#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:01:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180165 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/61/7106126.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_7106126
_publ_author_name                'Beatrice Braun Irmgard Kalf Ulli Englert'
_publ_section_title
;
 One of the most complex “small molecule structures” ever
 reported: 16 independent molecules in the asymmetric unit for an
 ortho-palladated primary amine
;
_journal_name_full               Chem.Commun.
_journal_page_first              3846
_journal_paper_doi               10.1039/c0cc05208f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C14 H17 Cl N2 O Pd'
_chemical_formula_sum            'C14 H17 Cl N2 O Pd'
_chemical_formula_weight         371.15
_chemical_name_systematic
;
?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.193(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            32
_cell_length_a                   19.2521(11)
_cell_length_b                   35.962(2)
_cell_length_c                   18.2585(10)
_cell_measurement_reflns_used    9173
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.93
_cell_measurement_theta_min      2.19
_cell_volume                     11938.5(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'Incoatec microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1039
_diffrn_reflns_av_sigmaI/netI    0.1095
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            173251
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             5952
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.171
_refine_diff_density_min         -1.053
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.29(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2769
_refine_ls_number_reflns         46704
_refine_ls_number_restraints     7237
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1498
_refine_ls_wR_factor_ref         0.1626
_reflns_number_gt                29574
_reflns_number_total             46704
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc05208f.txt
_cod_data_source_block           compound1
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               7106126
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.53068(4) 0.216723(19) 0.82908(4) 0.03110(17) Uani 1 1 d U . .
Cl1 Cl 0.62345(11) 0.26529(6) 0.86639(12) 0.0328(5) Uani 1 1 d U . .
O1 O 0.4032(3) 0.08321(15) 0.7982(4) 0.0506(18) Uani 1 1 d DU . .
N11 N 0.4446(3) 0.25271(18) 0.8110(3) 0.0331(17) Uani 1 1 d DU . .
H11A H 0.4323 0.2547 0.8555 0.040 Uiso 1 1 calc R . .
H11B H 0.4580 0.2759 0.7991 0.040 Uiso 1 1 calc R . .
N12 N 0.6075(3) 0.17662(17) 0.8362(3) 0.0285(16) Uani 1 1 d DU . .
C100 C 0.3807(4) 0.2390(2) 0.7467(4) 0.040(2) Uani 1 1 d DU . .
H100 H 0.3339 0.2502 0.7491 0.048 Uiso 1 1 calc R . .
C101 C 0.3913(5) 0.2475(3) 0.6707(4) 0.067(3) Uani 1 1 d DU . .
H10A H 0.4432 0.2441 0.6757 0.101 Uiso 1 1 calc R . .
H10B H 0.3767 0.2733 0.6559 0.101 Uiso 1 1 calc R . .
H10C H 0.3610 0.2306 0.6308 0.101 Uiso 1 1 calc R . .
C102 C 0.3810(4) 0.19707(19) 0.7578(5) 0.037(2) Uani 1 1 d DU . .
C103 C 0.4484(4) 0.18093(19) 0.7972(5) 0.037(2) Uani 1 1 d DU . .
C104 C 0.4526(4) 0.14224(19) 0.8085(5) 0.037(2) Uani 1 1 d DU . .
H104 H 0.4985 0.1308 0.8349 0.044 Uiso 1 1 calc R . .
C105 C 0.3897(4) 0.12085(19) 0.7810(5) 0.042(2) Uani 1 1 d DU . .
C106 C 0.3240(4) 0.1374(2) 0.7436(5) 0.048(2) Uani 1 1 d DU . .
H106 H 0.2810 0.1224 0.7255 0.058 Uiso 1 1 calc R . .
C107 C 0.3184(4) 0.1753(2) 0.7314(5) 0.044(2) Uani 1 1 d DU . .
H107 H 0.2720 0.1863 0.7051 0.053 Uiso 1 1 calc R . .
C108 C 0.3453(5) 0.0591(3) 0.7553(6) 0.072(3) Uani 1 1 d DU . .
H10D H 0.3012 0.0642 0.7692 0.108 Uiso 1 1 calc R . .
H10E H 0.3604 0.0332 0.7676 0.108 Uiso 1 1 calc R . .
H10F H 0.3346 0.0635 0.6997 0.108 Uiso 1 1 calc R . .
C109 C 0.6636(4) 0.1702(2) 0.9013(4) 0.034(2) Uani 1 1 d DU . .
H109 H 0.6671 0.1837 0.9471 0.041 Uiso 1 1 calc R . .
C110 C 0.7176(4) 0.1435(2) 0.9026(5) 0.047(2) Uani 1 1 d DU . .
H110 H 0.7569 0.1390 0.9493 0.056 Uiso 1 1 calc R . .
C111 C 0.7138(5) 0.1244(3) 0.8383(5) 0.056(3) Uani 1 1 d DU . .
H111 H 0.7516 0.1073 0.8390 0.067 Uiso 1 1 calc R . .
C112 C 0.6553(4) 0.1296(2) 0.7713(5) 0.054(3) Uani 1 1 d DU . .
H112 H 0.6495 0.1151 0.7262 0.064 Uiso 1 1 calc R . .
C113 C 0.6053(4) 0.1569(2) 0.7728(4) 0.039(2) Uani 1 1 d DU . