.8(13) . . ?
C2 C1 N1 121.8(12) . . ?
C6 C1 N1 117.3(10) . . ?
C1 C2 C3 119.1(14) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C4 C3 C2 120.3(14) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 121.4(16) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
C6 C5 C4 117.4(14) . . ?
C6 C5 H5A 121.3 . . ?
C4 C5 H5A 121.3 . . ?
C1 C6 C5 120.6(12) . . ?
C1 C6 N2 118.2(12) . . ?
C5 C6 N2 121.1(11) . . ?
N2 C7 C8 112.4(10) . . ?
N2 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C10 C8 C9 116.6(12) . . ?
C10 C8 C7 123.4(12) . . ?
C9 C8 C7 120.0(11) . . ?
C11 C9 C8 121.6(12) . . ?
C11 C9 H9A 119.2 . . ?
C8 C9 H9A 119.2 . . ?
C8 C10 C12 124.8(13) . . ?
C8 C10 H10A 117.6 . . ?
C12 C10 H10A 117.6 . . ?
C9 C11 C13 121.9(13) . . ?
C9 C11 H11A 119.1 . . ?
C13 C11 H11A 119.1 . . ?
C10 C12 C13 118.4(12) . . ?
C10 C12 H12A 120.8 . . ?
C13 C12 H12A 120.8 . . ?
C12 C13 C11 116.8(12) . . ?
C12 C13 C14 120.6(12) . . ?
C11 C13 C14 122.5(13) . . ?
C13 C14 N3 112.2(11) . . ?
C13 C14 H14A 109.2 . . ?
N3 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
N3 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C20 C15 C16 119.3(15) . . ?
C20 C15 N3 120.0(14) . . ?
C16 C15 N3 120.7(13) . . ?
C17 C16 C15 117.4(16) . . ?
C17 C16 H16A 121.3 . . ?
C15 C16 H16A 121.3 . . ?
C18 C17 C16 122.6(17) . . ?
C18 C17 H17A 118.7 . . ?
C16 C17 H17A 118.7 . . ?
C17 C18 C19 120.5(16) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.2(16) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C15 C20 C19 120.1(16) . . ?
C15 C20 N4 120.3(16) . . ?
C19 C20 N4 119.5(14) . . ?
N4 C21 C22 112.1(11) . . ?
N4 C21 H21A 109.2 . . ?
C22 C21 H21A 109.2 . . ?
N4 C21 H21B 109.2 . . ?
C22 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C23 C22 C24 120.1(13) . . ?
C23 C22 C21 119.6(13) . . ?
C24 C22 C21 120.3(14) . . ?
C22 C23 C25 120.8(14) . . ?
C22 C23 H23A 119.6 . . ?
C25 C23 H23A 119.6 . . ?
C26 C24 C22 121.2(15) . . ?
C26 C24 H24A 119.4 . . ?
C22 C24 H24A 119.4 . . ?
C27 C25 C23 119.7(15) . . ?
C27 C25 H25 120.2 . . ?
C23 C25 H25 120.2 . . ?
C24 C26 C27 118.4(13) . . ?
C24 C26 H26 120.8 . . ?
C27 C26 H26 120.8 . . ?
C25 C27 C26 119.8(13) . . ?
C25 C27 C28 119.5(14) . . ?
C26 C27 C28 120.8(12) . . ?
C27 C28 N5 115.1(10) . . ?
C27 C28 H28A 108.5 . . ?
N5 C28 H28A 108.5 . . ?
C27 C28 H28B 108.5 . . ?
N5 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C34 C29 C30 129.0(13) . . ?
C34 C29 N5 114.6(11) . . ?
C30 C29 N5 116.5(10) . . ?
C29 C30 C31 112.6(13) . . ?
C29 C30 H30 123.7 . . ?
C31 C30 H30 123.7 . . ?
C32 C31 C30 119.4(16) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C33 C32 C31 122.3(15) . . ?
C33 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C32 C33 C34 120.6(13) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 116.1(14) . . ?
C29 C34 N6 121.9(13) . . ?
C33 C34 N6 121.8(12) . . ?
N6 C35 C36 110.0(9) . . ?
N6 C35 H35A 109.7 . . ?
C36 C35 H35A 109.7 . . ?
N6 C35 H35B 109.7 . . ?
C36 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 C38 119.7(11) . . ?
C37 C36 C35 121.5(13) . . ?
C38 C36 C35 118.7(13) . . ?
C36 C37 C39 120.4(13) . . ?
C36 C37 H37 119.8 . . ?
C39 C37 H37 119.8 . . ?
C40 C38 C36 118.7(13) . . ?
C40 C38 H38 120.6 . . ?
C36 C38 H38 120.6 . . ?
C41 C39 C37 121.0(13) . . ?
C41 C39 H39 119.5 . . ?
C37 C39 H39 119.5 . . ?
C41 C40 C38 120.4(13) . . ?
C41 C40 H40 119.8 . . ?
C38 C40 H40 119.8 . . ?
C39 C41 C40 119.5(11) . . ?
C39 C41 C42 117.3(11) . . ?
C40 C41 C42 123.1(12) . . ?
N1 C42 C41 110.4(9) . . ?
N1 C42 H42A 109.6 . . ?
C41 C42 H42A 109.6 . . ?
N1 C42 H42B 109.6 . . ?
C41 C42 H42B 109.6 . . ?
H42A C42 H42B 108.1 . . ?
N8 Pd4 N7 85.2(4) . . ?
N8 Pd4 Cl8 89.5(3) . . ?
N7 Pd4 Cl8 174.7(3) . . ?
N8 Pd4 Cl7 176.3(3) . . ?
N7 Pd4 Cl7 91.3(3) . . ?
Cl8 Pd4 Cl7 94.00(13) . . ?
N9 Pd5 N10 86.1(5) . . ?
N9 Pd5 Cl10 170.4(4) . . ?
N10 Pd5 Cl10 92.3(4) . . ?
N9 Pd5 Cl9 90.3(4) . . ?
N10 Pd5 Cl9 176.0(4) . . ?
Cl10 Pd5 Cl9 91.6(2) . . ?
N11 Pd6 N12 84.9(7) . . ?
N11 Pd6 Cl11 90.9(5) . . ?
N12 Pd6 Cl11 175.4(5) . . ?
N11 Pd6 Cl12 174.7(6) . . ?
N12 Pd6 Cl12 89.9(7) . . ?
Cl11 Pd6 Cl12 94.3(4) . . ?
C43 N7 C84 114.1(11) . . ?
C43 N7 Pd4 107.7(7) . . ?
C84 N7 Pd4 114.3(9) . . ?
C43 N7 H7N 106.8 . . ?
C84 N7 H7N 106.8 . . ?
Pd4 N7 H7N 106.8 . . ?
C48 N8 C49 114.2(11) . . ?
C48 N8 Pd4 107.7(7) . . ?
C49 N8 Pd4 109.8(7) . . ?
C48 N8 H8N 108.3 . . ?
C49 N8 H8N 108.3 . . ?
Pd4 N8 H8N 108.3 . . ?
C57 N9 C56 112.9(13) . . ?
C57 N9 Pd5 107.1(10) . . ?
C56 N9 Pd5 118.1(10) . . ?
C57 N9 H9N 106.0 . . ?
C56 N9 H9N 106.0 . . ?
Pd5 N9 H9N 106.0 . . ?
C62 N10 C63 108.2(12) . . ?
C62 N10 Pd5 102.5(11) . . ?
C63 N10 Pd5 118.0(11) . . ?
C62 N10 H10N 109.3 . . ?
C63 N10 H10N 109.3 . . ?
Pd5 N10 H10N 109.3 . . ?
C71 N11 C70 114.0(19) . . ?
C71 N11 Pd6 108.5(15) . . ?
C70 N11 Pd6 121.1(16) . . ?
C71 N11 H11N 103.7 . . ?
C70 N11 H11N 103.7 . . ?
Pd6 N11 H11N 103.7 . . ?
C76 N12 C77 117.8(18) . . ?
C76 N12 Pd6 104.8(13) . . ?
C77 N12 Pd6 108.9(12) . . ?
C76 N12 H12N 108.3 . . ?
C77 N12 H12N 108.3 . . ?
Pd6 N12 H12N 108.3 . . ?
C48 C43 C44 121.0(12) . . ?
C48 C43 N7 117.8(12) . . ?
C44 C43 N7 121.0(11) . . ?
C45 C44 C43 117.7(13) . . ?
C45 C44 H44 121.1 . . ?
C43 C44 H44 121.1 . . ?
C44 C45 C46 124.2(16) . . ?
C44 C45 H45 117.9 . . ?
C46 C45 H45 117.9 . . ?
C47 C46 C45 115.3(16) . . ?
C47 C46 H46 122.4 . . ?
C45 C46 H46 122.4 . . ?
C48 C47 C46 123.0(13) . . ?
C48 C47 H47 118.5 . . ?
C46 C47 H47 118.5 . . ?
C47 C48 C43 118.7(12) . . ?
C47 C48 N8 123.4(12) . . ?
C43 C48 N8 117.9(12) . . ?
C50 C49 N8 112.7(11) . . ?
C50 C49 H49A 109.1 . . ?
N8 C49 H49A 109.1 . . ?
C50 C49 H49B 109.1 . . ?
N8 C49 H49B 109.1 . . ?
H49A C49 H49B 107.8 . . ?
C52 C50 C51 121.1(13) . . ?
C52 C50 C49 121.8(12) . . ?
C51 C50 C49 117.1(12) . . ?
C50 C51 C53 120.0(14) . . ?
C50 C51 H51 120.0 . . ?
C53 C51 H51 120.0 . . ?
C50 C52 C54 121.4(13) . . ?
C50 C52 H52 119.3 . . ?
C54 C52 H52 119.3 . . ?
C51 C53 C55 118.1(13) . . ?
C51 C53 H53 120.9 . . ?
C55 C53 H53 120.9 . . ?
C55 C54 C52 120.9(14) . . ?
C55 C54 H54 119.5 . . ?
C52 C54 H54 119.5 . . ?
C54 C55 C53 118.3(13) . . ?
C54 C55 C56 123.8(14) . . ?
C53 C55 C56 117.8(13) . . ?
C55 C56 N9 111.5(12) . . ?
C55 C56 H56A 109.3 . . ?
N9 C56 H56A 109.3 . . ?
C55 C56 H56B 109.3 . . ?
N9 C56 H56B 109.3 . . ?
H56A C56 H56B 108.0 . . ?
C62 C57 C58 124.1(17) . . ?
C62 C57 N9 114.0(15) . . ?
C58 C57 N9 121.8(19) . . ?
C59 C58 C57 123(2) . . ?
C59 C58 H58 118.4 . . ?
C57 C58 H58 118.4 . . ?
C60 C59 C58 120(2) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C61 120(2) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 H60 120.1 . . ?
C62 C61 C60 119.6(19) . . ?
C62 C61 H61 120.2 . . ?
C60 C61 H61 120.2 . . ?
C57 C62 N10 126.0(16) . . ?
C57 C62 C61 113.0(14) . . ?
N10 C62 C61 120.9(14) . . ?
N10 C63 C64 107.7(16) . . ?
N10 C63 H63A 110.2 . . ?
C64 C63 H63A 110.2 . . ?
N10 C63 H63B 110.2 . . ?
C64 C63 H63B 110.2 . . ?
H63A C63 H63B 108.5 . . ?
C65 C64 C66 120(2) . . ?
C65 C64 C63 120(2) . . ?
C66 C64 C63 120.2(18) . . ?
C64 C65 C67 117(2) . . ?
C64 C65 H65 121.6 . . ?
C67 C65 H65 121.6 . . ?
C68 C66 C64 122(2) . . ?
C68 C66 H66 119.2 . . ?
C64 C66 H66 119.2 . . ?
C69 C67 C65 124(2) . . ?
C69 C67 H67 118.1 . . ?
C65 C67 H67 118.1 . . ?
C66 C68 C69 123(3) . . ?
C66 C68 H68 118.3 . . ?
C69 C68 H68 118.3 . . ?
C67 C69 C68 113(2) . . ?
C67 C69 C70 123(2) . . ?
C68 C69 C70 124(3) . . ?
C69 C70 N11 112(3) . . ?
C69 C70 H70A 109.3 . . ?
N11 C70 H70A 109.3 . . ?
C69 C70 H70B 109.3 . . ?
N11 C70 H70B 109.3 . . ?
H70A C70 H70B 108.0 . . ?
C72 C71 C76 119.6(10) . . ?
C72 C71 N11 124(2) . . ?
C76 C71 N11 116(2) . . ?
C71 C72 C73 120.2(11) . . ?
C71 C72 H72 119.9 . . ?
C73 C72 H72 119.9 . . ?
C72 C73 C74 120.3(10) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C73 C74 C75 119.6(11) . . ?
C73 C74 H74 120.2 . . ?
C75 C74 H74 120.2 . . ?
C76 C75 C74 119.6(11) . . ?
C76 C75 H75 120.2 . . ?
C74 C75 H75 120.2 . . ?
C75 C76 C71 120.4(10) . . ?
C75 C76 N12 120.1(19) . . ?
C71 C76 N12 119.4(19) . . ?
C78 C77 N12 110.5(16) . . ?
C78 C77 H77A 109.6 . . ?
N12 C77 H77A 109.6 . . ?
C78 C77 H77B 109.6 . . ?
N12 C77 H77B 109.6 . . ?
H77A C77 H77B 108.1 . . ?
C79 C78 C80 121(2) . . ?
C79 C78 C77 118(2) . . ?
C80 C78 C77 121(2) . . ?
C78 C79 C81 121(2) . . ?
C78 C79 H79 119.4 . . ?
C81 C79 H79 119.4 . . ?
C82 C80 C78 118(2) . . ?
C82 C80 H80 121.1 . . ?
C78 C80 H80 121.1 . . ?
C83 C81 C79 123(2) . . ?
C83 C81 H81 118.6 . . ?
C79 C81 H81 118.6 . . ?
C80 C82 C83 121(2) . . ?
C80 C82 H82 119.5 . . ?
C83 C82 H82 119.5 . . ?
C81 C83 C82 116.4(18) . . ?
C81 C83 C84 123.7(19) . . ?
C82 C83 C84 120.0(16) . . ?
C83 C84 N7 112.1(11) . . ?
C83 C84 H84A 109.2 . . ?
N7 C84 H84A 109.2 . . ?
C83 C84 H84B 109.2 . . ?
N7 C84 H84B 109.2 . . ?
H84A C84 H84B 107.9 . . ?
N13 Pd7 N14 85.5(4) . . ?
N13 Pd7 Cl14 172.6(3) . . ?
N14 Pd7 Cl14 90.7(3) . . ?
N13 Pd7 Cl13 89.9(3) . . ?
N14 Pd7 Cl13 174.9(3) . . ?
Cl14 Pd7 Cl13 94.09(12) . . ?
N16 Pd8 N15 85.3(4) . . ?
N16 Pd8 Cl15 175.9(3) . . ?
N15 Pd8 Cl15 90.6(3) . . ?
N16 Pd8 Cl16 91.1(3) . . ?
N15 Pd8 Cl16 175.9(3) . . ?
Cl15 Pd8 Cl16 93.00(13) . . ?
N18 Pd9 N17 84.1(5) . . ?
N18 Pd9 Cl18 91.8(4) . . ?
N17 Pd9 Cl18 175.2(3) . . ?
N18 Pd9 Cl17 173.6(3) . . ?
N17 Pd9 Cl17 91.7(3) . . ?
Cl18 Pd9 Cl17 92.52(17) . . ?
C85 N13 C126 113.9(10) . . ?
C85 N13 Pd7 106.7(7) . . ?
C126 N13 Pd7 112.3(7) . . ?
C85 N13 H13N 107.9 . . ?
C126 N13 H13N 107.9 . . ?
Pd7 N13 H13N 107.9 . . ?
C90 N14 C91 114.5(10) . . ?
C90 N14 Pd7 107.3(8) . . ?
C91 N14 Pd7 116.1(9) . . ?
C90 N14 H14N 106.0 . . ?
C91 N14 H14N 106.0 . . ?
Pd7 N14 H14N 106.0 . . ?
C99 N15 C98 115.8(11) . . ?
C99 N15 Pd8 108.5(8) . . ?
C98 N15 Pd8 109.3(8) . . ?
C99 N15 H15N 107.7 . . ?
C98 N15 H15N 107.7 . . ?
Pd8 N15 H15N 107.7 . . ?
C104 N16 C105 112.1(11) . . ?
C104 N16 Pd8 107.4(8) . . ?
C105 N16 Pd8 116.0(9) . . ?
C104 N16 H16N 106.9 . . ?
C105 N16 H16N 106.9 . . ?
Pd8 N16 H16N 106.9 . . ?
C112 N17 C113 115.0(10) . . ?
C112 N17 Pd9 107.3(8) . . ?
C113 N17 Pd9 107.7(7) . . ?
C112 N17 H17N 108.9 . . ?
C113 N17 H17N 108.9 . . ?
Pd9 N17 H17N 108.9 . . ?
C118 N18 C119 112.5(13) . . ?
C118 N18 Pd9 109.4(9) . . ?
C119 N18 Pd9 119.3(10) . . ?
C118 N18 H18N 104.8 . . ?
C119 N18 H18N 104.8 . . ?
Pd9 N18 H18N 104.8 . . ?
C90 C85 C86 121.3(14) . . ?
C90 C85 N13 116.9(11) . . ?
C86 C85 N13 121.8(12) . . ?
C85 C86 C87 120.3(13) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C86 C87 C88 119.1(13) . . ?
C86 C87 H87 120.4 . . ?
C88 C87 H87 120.4 . . ?
C89 C88 C87 120.0(15) . . ?
C89 C88 H88 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C89 C90 119.0(14) . . ?
C88 C89 H89 120.5 . . ?
C90 C89 H89 120.5 . . ?
C85 C90 C89 119.8(12) . . ?
C85 C90 N14 119.2(13) . . ?
C89 C90 N14 120.8(11) . . ?
C92 C91 N14 113.7(11) . . ?
C92 C91 H91A 108.8 . . ?
N14 C91 H91A 108.8 . . ?
C92 C91 H91B 108.8 . . ?
N14 C91 H91B 108.8 . . ?
H91A C91 H91B 107.7 . . ?
C93 C92 C94 120.0(11) . . ?
C93 C92 C91 119.3(12) . . ?
C94 C92 C91 120.7(12) . . ?
C92 C93 C95 121.3(12) . . ?
C92 C93 H93 119.3 . . ?
C95 C93 H93 119.3 . . ?
C96 C94 C92 117.0(12) . . ?
C96 C94 H94 121.5 . . ?
C92 C94 H94 121.5 . . ?
C97 C95 C93 118.7(13) . . ?
C97 C95 H95 120.7 . . ?
C93 C95 H95 120.7 . . ?
C97 C96 C94 123.3(11) . . ?
C97 C96 H96 118.4 . . ?
C94 C96 H96 118.4 . . ?
C96 C97 C95 119.8(11) . . ?
C96 C97 C98 122.8(11) . . ?
C95 C97 C98 117.3(12) . . ?
N15 C98 C97 112.6(10) . . ?
N15 C98 H98A 109.1 . . ?
C97 C98 H98A 109.1 . . ?
N15 C98 H98B 109.1 . . ?
C97 C98 H98B 109.1 . . ?
H98A C98 H98B 107.8 . . ?
C104 C99 C100 118.2(14) . . ?
C104 C99 N15 118.7(13) . . ?
C100 C99 N15 123.0(12) . . ?
C99 C100 C101 121.7(14) . . ?
C99 C100 H100 119.1 . . ?
C101 C100 H100 119.1 . . ?
C102 C101 C100 121.0(16) . . ?
C102 C101 H101 119.5 . . ?
C100 C101 H101 119.5 . . ?
C101 C102 C103 117.8(18) . . ?
C101 C102 H102 121.1 . . ?
C103 C102 H102 121.1 . . ?
C104 C103 C102 117.9(16) . . ?
C104 C103 H103 121.1 . . ?
C102 C103 H103 121.1 . . ?
C99 C104 C103 122.8(14) . . ?
C99 C104 N16 117.6(13) . . ?
C103 C104 N16 119.5(13) . . ?
C106 C105 N16 109.8(10) . . ?
C106 C105 H10B 109.7 . . ?
N16 C105 H10B 109.7 . . ?
C106 C105 H10C 109.7 . . ?
N16 C105 H10C 109.7 . . ?
H10B C105 H10C 108.2 . . ?
C107 C106 C108 119.0(13) . . ?
C107 C106 C105 119.2(13) . . ?
C108 C106 C105 121.8(15) . . ?
C109 C107 C106 119.1(13) . . ?
C109 C107 H107 120.5 . . ?
C106 C107 H107 120.5 . . ?
C110 C108 C106 119.5(16) . . ?
C110 C108 H108 120.2 . . ?
C106 C108 H108 120.2 . . ?
C111 C109 C107 122.0(15) . . ?
C111 C109 H109 119.0 . . ?
C107 C109 H109 119.0 . . ?
C111 C110 C108 120.6(13) . . ?
C111 C110 H110 119.7 . . ?
C108 C110 H110 119.7 . . ?
C109 C111 C110 119.7(13) . . ?
C109 C111 C112 119.7(16) . . ?
C110 C111 C112 120.6(13) . . ?
C111 C112 N17 113.5(11) . . ?
C111 C112 H11B 108.9 . . ?
N17 C112 H11B 108.9 . . ?
C111 C112 H11C 108.9 . . ?
N17 C112 H11C 108.9 . . ?
H11B C112 H11C 107.7 . . ?
C118 C113 C114 131.0(16) . . ?
C118 C113 N17 113.6(13) . . ?
C114 C113 N17 115.4(11) . . ?
C113 C114 C115 114.3(14) . . ?
C113 C114 H114 122.9 . . ?
C115 C114 H114 122.9 . . ?
C114 C115 C116 117.1(16) . . ?
C114 C115 H115 121.4 . . ?
C116 C115 H115 121.4 . . ?
C117 C116 C115 122.1(18) . . ?
C117 C116 H116 119.0 . . ?
C115 C116 H116 119.0 . . ?
C116 C117 C118 120.8(16) . . ?
C116 C117 H117 119.6 . . ?
C118 C117 H117 119.6 . . ?
C113 C118 C117 114.6(16) . . ?
C113 C118 N18 122.5(16) . . ?
C117 C118 N18 122.7(14) . . ?
N18 C119 C120 110.4(10) . . ?
N18 C119 H11D 109.6 . . ?
C120 C119 H11D 109.6 . . ?
N18 C119 H11E 109.6 . . ?
C120 C119 H11E 109.6 . . ?
H11D C119 H11E 108.1 . . ?
C122 C120 C121 121.3(11) . . ?
C122 C120 C119 120.9(13) . . ?
C121 C120 C119 117.7(12) . . ?
C120 C121 C123 119.6(14) . . ?
C120 C121 H121 120.2 . . ?
C123 C121 H121 120.2 . . ?
C120 C122 C124 120.3(15) . . ?
C120 C122 H122 119.9 . . ?
C124 C122 H122 119.9 . . ?
C125 C123 C121 118.7(15) . . ?
C125 C123 H123 120.7 . . ?
C121 C123 H123 120.7 . . ?
C122 C124 C125 118.6(14) . . ?
C122 C124 H124 120.7 . . ?
C125 C124 H124 120.7 . . ?
C123 C125 C124 121.3(11) . . ?
C123 C125 C126 117.3(13) . . ?
C124 C125 C126 121.3(12) . . ?
C125 C126 N13 111.1(9) . . ?
C125 C126 H12B 109.4 . . ?
N13 C126 H12B 109.4 . . ?
C125 C126 H12C 109.4 . . ?
N13 C126 H12C 109.4 . . ?
H12B C126 H12C 108.0 . . ?
N19 Pd10 N20 83.5(4) . . ?
N19 Pd10 Cl20 174.7(4) . . ?
N20 Pd10 Cl20 91.4(3) . . ?
N19 Pd10 Cl19 91.6(3) . . ?
N20 Pd10 Cl19 174.7(3) . . ?
Cl20 Pd10 Cl19 93.56(14) . . ?
N21 Pd11 N22 81.8(6) . . ?
N21 Pd11 Cl22 171.9(5) . . ?
N22 Pd11 Cl22 94.5(5) . . ?
N21 Pd11 Cl21 90.6(6) . . ?
N22 Pd11 Cl21 172.3(5) . . ?
Cl22 Pd11 Cl21 92.8(3) . . ?
N23 Pd12 N24 85.3(8) . . ?
N23 Pd12 Cl23 92.2(7) . . ?
N24 Pd12 Cl23 177.0(7) . . ?
N23 Pd12 Cl24 171.0(7) . . ?
N24 Pd12 Cl24 85.7(8) . . ?
Cl23 Pd12 Cl24 96.8(4) . . ?
C127 N19 C168 113.3(12) . . ?
C127 N19 Pd10 108.9(8) . . ?
C168 N19 Pd10 116.4(10) . . ?
C127 N19 H19N 105.8 . . ?
C168 N19 H19N 105.8 . . ?
Pd10 N19 H19N 105.8 . . ?
C132 N20 C133 115.4(12) . . ?
C132 N20 Pd10 109.1(8) . . ?
C133 N20 Pd10 108.0(8) . . ?
C132 N20 H20N 108.0 . . ?
C133 N20 H20N 108.0 . . ?
Pd10 N20 H20N 108.0 . . ?
C141 N21 C140 117.9(14) . . ?
C141 N21 Pd11 109.7(12) . . ?
C140 N21 Pd11 115.9(11) . . ?
C141 N21 H21N 103.7 . . ?
C140 N21 H21N 103.7 . . ?
Pd11 N21 H21N 103.7 . . ?
C146 N22 C147 123.9(17) . . ?
C146 N22 Pd11 106.4(13) . . ?
C147 N22 Pd11 107.5(11) . . ?
C146 N22 H22N 106.0 . . ?
C147 N22 H22N 106.0 . . ?
Pd11 N22 H22N 106.0 . . ?
C155 N23 C154 107(2) . . ?
C155 N23 Pd12 119.3(19) . . ?
C154 N23 Pd12 122.0(16) . . ?
C155 N23 H23N 101.3 . . ?
C154 N23 H23N 101.3 . . ?
Pd12 N23 H23N 101.3 . . ?
C160 N24 C161 108(2) . . ?
C160 N24 Pd12 101.9(16) . . ?
C161 N24 Pd12 105.6(14) . . ?
C160 N24 H24N 113.4 . . ?
C161 N24 H24N 113.4 . . ?
Pd12 N24 H24N 113.4 . . ?
C128 C127 C132 121.3(15) . . ?
C128 C127 N19 123.0(14) . . ?
C132 C127 N19 115.6(13) . . ?
C127 C128 C129 122.2(14) . . ?
C127 C128 H128 118.9 . . ?
C129 C128 H128 118.9 . . ?
C130 C129 C128 117.4(14) . . ?
C130 C129 H129 121.3 . . ?
C128 C129 H129 121.3 . . ?
C129 C130 C131 120.6(14) . . ?
C129 C130 H130 119.7 . . ?
C131 C130 H130 119.7 . . ?
C132 C131 C130 119.8(13) . . ?
C132 C131 H131 120.1 . . ?
C130 C131 H131 120.1 . . ?
C127 C132 N20 119.4(13) . . ?
C127 C132 C131 118.6(14) . . ?
N20 C132 C131 122.0(12) . . ?
N20 C133 C134 111.6(11) . . ?
N20 C133 H13A 109.3 . . ?
C134 C133 H13A 109.3 . . ?
N20 C133 H13B 109.3 . . ?
C134 C133 H13B 109.3 . . ?
H13A C133 H13B 108.0 . . ?
C135 C134 C136 119.6(13) . . ?
C135 C134 C133 117.3(14) . . ?
C136 C134 C133 123.0(13) . . ?
C134 C135 C137 120.5(14) . . ?
C134 C135 H135 119.7 . . ?
C137 C135 H135 119.7 . . ?
C138 C136 C134 121.0(13) . . ?
C138 C136 H136 119.5 . . ?
C134 C136 H136 119.5 . . ?
C139 C137 C135 118.5(12) . . ?
C139 C137 H137 120.7 . . ?
C135 C137 H137 120.7 . . ?
C136 C138 C139 121.1(13) . . ?
C136 C138 H138 119.5 . . ?
C139 C138 H138 119.5 . . ?
C138 C139 C137 119.2(13) . . ?
C138 C139 C140 116.5(13) . . ?
C137 C139 C140 124.2(13) . . ?
N21 C140 C139 106.6(13) . . ?
N21 C140 H14C 110.4 . . ?
C139 C140 H14C 110.4 . . ?
N21 C140 H14D 110.4 . . ?
C139 C140 H14D 110.4 . . ?
H14C C140 H14D 108.6 . . ?
C146 C141 N21 114.2(16) . . ?
C146 C141 C142 124.3(14) . . ?
N21 C141 C142 121.5(16) . . ?
C143 C142 C141 117.5(15) . . ?
C143 C142 H142 121.3 . . ?
C141 C142 H142 121.3 . . ?
C144 C143 C142 120.6(15) . . ?
C144 C143 H143 119.7 . . ?
C142 C143 H143 119.7 . . ?
C143 C144 C145 123.2(15) . . ?
C143 C144 H144 118.4 . . ?
C145 C144 H144 118.4 . . ?
C144 C145 C146 117.3(15) . . ?
C144 C145 H145 121.3 . . ?
C146 C145 H145 121.3 . . ?
N22 C146 C141 122.0(17) . . ?
N22 C146 C145 121.0(17) . . ?
C141 C146 C145 116.9(14) . . ?
C148 C147 N22 131.5(15) . . ?
C148 C147 H14E 104.4 . . ?
N22 C147 H14E 104.4 . . ?
C148 C147 H14F 104.4 . . ?
N22 C147 H14F 104.4 . . ?
H14E C147 H14F 105.6 . . ?
C147 C148 C149 125.8(17) . . ?
C147 C148 C150 118.0(17) . . ?
C149 C148 C150 115.5(11) . . ?
C151 C149 C148 121.0(11) . . ?
C151 C149 H149 119.5 . . ?
C148 C149 H149 119.5 . . ?
C152 C150 C148 122.2(11) . . ?
C152 C150 H150 118.9 . . ?
C148 C150 H150 118.9 . . ?
C153 C151 C149 121.8(12) . . ?
C153 C151 H151 119.1 . . ?
C149 C151 H151 119.1 . . ?
C150 C152 C153 119.2(12) . . ?
C150 C152 H152 120.4 . . ?
C153 C152 H152 120.4 . . ?
C151 C153 C152 120.0(11) . . ?
C151 C153 C154 119.3(17) . . ?
C152 C153 C154 120.7(17) . . ?
N23 C154 C153 107.8(14) . . ?
N23 C154 H15A 110.1 . . ?
C153 C154 H15A 110.1 . . ?
N23 C154 H15B 110.1 . . ?
C153 C154 H15B 110.1 . . ?
H15A C154 H15B 108.5 . . ?
C156 C155 C160 121.8(12) . . ?
C156 C155 N23 129(2) . . ?
C160 C155 N23 108(2) . . ?
C155 C156 C157 119.3(13) . . ?
C155 C156 H156 120.3 . . ?
C157 C156 H156 120.3 . . ?
C158 C157 C156 118.9(13) . . ?
C158 C157 H157 120.5 . . ?
C156 C157 H157 120.5 . . ?
C159 C158 C157 121.4(13) . . ?
C159 C158 H158 119.3 . . ?
C157 C158 H158 119.3 . . ?
C158 C159 C160 119.5(13) . . ?
C158 C159 H159 120.2 . . ?
C160 C159 H159 120.2 . . ?
C155 C160 C159 119.0(12) . . ?
C155 C160 N24 120.6(19) . . ?
C159 C160 N24 120(2) . . ?
N24 C161 C162 108.7(17) . . ?
N24 C161 H16B 109.9 . . ?
C162 C161 H16B 109.9 . . ?
N24 C161 H16C 109.9 . . ?
C162 C161 H16C 109.9 . . ?
H16B C161 H16C 108.3 . . ?
C163 C162 C164 121(2) . . ?
C163 C162 C161 120(3) . . ?
C164 C162 C161 118(3) . . ?
C162 C163 C165 122(2) . . ?
C162 C163 H163 119.2 . . ?
C165 C163 H163 119.2 . . ?
C162 C164 C166 117(2) . . ?
C162 C164 H164 121.6 . . ?
C166 C164 H164 121.6 . . ?
C167 C165 C163 115(2) . . ?
C167 C165 H165 122.3 . . ?
C163 C165 H165 122.3 . . ?
C167 C166 C164 121(2) . . ?
C167 C166 H166 119.6 . . ?
C164 C166 H166 119.6 . . ?
C166 C167 C165 124(2) . . ?
C166 C167 C168 120.2(18) . . ?
C165 C167 C168 115.7(19) . . ?
N19 C168 C167 110.8(11) . . ?
N19 C168 H16D 109.5 . . ?
C167 C168 H16D 109.5 . . ?
N19 C168 H16E 109.5 . . ?
C167 C168 H16E 109.5 . . ?
H16D C168 H16E 108.1 . . ?
C6R C1R C2R 117(2) . . ?
C6R C1R C7R 125(3) . . ?
C2R C1R C7R 118(2) . . ?
C3R C2R C1R 119(2) . . ?
C3R C2R H2R 120.6 . . ?
C1R C2R H2R 120.6 . . ?
C2R C3R C4R 123(2) . . ?
C2R C3R Cl1R 117(2) . . ?
C4R C3R Cl1R 120(2) . . ?
C3R C4R C5R 118(2) . . ?
C3R C4R H4R 121.0 . . ?
C5R C4R H4R 121.0 . . ?
C6R C5R C4R 123(2) . . ?
C6R C5R H5R 118.6 . . ?
C4R C5R H5R 118.6 . . ?
C5R C6R C1R 120(2) . . ?
C5R C6R H6R 119.9 . . ?
C1R C6R H6R 119.9 . . ?
O1R C7R C1R 112(2) . . ?
O1R C7R C8R 109(2) . . ?
C1R C7R C8R 110(3) . . ?
O1R C7R H7R 108.8 . . ?
C1R C7R H7R 108.8 . . ?
C8R C7R H7R 108.8 . . ?
C7R C8R H8R1 109.5 . . ?
C7R C8R H8R2 109.5 . . ?
H8R1 C8R H8R2 109.5 . . ?
C7R C8R H8R3 109.5 . . ?
H8R1 C8R H8R3 109.5 . . ?
H8R2 C8R H8R3 109.5 . . ?
C10R C9R C14R 120.7(16) . . ?
C9R C10R C11R 119.2(16) . . ?
C12R C11R C10R 120.3(16) . . ?
C12R C11R C14Q 116(4) . . ?
C10R C11R C14Q 124(4) . . ?
C11R C12R C13R 120.4(16) . . ?
C14R C13R C12R 119.5(16) . . ?
C13R C14R C9R 119.9(16) . . ?
N5S C5S C5T 155(7) . . ?
C5S C5T H5T1 109.5 . . ?
C5S C5T H5T2 109.5 . . ?
H5T1 C5T H5T2 109.5 . . ?
C5S C5T H5T3 109.5 . . ?
H5T1 C5T H5T3 109.5 . . ?
H5T2 C5T H5T3 109.5 . . ?
C22R C17R C18R 120.8(17) . . ?
C22R C17R C23R 123.5(19) . . ?
C18R C17R C23R 115.7(18) . . ?
C19R C18R C17R 118.0(17) . . ?
C19R C18R H18R 121.0 . . ?
C17R C18R H18R 121.0 . . ?
C20R C19R C18R 121.9(17) . . ?
C20R C19R Cl3R 121.0(18) . . ?
C18R C19R Cl3R 117.1(18) . . ?
C19R C20R C21R 120.2(17) . . ?
C19R C20R H20R 119.9 . . ?
C21R C20R H20R 119.9 . . ?
C22R C21R C20R 117.9(17) . . ?
C22R C21R H21R 121.1 . . ?
C20R C21R H21R 121.1 . . ?
C17R C22R C21R 121.1(18) . . ?
C17R C22R H22R 119.4 . . ?
C21R C22R H22R 119.4 . . ?
O3R C23R C17R 106(3) . . ?
C2G C1G C6G 120.0 . . ?
C2G C1G C7G 117.5(16) . . ?
C6G C1G C7G 122.2(16) . . ?
O2G C2G C3G 120.4(13) . . ?
O2G C2G C1G 119.6(13) . . ?
C3G C2G C1G 120.0 . . ?
C2G C3G C4G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C4G C3G H3G 120.0 . . ?
C3G C4G C5G 120.0 . . ?
C3G C4G H4G 120.0 . . ?
C5G C4G H4G 120.0 . . ?
C4G C5G C6G 120.0 . . ?
C4G C5G H5G 120.0 . . ?
C6G C5G H5G 120.0 . . ?
C5G C6G C1G 120.0 . . ?
C5G C6G H6G 120.0 . . ?
C1G C6G H6G 120.0 . . ?
O1G C7G C1G 130(3) . . ?
O1G C7G C8G 119(3) . . ?
C1G C7G C8G 110(3) . . ?
C7G C8G H8G1 109.5 . . ?
C7G C8G H8G2 109.5 . . ?
H8G1 C8G H8G2 109.5 . . ?
C7G C8G H8G3 109.5 . . ?
H8G1 C8G H8G3 109.5 . . ?
H8G2 C8G H8G3 109.5 . . ?
N1S C1S C1T 176.9(16) . . ?
C1S C1T H1T1 109.5 . . ?
C1S C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C1S C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
N2S C2S C2T 176.6(15) . . ?
C2S C2T H2T1 109.5 . . ?
C2S C2T H2T2 109.5 . . ?
H2T1 C2T H2T2 109.5 . . ?
C2S C2T H2T3 109.5 . . ?
H2T1 C2T H2T3 109.5 . . ?
H2T2 C2T H2T3 109.5 . . ?
N3S C3S C3T 166(4) . . ?
C3S C3T H3T1 109.5 . . ?
C3S C3T H3T2 109.5 . . ?
H3T1 C3T H3T2 109.5 . . ?
C3S C3T H3T3 109.5 . . ?
H3T1 C3T H3T3 109.5 . . ?
H3T2 C3T H3T3 109.5 . . ?
N4S C4S C4T 154(7) . . ?
C4S C4T H4T1 109.5 . . ?
C4S C4T H4T2 109.5 . . ?
H4T1 C4T H4T2 109.5 . . ?
C4S C4T H4T3 109.5 . . ?
H4T1 C4T H4T3 109.5 . . ?
H4T2 C4T H4T3 109.5 . . ?
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 N1 2.036(9) . ?
Pd1 N2 2.040(12) . ?
Pd1 Cl2 2.314(3) . ?
Pd1 Cl1 2.322(4) . ?
Pd2 N3 2.047(10) . ?
Pd2 N4 2.089(12) . ?
Pd2 Cl4 2.303(3) . ?
Pd2 Cl3 2.307(4) . ?
Pd3 N5 2.022(12) . ?
Pd3 N6 2.070(13) . ?
Pd3 Cl6 2.295(4) . ?
Pd3 Cl5 2.307(4) . ?
N1 C1 1.497(18) . ?
N1 C42 1.519(14) . ?
N1 H1N 1.0000 . ?
N2 C6 1.475(16) . ?
N2 C7 1.500(16) . ?
N2 H2N 1.0000 . ?
N3 C15 1.498(19) . ?
N3 C14 1.538(16) . ?
N3 H3N 1.0000 . ?
N4 C20 1.447(19) . ?
N4 C21 1.472(17) . ?
N4 H4N 1.0000 . ?
N5 C28 1.548(15) . ?
N5 C29 1.559(17) . ?
N5 H5N 1.0000 . ?
N6 C34 1.421(19) . ?
N6 C35 1.504(14) . ?
N6 H6N 1.0000 . ?
C1 C2 1.360(18) . ?
C1 C6 1.383(18) . ?
C2 C3 1.40(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.34(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.41(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.39(2) . ?
C5 H5A 0.9500 . ?
C7 C8 1.531(17) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.364(18) . ?
C8 C9 1.39(2) . ?
C9 C11 1.353(19) . ?
C9 H9A 0.9500 . ?
C10 C12 1.373(18) . ?
C10 H10A 0.9500 . ?
C11 C13 1.416(19) . ?
C11 H11A 0.9500 . ?
C12 C13 1.41(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.484(17) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C20 1.32(2) . ?
C15 C16 1.41(2) . ?
C16 C17 1.41(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.24(3) . ?
C17 H17A 0.9500 . ?
C18 C19 1.39(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.37(2) . ?
C19 H19A 0.9500 . ?
C21 C22 1.550(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.37(2) . ?
C22 C24 1.40(2) . ?
C23 C25 1.39(2) . ?
C23 H23A 0.9500 . ?
C24 C26 1.36(2) . ?
C24 H24A 0.9500 . ?
C25 C27 1.387(19) . ?
C25 H25 0.9500 . ?
C26 C27 1.45(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.491(18) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C34 1.318(17) . ?
C29 C30 1.412(19) . ?
C30 C31 1.44(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.38(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.37(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.39(2) . ?
C33 H33 0.9500 . ?
C35 C36 1.506(16) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.34(2) . ?
C36 C38 1.44(2) . ?
C37 C39 1.413(17) . ?
C37 H37 0.9500 . ?
C38 C40 1.400(18) . ?
C38 H38 0.9500 . ?
C39 C41 1.37(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.38(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.542(15) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
Pd4 N8 2.045(9) . ?
Pd4 N7 2.062(10) . ?
Pd4 Cl8 2.294(3) . ?
Pd4 Cl7 2.304(4) . ?
Pd5 N9 2.040(12) . ?
Pd5 N10 2.058(13) . ?
Pd5 Cl10 2.287(6) . ?
Pd5 Cl9 2.301(6) . ?
Pd6 N11 2.040(16) . ?
Pd6 N12 2.062(16) . ?
Pd6 Cl11 2.309(8) . ?
Pd6 Cl12 2.329(11) . ?
N7 C43 1.486(15) . ?
N7 C84 1.542(15) . ?
N7 H7N 1.0000 . ?
N8 C48 1.488(15) . ?
N8 C49 1.529(15) . ?
N8 H8N 1.0000 . ?
N9 C57 1.478(17) . ?
N9 C56 1.519(16) . ?
N9 H9N 1.0000 . ?
N10 C62 1.426(15) . ?
N10 C63 1.497(18) . ?
N10 H10N 1.0000 . ?
N11 C71 1.461(19) . ?
N11 C70 1.55(2) . ?
N11 H11N 1.0000 . ?
N12 C76 1.485(19) . ?
N12 C77 1.552(18) . ?
N12 H12N 1.0000 . ?
C43 C48 1.390(18) . ?
C43 C44 1.41(2) . ?
C44 C45 1.33(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.44(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.38(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.38(2) . ?
C47 H47 0.9500 . ?
C49 C50 1.514(16) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C52 1.360(19) . ?
C50 C51 1.372(18) . ?
C51 C53 1.45(2) . ?
C51 H51 0.9500 . ?
C52 C54 1.41(2) . ?
C52 H52 0.9500 . ?
C53 C55 1.46(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.38(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.501(16) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C62 1.35(2) . ?
C57 C58 1.37(2) . ?
C58 C59 1.36(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.27(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.52(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.46(3) . ?
C61 H61 0.9500 . ?
C63 C64 1.54(2) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.31(3) . ?
C64 C66 1.49(3) . ?
C65 C67 1.51(4) . ?
C65 H65 0.9500 . ?
C66 C68 1.29(3) . ?
C66 H66 0.9500 . ?
C67 C69 1.42(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.48(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.51(2) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.375(19) . ?
C71 C76 1.385(19) . ?
C72 C73 1.377(19) . ?
C72 H72 0.9500 . ?
C73 C74 1.38(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.387(19) . ?
C74 H74 0.9500 . ?
C75 C76 1.377(19) . ?
C75 H75 0.9500 . ?
C77 C78 1.47(2) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.33(3) . ?
C78 C80 1.43(3) . ?
C79 C81 1.40(3) . ?
C79 H79 0.9500 . ?
C80 C82 1.40(3) . ?
C80 H80 0.9500 . ?
C81 C83 1.34(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.47(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.500(18) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
Pd7 N13 2.028(9) . ?
Pd7 N14 2.040(12) . ?
Pd7 Cl14 2.303(3) . ?
Pd7 Cl13 2.308(4) . ?
Pd8 N16 2.023(12) . ?
Pd8 N15 2.055(10) . ?
Pd8 Cl15 2.301(4) . ?
Pd8 Cl16 2.312(3) . ?
Pd9 N18 1.998(15) . ?
Pd9 N17 2.073(13) . ?
Pd9 Cl18 2.299(4) . ?
Pd9 Cl17 2.318(4) . ?
N13 C85 1.494(18) . ?
N13 C126 1.519(13) . ?
N13 H13N 1.0000 . ?
N14 C90 1.460(15) . ?
N14 C91 1.523(16) . ?
N14 H14N 1.0000 . ?
N15 C99 1.438(19) . ?
N15 C98 1.514(15) . ?
N15 H15N 1.0000 . ?
N16 C104 1.522(18) . ?
N16 C105 1.543(17) . ?
N16 H16N 1.0000 . ?
N17 C112 1.512(15) . ?
N17 C113 1.57(2) . ?
N17 H17N 1.0000 . ?
N18 C118 1.48(2) . ?
N18 C119 1.502(17) . ?
N18 H18N 1.0000 . ?
C85 C90 1.365(18) . ?
C85 C86 1.380(17) . ?
C86 C87 1.41(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.42(2) . ?
C87 H87 0.9500 . ?
C88 C89 1.39(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.44(2) . ?
C89 H89 0.9500 . ?
C91 C92 1.481(17) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.40(2) . ?
C92 C94 1.419(17) . ?
C93 C95 1.425(19) . ?
C93 H93 0.9500 . ?
C94 C96 1.418(17) . ?
C94 H94 0.9500 . ?
C95 C97 1.393(18) . ?
C95 H95 0.9500 . ?
C96 C97 1.379(19) . ?
C96 H96 0.9500 . ?
C97 C98 1.530(15) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C104 1.363(19) . ?
C99 C100 1.39(2) . ?
C100 C101 1.41(2) . ?
C100 H100 0.9500 . ?
C101 C102 1.36(2) . ?
C101 H101 0.9500 . ?
C102 C103 1.47(2) . ?
C102 H102 0.9500 . ?
C103 C104 1.41(2) . ?
C103 H103 0.9500 . ?
C105 C106 1.49(2) . ?
C105 H10B 0.9900 . ?
C105 H10C 0.9900 . ?
C106 C107 1.42(2) . ?
C106 C108 1.42(2) . ?
C107 C109 1.396(19) . ?
C107 H107 0.9500 . ?
C108 C110 1.40(2) . ?
C108 H108 0.9500 . ?
C109 C111 1.37(2) . ?
C109 H109 0.9500 . ?
C110 C111 1.40(2) . ?
C110 H110 0.9500 . ?
C111 C112 1.505(19) . ?
C112 H11B 0.9900 . ?
C112 H11C 0.9900 . ?
C113 C118 1.296(18) . ?
C113 C114 1.35(2) . ?
C114 C115 1.42(2) . ?
C114 H114 0.9500 . ?
C115 C116 1.44(2) . ?
C115 H115 0.9500 . ?
C116 C117 1.31(3) . ?
C116 H116 0.9500 . ?
C117 C118 1.42(2) . ?
C117 H117 0.9500 . ?
C119 C120 1.544(16) . ?
C119 H11D 0.9900 . ?
C119 H11E 0.9900 . ?
C120 C122 1.37(2) . ?
C120 C121 1.40(2) . ?
C121 C123 1.411(17) . ?
C121 H121 0.9500 . ?
C122 C124 1.406(17) . ?
C122 H122 0.9500 . ?
C123 C125 1.40(2) . ?
C123 H123 0.9500 . ?
C124 C125 1.41(2) . ?
C124 H124 0.9500 . ?
C125 C126 1.499(15) . ?
C126 H12B 0.9900 . ?
C126 H12C 0.9900 . ?
Pd10 N19 2.037(12) . ?
Pd10 N20 2.049(11) . ?
Pd10 Cl20 2.296(3) . ?
Pd10 Cl19 2.302(4) . ?
Pd11 N21 1.977(15) . ?
Pd11 N22 2.073(18) . ?
Pd11 Cl22 2.315(6) . ?
Pd11 Cl21 2.329(8) . ?
Pd12 N23 1.82(2) . ?
Pd12 N24 2.05(2) . ?
Pd12 Cl23 2.319(10) . ?
Pd12 Cl24 2.340(12) . ?
N19 C127 1.48(2) . ?
N19 C168 1.495(15) . ?
N19 H19N 1.0000 . ?
N20 C132 1.398(18) . ?
N20 C133 1.509(16) . ?
N20 H20N 1.0000 . ?
N21 C141 1.43(2) . ?
N21 C140 1.559(17) . ?
N21 H21N 1.0000 . ?
N22 C146 1.33(2) . ?
N22 C147 1.572(19) . ?
N22 H22N 1.0000 . ?
N23 C155 1.44(3) . ?
N23 C154 1.50(2) . ?
N23 H23N 1.0000 . ?
N24 C160 1.52(3) . ?
N24 C161 1.53(2) . ?
N24 H24N 1.0000 . ?
C127 C128 1.38(2) . ?
C127 C132 1.392(19) . ?
C128 C129 1.41(2) . ?
C128 H128 0.9500 . ?
C129 C130 1.39(2) . ?
C129 H129 0.9500 . ?
C130 C131 1.46(2) . ?
C130 H130 0.9500 . ?
C131 C132 1.40(2) . ?
C131 H131 0.9500 . ?
C133 C134 1.583(16) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C134 C135 1.350(19) . ?
C134 C136 1.40(2) . ?
C135 C137 1.41(2) . ?
C135 H135 0.9500 . ?
C136 C138 1.33(2) . ?
C136 H136 0.9500 . ?
C137 C139 1.40(2) . ?
C137 H137 0.9500 . ?
C138 C139 1.382(19) . ?
C138 H138 0.9500 . ?
C139 C140 1.574(17) . ?
C140 H14C 0.9900 . ?
C140 H14D 0.9900 . ?
C141 C146 1.36(3) . ?
C141 C142 1.43(3) . ?
C142 C143 1.39(3) . ?
C142 H142 0.9500 . ?
C143 C144 1.37(3) . ?
C143 H143 0.9500 . ?
C144 C145 1.40(3) . ?
C144 H144 0.9500 . ?
C145 C146 1.49(3) . ?
C145 H145 0.9500 . ?
C147 C148 1.28(2) . ?
C147 H14E 0.9900 . ?
C147 H14F 0.9900 . ?
C148 C149 1.40(3) . ?
C148 C150 1.45(2) . ?
C149 C151 1.40(3) . ?
C149 H149 0.9500 . ?
C150 C152 1.35(3) . ?
C150 H150 0.9500 . ?
C151 C153 1.33(3) . ?
C151 H151 0.9500 . ?
C152 C153 1.43(3) . ?
C152 H152 0.9500 . ?
C153 C154 1.632(19) . ?
C154 H15A 0.9900 . ?
C154 H15B 0.9900 . ?
C155 C156 1.35(3) . ?
C155 C160 1.39(3) . ?
C156 C157 1.44(3) . ?
C156 H156 0.9500 . ?
C157 C158 1.38(3) . ?
C157 H157 0.9500 . ?
C158 C159 1.36(3) . ?
C158 H158 0.9500 . ?
C159 C160 1.43(3) . ?
C159 H159 0.9500 . ?
C161 C162 1.61(2) . ?
C161 H16B 0.9900 . ?
C161 H16C 0.9900 . ?
C162 C163 1.28(3) . ?
C162 C164 1.35(3) . ?
C163 C165 1.48(3) . ?
C163 H163 0.9500 . ?
C164 C166 1.45(3) . ?
C164 H164 0.9500 . ?
C165 C167 1.31(3) . ?
C165 H165 0.9500 . ?
C166 C167 1.27(3) . ?
C166 H166 0.9500 . ?
C167 C168 1.586(19) . ?
C168 H16D 0.9900 . ?
C168 H16E 0.9900 . ?
Cl1R C3R 1.73(2) . ?
C1R C6R 1.45(4) . ?
C1R C2R 1.46(4) . ?
C1R C7R 1.46(2) . ?
C2R C3R 1.29(4) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.39(4) . ?
C4R C5R 1.40(4) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.27(4) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
C7R O1R 1.43(2) . ?
C7R C8R 1.53(2) . ?
C7R H7R 1.0000 . ?
C8R H8R1 0.9800 . ?
C8R H8R2 0.9800 . ?
C8R H8R3 0.9800 . ?
C14Q C11R 1.504(14) . ?
C9R C10R 1.39(2) . ?
C9R C14R 1.40(2) . ?
C10R C11R 1.41(2) . ?
C11R C12R 1.37(2) . ?
C12R C13R 1.43(2) . ?
C13R C14R 1.38(2) . ?
N5S C5S 1.11(3) . ?
C5S C5T 1.52(3) . ?
C5T H5T1 0.9800 . ?
C5T H5T2 0.9800 . ?
C5T H5T3 0.9800 . ?
Cl3R C19R 1.72(3) . ?
C17R C22R 1.33(2) . ?
C17R C18R 1.39(2) . ?
C17R C23R 1.49(3) . ?
C18R C19R 1.35(2) . ?
C18R H18R 0.9500 . ?
C19R C20R 1.34(2) . ?
C20R C21R 1.39(2) . ?
C20R H20R 0.9500 . ?
C21R C22R 1.38(2) . ?
C21R H21R 0.9500 . ?
C22R H22R 0.9500 . ?
C23R O3R 1.46(3) . ?
C1G C2G 1.3900 . ?
C1G C6G 1.3900 . ?
C1G C7G 1.50(3) . ?
C2G O2G 1.34(2) . ?
C2G C3G 1.3900 . ?
C3G C4G 1.3900 . ?
C3G H3G 0.9500 . ?
C4G C5G 1.3900 . ?
C4G H4G 0.9500 . ?
C5G C6G 1.3900 . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C7G O1G 1.18(3) . ?
C7G C8G 1.55(4) . ?
C8G H8G1 0.9800 . ?
C8G H8G2 0.9800 . ?
C8G H8G3 0.9800 . ?
N1S C1S 1.164(19) . ?
C1S C1T 1.48(2) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
N2S C2S 1.157(19) . ?
C2S C2T 1.48(2) . ?
C2T H2T1 0.9800 . ?
C2T H2T2 0.9800 . ?
C2T H2T3 0.9800 . ?
N3S C3S 1.23(5) . ?
C3S C3T 1.29(4) . ?
C3T H3T1 0.9800 . ?
C3T H3T2 0.9800 . ?
C3T H3T3 0.9800 . ?
N4S C4S 1.14(3) . ?
C4S C4T 1.52(3) . ?
C4T H4T1 0.9800 . ?
C4T H4T2 0.9800 . ?
C4T H4T3 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1N Cl14 . . . 3.277(10) 1.000(10) 2.339(3) 155.8(6) no
N2 H2N Cl20 . . . 3.243(11) 1.000(10) 2.381(4) 143.9(6) no
N3 H3N Cl15 . . 1_554 3.204(11) 1.000(10) 2.274(3) 154.2(6) no
N4 H4N N2S . . 1_554 2.983(17) 1.000(11) 2.123(14) 143.0(7) no
N5 H5N Cl16 . . 1_654 3.258(10) 1.000(10) 2.451(3) 137.4(6) no
N6 H6N Cl2 . . 1_655 3.132(10) 1.000(9) 2.167(3) 161.7(6) no
N9 H9N O1R^a . . 1_455 2.702 1.000(13) 1.789 150.1 no
N10 H10N Cl23 . . 2_546 3.146(17) 1.000(14) 2.262(10) 146.7(9) no
N11 H11N Cl22 . . 2_646 3.198(18) 1.000(16) 2.263(7) 154.9(10) no
N12 H12N O1W . . . 2.55(4) 1.000(19) 1.58(3) 163.4(15) no
N13 H13N Cl2 . . . 3.286(10) 1.000(10) 2.360(3) 153.8(6) no
N14 H14N Cl8 . . . 3.276(11) 1.000(9) 2.418(4) 143.4(6) no
N15 H15N Cl3 . . 1_556 3.235(11) 1.000(11) 2.280(3) 159.3(6) no
N16 H16N N1S . . 1_556 2.956(17) 1.000(11) 2.114(13) 140.5(7) no
N17 H17N Cl4 . . 1_456 3.280(11) 1.000(11) 2.487(3) 135.9(6) no
N18 H18N Cl14 . . 1_455 3.137(10) 1.000(10) 2.175(3) 160.9(8) no
N22 H22N Cl11 . . 2_656 3.200(18) 1.000(15) 2.272(8) 153.7(10) no
N24 H24N O2W . . . 3.06(4) 1.00(2) 2.07(4) 172.7(17) no
O3W^b H2R^a Cl1R^a . . . 2.626 1.380 2.666 73.3 no
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
C42 N1 C1 C2 -78.2(14) . . . . ?
Pd1 N1 C1 C2 158.9(10) . . . . ?
C42 N1 C1 C6 105.4(12) . . . . ?
Pd1 N1 C1 C6 -17.5(12) . . . . ?
C6 C1 C2 C3 -4.4(19) . . . . ?
N1 C1 C2 C3 179.4(11) . . . . ?
C1 C2 C3 C4 0(2) . . . . ?
C2 C3 C4 C5 4(2) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C2 C1 C6 C5 6.2(19) . . . . ?
N1 C1 C6 C5 -177.5(11) . . . . ?
C2 C1 C6 N2 -170.0(11) . . . . ?
N1 C1 C6 N2 6.3(16) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C4 C5 C6 N2 173.1(12) . . . . ?
C7 N2 C6 C1 -121.8(12) . . . . ?
Pd1 N2 C6 C1 8.3(13) . . . . ?
C7 N2 C6 C5 62.0(15) . . . . ?
Pd1 N2 C6 C5 -167.9(10) . . . . ?
C6 N2 C7 C8 73.3(14) . . . . ?
Pd1 N2 C7 C8 -52.7(13) . . . . ?
N2 C7 C8 C10 -82.6(17) . . . . ?
N2 C7 C8 C9 98.6(14) . . . . ?
C10 C8 C9 C11 2(2) . . . . ?
C7 C8 C9 C11 -179.2(13) . . . . ?
C9 C8 C10 C12 -3(2) . . . . ?
C7 C8 C10 C12 177.8(13) . . . . ?
C8 C9 C11 C13 0(2) . . . . ?
C8 C10 C12 C13 3(2) . . . . ?
C10 C12 C13 C11 0(2) . . . . ?
C10 C12 C13 C14 176.0(13) . . . . ?
C9 C11 C13 C12 -1(2) . . . . ?
C9 C11 C13 C14 -177.2(14) . . . . ?
C12 C13 C14 N3 -102.6(15) . . . . ?
C11 C13 C14 N3 73.7(18) . . . . ?
C15 N3 C14 C13 67.1(15) . . . . ?
Pd2 N3 C14 C13 -175.0(10) . . . . ?
C14 N3 C15 C20 105.7(13) . . . . ?
Pd2 N3 C15 C20 -15.3(14) . . . . ?
C14 N3 C15 C16 -73.5(15) . . . . ?
Pd2 N3 C15 C16 165.5(11) . . . . ?
C20 C15 C16 C17 0(2) . . . . ?
N3 C15 C16 C17 179.4(14) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C16 C17 C18 C19 1(3) . . . . ?
C17 C18 C19 C20 1(3) . . . . ?
C16 C15 C20 C19 1(2) . . . . ?
N3 C15 C20 C19 -178.2(12) . . . . ?
C16 C15 C20 N4 -174.3(12) . . . . ?
N3 C15 C20 N4 6.5(18) . . . . ?
C18 C19 C20 C15 -1(2) . . . . ?
C18 C19 C20 N4 173.9(14) . . . . ?
C21 N4 C20 C15 -122.8(14) . . . . ?
Pd2 N4 C20 C15 6.0(14) . . . . ?
C21 N4 C20 C19 61.8(17) . . . . ?
Pd2 N4 C20 C19 -169.3(11) . . . . ?
C20 N4 C21 C22 73.3(17) . . . . ?
Pd2 N4 C21 C22 -51.3(15) . . . . ?
N4 C21 C22 C23 89.9(15) . . . . ?
N4 C21 C22 C24 -87.6(16) . . . . ?
C24 C22 C23 C25 0(2) . . . . ?
C21 C22 C23 C25 -177.2(11) . . . . ?
C23 C22 C24 C26 -2(2) . . . . ?
C21 C22 C24 C26 175.4(12) . . . . ?
C22 C23 C25 C27 1.6(19) . . . . ?
C22 C24 C26 C27 2(2) . . . . ?
C23 C25 C27 C26 -1.9(19) . . . . ?
C23 C25 C27 C28 178.2(11) . . . . ?
C24 C26 C27 C25 0.2(19) . . . . ?
C24 C26 C27 C28 -179.9(12) . . . . ?
C25 C27 C28 N5 83.2(16) . . . . ?
C26 C27 C28 N5 -96.7(15) . . . . ?
C29 N5 C28 C27 79.4(14) . . . . ?
Pd3 N5 C28 C27 -159.3(11) . . . . ?
C28 N5 C29 C34 105.6(11) . . . . ?
Pd3 N5 C29 C34 -16.4(10) . . . . ?
C28 N5 C29 C30 -73.0(12) . . . . ?
Pd3 N5 C29 C30 165.0(9) . . . . ?
C34 C29 C30 C31 1(2) . . . . ?
N5 C29 C30 C31 179.2(11) . . . . ?
C29 C30 C31 C32 -1(2) . . . . ?
C30 C31 C32 C33 1(2) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C30 C29 C34 C33 0.2(19) . . . . ?
N5 C29 C34 C33 -178.3(10) . . . . ?
C30 C29 C34 N6 -174.9(12) . . . . ?
N5 C29 C34 N6 6.7(15) . . . . ?
C32 C33 C34 C29 -1(2) . . . . ?
C32 C33 C34 N6 174.4(12) . . . . ?
C35 N6 C34 C29 -127.5(12) . . . . ?
Pd3 N6 C34 C29 6.4(13) . . . . ?
C35 N6 C34 C33 57.7(15) . . . . ?
Pd3 N6 C34 C33 -168.4(10) . . . . ?
C34 N6 C35 C36 77.9(16) . . . . ?
Pd3 N6 C35 C36 -52.0(15) . . . . ?
N6 C35 C36 C37 104.3(14) . . . . ?
N6 C35 C36 C38 -78.1(16) . . . . ?
C38 C36 C37 C39 0.7(17) . . . . ?
C35 C36 C37 C39 178.3(10) . . . . ?
C37 C36 C38 C40 -4.1(17) . . . . ?
C35 C36 C38 C40 178.2(11) . . . . ?
C36 C37 C39 C41 3.0(18) . . . . ?
C36 C38 C40 C41 4.0(18) . . . . ?
C37 C39 C41 C40 -3.2(18) . . . . ?
C37 C39 C41 C42 -179.9(10) . . . . ?
C38 C40 C41 C39 -0.4(19) . . . . ?
C38 C40 C41 C42 176.1(11) . . . . ?
C1 N1 C42 C41 66.6(14) . . . . ?
Pd1 N1 C42 C41 -172.3(9) . . . . ?
C39 C41 C42 N1 85.4(15) . . . . ?
C40 C41 C42 N1 -91.1(15) . . . . ?
C84 N7 C43 C48 118.0(15) . . . . ?
Pd4 N7 C43 C48 -10.0(17) . . . . ?
C84 N7 C43 C44 -66.2(19) . . . . ?
Pd4 N7 C43 C44 165.8(13) . . . . ?
C48 C43 C44 C45 1(3) . . . . ?
N7 C43 C44 C45 -174.9(15) . . . . ?
C43 C44 C45 C46 1(3) . . . . ?
C44 C45 C46 C47 -1(3) . . . . ?
C45 C46 C47 C48 -2(2) . . . . ?
C46 C47 C48 C43 4(2) . . . . ?
C46 C47 C48 N8 -179.4(14) . . . . ?
C44 C43 C48 C47 -3(2) . . . . ?
N7 C43 C48 C47 172.6(13) . . . . ?
C44 C43 C48 N8 179.9(14) . . . . ?
N7 C43 C48 N8 -4(2) . . . . ?
C49 N8 C48 C47 77.3(17) . . . . ?
Pd4 N8 C48 C47 -160.4(12) . . . . ?
C49 N8 C48 C43 -105.9(14) . . . . ?
Pd4 N8 C48 C43 16.4(17) . . . . ?
C48 N8 C49 C50 -62.1(14) . . . . ?
Pd4 N8 C49 C50 176.8(8) . . . . ?
N8 C49 C50 C52 102.0(17) . . . . ?
N8 C49 C50 C51 -77.0(17) . . . . ?
C52 C50 C51 C53 -2(2) . . . . ?
C49 C50 C51 C53 177.4(14) . . . . ?
C51 C50 C52 C54 -2(2) . . . . ?
C49 C50 C52 C54 179.3(13) . . . . ?
C50 C51 C53 C55 4(2) . . . . ?
C50 C52 C54 C55 3(2) . . . . ?
C52 C54 C55 C53 0(2) . . . . ?
C52 C54 C55 C56 177.4(14) . . . . ?
C51 C53 C55 C54 -3(2) . . . . ?
C51 C53 C55 C56 179.2(14) . . . . ?
C54 C55 C56 N9 93.5(18) . . . . ?
C53 C55 C56 N9 -88.8(18) . . . . ?
C57 N9 C56 C55 60.1(18) . . . . ?
Pd5 N9 C56 C55 -65.8(16) . . . . ?
C56 N9 C57 C62 -118.4(15) . . . . ?
Pd5 N9 C57 C62 13.2(16) . . . . ?
C56 N9 C57 C58 64(2) . . . . ?
Pd5 N9 C57 C58 -164.0(13) . . . . ?
C62 C57 C58 C59 2(3) . . . . ?
N9 C57 C58 C59 179.0(15) . . . . ?
C57 C58 C59 C60 -2(3) . . . . ?
C58 C59 C60 C61 4(3) . . . . ?
C59 C60 C61 C62 -7(3) . . . . ?
C58 C57 C62 N10 179.8(16) . . . . ?
N9 C57 C62 N10 3(2) . . . . ?
C58 C57 C62 C61 -5(2) . . . . ?
N9 C57 C62 C61 178.0(14) . . . . ?
C63 N10 C62 C57 108.9(18) . . . . ?
Pd5 N10 C62 C57 -16.5(18) . . . . ?
C63 N10 C62 C61 -66.1(18) . . . . ?
Pd5 N10 C62 C61 168.6(13) . . . . ?
C60 C61 C62 C57 7(2) . . . . ?
C60 C61 C62 N10 -177.3(15) . . . . ?
C62 N10 C63 C64 175.2(15) . . . . ?
Pd5 N10 C63 C64 -69.2(18) . . . . ?
N10 C63 C64 C65 -86(3) . . . . ?
N10 C63 C64 C66 100(2) . . . . ?
C66 C64 C65 C67 -11(4) . . . . ?
C63 C64 C65 C67 176(2) . . . . ?
C65 C64 C66 C68 11(4) . . . . ?
C63 C64 C66 C68 -176(3) . . . . ?
C64 C65 C67 C69 12(6) . . . . ?
C64 C66 C68 C69 -11(5) . . . . ?
C65 C67 C69 C68 -11(6) . . . . ?
C65 C67 C69 C70 170(3) . . . . ?
C66 C68 C69 C67 11(6) . . . . ?
C66 C68 C69 C70 -169(3) . . . . ?
C67 C69 C70 N11 -83(4) . . . . ?
C68 C69 C70 N11 97(4) . . . . ?
C71 N11 C70 C69 -92(3) . . . . ?
Pd6 N11 C70 C69 41(3) . . . . ?
C70 N11 C71 C72 -56(3) . . . . ?
Pd6 N11 C71 C72 165.6(17) . . . . ?
C70 N11 C71 C76 126(2) . . . . ?
Pd6 N11 C71 C76 -13(2) . . . . ?
C76 C71 C72 C73 4(3) . . . . ?
N11 C71 C72 C73 -175(2) . . . . ?
C71 C72 C73 C74 -1(3) . . . . ?
C72 C73 C74 C75 -3(3) . . . . ?
C73 C74 C75 C76 6(3) . . . . ?
C74 C75 C76 C71 -4(2) . . . . ?
C74 C75 C76 N12 180(2) . . . . ?
C72 C71 C76 C75 -1(3) . . . . ?
N11 C71 C76 C75 177(2) . . . . ?
C72 C71 C76 N12 176(2) . . . . ?
N11 C71 C76 N12 -6(3) . . . . ?
C77 N12 C76 C75 76(3) . . . . ?
Pd6 N12 C76 C75 -162.4(15) . . . . ?
C77 N12 C76 C71 -100(2) . . . . ?
Pd6 N12 C76 C71 21(2) . . . . ?
C76 N12 C77 C78 -59(3) . . . . ?
Pd6 N12 C77 C78 -177.6(19) . . . . ?
N12 C77 C78 C79 -90(3) . . . . ?
N12 C77 C78 C80 97(2) . . . . ?
C80 C78 C79 C81 -4(3) . . . . ?
C77 C78 C79 C81 -176.9(17) . . . . ?
C79 C78 C80 C82 7(3) . . . . ?
C77 C78 C80 C82 179.4(17) . . . . ?
C78 C79 C81 C83 0(3) . . . . ?
C78 C80 C82 C83 -5(3) . . . . ?
C79 C81 C83 C82 2(2) . . . . ?
C79 C81 C83 C84 -176.8(15) . . . . ?
C80 C82 C83 C81 1(2) . . . . ?
C80 C82 C83 C84 179.8(14) . . . . ?
C81 C83 C84 N7 -88.7(18) . . . . ?
C82 C83 C84 N7 92.5(16) . . . . ?
C43 N7 C84 C83 -79.0(16) . . . . ?
Pd4 N7 C84 C83 45.6(16) . . . . ?
C126 N13 C85 C90 -104.7(12) . . . . ?
Pd7 N13 C85 C90 19.8(12) . . . . ?
C126 N13 C85 C86 78.0(13) . . . . ?
Pd7 N13 C85 C86 -157.5(9) . . . . ?
C90 C85 C86 C87 3.2(19) . . . . ?
N13 C85 C86 C87 -179.6(11) . . . . ?
C85 C86 C87 C88 3(2) . . . . ?
C86 C87 C88 C89 -6(2) . . . . ?
C87 C88 C89 C90 3(2) . . . . ?
C86 C85 C90 C89 -6.7(18) . . . . ?
N13 C85 C90 C89 176.0(10) . . . . ?
C86 C85 C90 N14 169.2(10) . . . . ?
N13 C85 C90 N14 -8.1(16) . . . . ?
C88 C89 C90 C85 3.5(19) . . . . ?
C88 C89 C90 N14 -172.3(11) . . . . ?
C91 N14 C90 C85 122.3(13) . . . . ?
Pd7 N14 C90 C85 -8.1(12) . . . . ?
C91 N14 C90 C89 -61.8(15) . . . . ?
Pd7 N14 C90 C89 167.8(10) . . . . ?
C90 N14 C91 C92 -72.4(16) . . . . ?
Pd7 N14 C91 C92 53.6(14) . . . . ?
N14 C91 C92 C93 -97.8(14) . . . . ?
N14 C91 C92 C94 80.0(17) . . . . ?
C94 C92 C93 C95 -1(2) . . . . ?
C91 C92 C93 C95 176.8(13) . . . . ?
C93 C92 C94 C96 -0.1(19) . . . . ?
C91 C92 C94 C96 -177.8(12) . . . . ?
C92 C93 C95 C97 1(2) . . . . ?
C92 C94 C96 C97 1(2) . . . . ?
C94 C96 C97 C95 -2(2) . . . . ?
C94 C96 C97 C98 -177.8(12) . . . . ?
C93 C95 C97 C96 0(2) . . . . ?
C93 C95 C97 C98 176.9(12) . . . . ?
C99 N15 C98 C97 -60.5(15) . . . . ?
Pd8 N15 C98 C97 176.7(9) . . . . ?
C96 C97 C98 N15 95.8(15) . . . . ?
C95 C97 C98 N15 -80.5(16) . . . . ?
C98 N15 C99 C104 -108.5(14) . . . . ?
Pd8 N15 C99 C104 14.7(15) . . . . ?
C98 N15 C99 C100 74.3(16) . . . . ?
Pd8 N15 C99 C100 -162.5(11) . . . . ?
C104 C99 C100 C101 2(2) . . . . ?
N15 C99 C100 C101 179.6(14) . . . . ?
C99 C100 C101 C102 4(3) . . . . ?
C100 C101 C102 C103 -9(3) . . . . ?
C101 C102 C103 C104 8(2) . . . . ?
C100 C99 C104 C103 -4(2) . . . . ?
N15 C99 C104 C103 178.8(13) . . . . ?
C100 C99 C104 N16 171.5(12) . . . . ?
N15 C99 C104 N16 -5.8(18) . . . . ?
C102 C103 C104 C99 -1(2) . . . . ?
C102 C103 C104 N16 -176.4(13) . . . . ?
C105 N16 C104 C99 122.1(13) . . . . ?
Pd8 N16 C104 C99 -6.4(14) . . . . ?
C105 N16 C104 C103 -62.3(16) . . . . ?
Pd8 N16 C104 C103 169.1(11) . . . . ?
C104 N16 C105 C106 -76.1(15) . . . . ?
Pd8 N16 C105 C106 47.9(14) . . . . ?
N16 C105 C106 C107 -92.7(15) . . . . ?
N16 C105 C106 C108 87.4(16) . . . . ?
C108 C106 C107 C109 1.9(19) . . . . ?
C105 C106 C107 C109 -178.0(12) . . . . ?
C107 C106 C108 C110 -1(2) . . . . ?
C105 C106 C108 C110 178.5(13) . . . . ?
C106 C107 C109 C111 0(2) . . . . ?
C106 C108 C110 C111 -1(2) . . . . ?
C107 C109 C111 C110 -3(2) . . . . ?
C107 C109 C111 C112 -179.8(12) . . . . ?
C108 C110 C111 C109 3(2) . . . . ?
C108 C110 C111 C112 -179.8(13) . . . . ?
C109 C111 C112 N17 -84.4(17) . . . . ?
C110 C111 C112 N17 98.7(16) . . . . ?
C113 N17 C112 C111 -77.4(14) . . . . ?
Pd9 N17 C112 C111 162.9(11) . . . . ?
C112 N17 C113 C118 -105.3(12) . . . . ?
Pd9 N17 C113 C118 14.2(11) . . . . ?
C112 N17 C113 C114 76.0(13) . . . . ?
Pd9 N17 C113 C114 -164.4(9) . . . . ?
C118 C113 C114 C115 3(2) . . . . ?
N17 C113 C114 C115 -178.8(11) . . . . ?
C113 C114 C115 C116 -3(2) . . . . ?
C114 C115 C116 C117 3(2) . . . . ?
C115 C116 C117 C118 -2(2) . . . . ?
C114 C113 C118 C117 -2(2) . . . . ?
N17 C113 C118 C117 179.4(10) . . . . ?
C114 C113 C118 N18 173.9(12) . . . . ?
N17 C113 C118 N18 -4.5(15) . . . . ?
C116 C117 C118 C113 2(2) . . . . ?
C116 C117 C118 N18 -174.5(13) . . . . ?
C119 N18 C118 C113 126.8(13) . . . . ?
Pd9 N18 C118 C113 -8.1(14) . . . . ?
C119 N18 C118 C117 -57.5(16) . . . . ?
Pd9 N18 C118 C117 167.6(10) . . . . ?
C118 N18 C119 C120 -76.4(16) . . . . ?
Pd9 N18 C119 C120 53.6(16) . . . . ?
N18 C119 C120 C122 79.8(18) . . . . ?
N18 C119 C120 C121 -98.7(14) . . . . ?
C122 C120 C121 C123 2.9(18) . . . . ?
C119 C120 C121 C123 -178.6(11) . . . . ?
C121 C120 C122 C124 1.2(19) . . . . ?
C119 C120 C122 C124 -177.2(12) . . . . ?
C120 C121 C123 C125 -4.6(18) . . . . ?
C120 C122 C124 C125 -3.5(19) . . . . ?
C121 C123 C125 C124 2.3(19) . . . . ?
C121 C123 C125 C126 -179.4(11) . . . . ?
C122 C124 C125 C123 1.7(19) . . . . ?
C122 C124 C125 C126 -176.5(11) . . . . ?
C123 C125 C126 N13 -84.7(15) . . . . ?
C124 C125 C126 N13 93.6(14) . . . . ?
C85 N13 C126 C125 -67.4(14) . . . . ?
Pd7 N13 C126 C125 171.2(9) . . . . ?
N24 Pd12 N23 C155 -17.7(17) . . . . ?
Cl23 Pd12 N23 C155 160.7(16) . . . . ?
N24 Pd12 N23 C154 121.3(19) . . . . ?
Cl23 Pd12 N23 C154 -60.3(18) . . . . ?
C168 N19 C127 C128 62(2) . . . . ?
Pd10 N19 C127 C128 -166.5(14) . . . . ?
C168 N19 C127 C132 -121.2(14) . . . . ?
Pd10 N19 C127 C132 10.0(17) . . . . ?
C132 C127 C128 C129 -5(3) . . . . ?
N19 C127 C128 C129 171.3(16) . . . . ?
C127 C128 C129 C130 5(3) . . . . ?
C128 C129 C130 C131 -2(3) . . . . ?
C129 C130 C131 C132 0(2) . . . . ?
C128 C127 C132 N20 -179.0(15) . . . . ?
N19 C127 C132 N20 4(2) . . . . ?
C128 C127 C132 C131 3(2) . . . . ?
N19 C127 C132 C131 -173.8(13) . . . . ?
C133 N20 C132 C127 105.3(15) . . . . ?
Pd10 N20 C132 C127 -16.4(17) . . . . ?
C133 N20 C132 C131 -76.4(17) . . . . ?
Pd10 N20 C132 C131 161.8(12) . . . . ?
C130 C131 C132 C127 0(2) . . . . ?
C130 C131 C132 N20 -178.6(14) . . . . ?
C132 N20 C133 C134 62.6(15) . . . . ?
Pd10 N20 C133 C134 -175.1(9) . . . . ?
N20 C133 C134 C135 80.8(17) . . . . ?
N20 C133 C134 C136 -100.4(16) . . . . ?
C136 C134 C135 C137 2(3) . . . . ?
C133 C134 C135 C137 -178.8(14) . . . . ?
C135 C134 C136 C138 -1(2) . . . . ?
C133 C134 C136 C138 -179.5(13) . . . . ?
C134 C135 C137 C139 -2(3) . . . . ?
C134 C136 C138 C139 -1(2) . . . . ?
C136 C138 C139 C137 1(2) . . . . ?
C136 C138 C139 C140 -176.7(13) . . . . ?
C135 C137 C139 C138 1(2) . . . . ?
C135 C137 C139 C140 178.0(15) . . . . ?
C141 N21 C140 C139 -55(2) . . . . ?
Pd11 N21 C140 C139 78.4(15) . . . . ?
C138 C139 C140 N21 -100.6(16) . . . . ?
C137 C139 C140 N21 82.3(19) . . . . ?
C140 N21 C141 C146 119.1(17) . . . . ?
Pd11 N21 C141 C146 -16.6(19) . . . . ?
C140 N21 C141 C142 -61(2) . . . . ?
Pd11 N21 C141 C142 163.5(14) . . . . ?
C146 C141 C142 C143 -3(3) . . . . ?
N21 C141 C142 C143 176.8(16) . . . . ?
C141 C142 C143 C144 4(3) . . . . ?
C142 C143 C144 C145 -4(3) . . . . ?
C143 C144 C145 C146 3(3) . . . . ?
C147 N22 C146 C141 -107(2) . . . . ?
Pd11 N22 C146 C141 18(2) . . . . ?
C147 N22 C146 C145 69(2) . . . . ?
Pd11 N22 C146 C145 -166.0(14) . . . . ?
N21 C141 C146 N22 -2(3) . . . . ?
C142 C141 C146 N22 178.0(17) . . . . ?
N21 C141 C146 C145 -178.0(15) . . . . ?
C142 C141 C146 C145 2(3) . . . . ?
C144 C145 C146 N22 -178.0(17) . . . . ?
C144 C145 C146 C141 -2(3) . . . . ?
C146 N22 C147 C148 -165(2) . . . . ?
Pd11 N22 C147 C148 70(2) . . . . ?
N22 C147 C148 C149 64(3) . . . . ?
N22 C147 C148 C150 -106(3) . . . . ?
C147 C148 C149 C151 -175.7(14) . . . . ?
C150 C148 C149 C151 -5(2) . . . . ?
C147 C148 C150 C152 177.4(16) . . . . ?
C149 C148 C150 C152 6(2) . . . . ?
C148 C149 C151 C153 2(2) . . . . ?
C148 C150 C152 C153 -4(3) . . . . ?
C149 C151 C153 C152 0(3) . . . . ?
C149 C151 C153 C154 -178.8(12) . . . . ?
C150 C152 C153 C151 1(3) . . . . ?
C150 C152 C153 C154 179.7(14) . . . . ?
C155 N23 C154 C153 95(2) . . . . ?
Pd12 N23 C154 C153 -49(3) . . . . ?
C151 C153 C154 N23 86(2) . . . . ?
C152 C153 C154 N23 -93(2) . . . . ?
C154 N23 C155 C156 59(3) . . . . ?
Pd12 N23 C155 C156 -156.2(19) . . . . ?
C154 N23 C155 C160 -133.1(19) . . . . ?
Pd12 N23 C155 C160 11(2) . . . . ?
C160 C155 C156 C157 3(3) . . . . ?
N23 C155 C156 C157 169(3) . . . . ?
C155 C156 C157 C158 -4(3) . . . . ?
C156 C157 C158 C159 3(3) . . . . ?
C157 C158 C159 C160 -1(3) . . . . ?
C156 C155 C160 C159 -1(3) . . . . ?
N23 C155 C160 C159 -170(2) . . . . ?
C156 C155 C160 N24 175(2) . . . . ?
N23 C155 C160 N24 6(3) . . . . ?
C158 C159 C160 C155 0(3) . . . . ?
C158 C159 C160 N24 -176(2) . . . . ?
C161 N24 C160 C155 94(2) . . . . ?
Pd12 N24 C160 C155 -17(2) . . . . ?
C161 N24 C160 C159 -91(2) . . . . ?
Pd12 N24 C160 C159 158.4(15) . . . . ?
C160 N24 C161 C162 68(3) . . . . ?
Pd12 N24 C161 C162 176(2) . . . . ?
N24 C161 C162 C163 72(3) . . . . ?
N24 C161 C162 C164 -97(3) . . . . ?
C164 C162 C163 C165 -9(4) . . . . ?
C161 C162 C163 C165 -178.6(19) . . . . ?
C163 C162 C164 C166 7(3) . . . . ?
C161 C162 C164 C166 176.5(16) . . . . ?
C162 C163 C165 C167 6(3) . . . . ?
C162 C164 C166 C167 -1(3) . . . . ?
C164 C166 C167 C165 -2(3) . . . . ?
C164 C166 C167 C168 -179.5(14) . . . . ?
C163 C165 C167 C166 0(3) . . . . ?
C163 C165 C167 C168 177.7(16) . . . . ?
C127 N19 C168 C167 77.6(17) . . . . ?
Pd10 N19 C168 C167 -49.7(16) . . . . ?
C166 C167 C168 N19 -93.9(18) . . . . ?
C165 C167 C168 N19 88.3(19) . . . . ?
C6R C1R C2R C3R -1(4) . . . . ?
C7R C1R C2R C3R 177(3) . . . . ?
C1R C2R C3R C4R 6(5) . . . . ?
C1R C2R C3R Cl1R -177(2) . . . . ?
C2R C3R C4R C5R -8(5) . . . . ?
Cl1R C3R C4R C5R 175(2) . . . . ?
C3R C4R C5R C6R 6(5) . . . . ?
C4R C5R C6R C1R -1(5) . . . . ?
C2R C1R C6R C5R -2(4) . . . . ?
C7R C1R C6R C5R -179(3) . . . . ?
C6R C1R C7R O1R 67(4) . . . . ?
C2R C1R C7R O1R -110(3) . . . . ?
C6R C1R C7R C8R -54(4) . . . . ?
C2R C1R C7R C8R 129(3) . . . . ?
C14R C9R C10R C11R 1(3) . . . . ?
C9R C10R C11R C12R -1(3) . . . . ?
C9R C10R C11R C14Q -179(5) . . . . ?
C10R C11R C12R C13R 0(3) . . . . ?
C14Q C11R C12R C13R 179(4) . . . . ?
C11R C12R C13R C14R 0(3) . . . . ?
C12R C13R C14R C9R 0(3) . . . . ?
C10R C9R C14R C13R -1(3) . . . . ?
C22R C17R C18R C19R 0.3(15) . . . . ?
C23R C17R C18R C19R 179.9(8) . . . . ?
C17R C18R C19R C20R -0.2(15) . . . . ?
C17R C18R C19R Cl3R 179.8(7) . . . . ?
C18R C19R C20R C21R 0.0(15) . . . . ?
Cl3R C19R C20R C21R -179.9(6) . . . . ?
C19R C20R C21R C22R 0.0(12) . . . . ?
C18R C17R C22R C21R -0.3(15) . . . . ?
C23R C17R C22R C21R -179.9(7) . . . . ?
C20R C21R C22R C17R 0.1(12) . . . . ?
C22R C17R C23R O3R 156(6) . . . . ?
C18R C17R C23R O3R -24(6) . . . . ?
C6G C1G C2G O2G 178.9(16) . . . . ?
C7G C1G C2G O2G -7(2) . . . . ?
C6G C1G C2G C3G 0.0 . . . . ?
C7G C1G C2G C3G 174(2) . . . . ?
O2G C2G C3G C4G -178.9(16) . . . . ?
C1G C2G C3G C4G 0.0 . . . . ?
C2G C3G C4G C5G 0.0 . . . . ?
C3G C4G C5G C6G 0.0 . . . . ?
C4G C5G C6G C1G 0.0 . . . . ?
C2G C1G C6G C5G 0.0 . . . . ?
C7G C1G C6G C5G -174(2) . . . . ?
C2G C1G C7G O1G 11(4) . . . . ?
C6G C1G C7G O1G -175(3) . . . . ?
C2G C1G C7G C8G 178.7(19) . . . . ?
C6G C1G C7G C8G -7(3) . . . . ?
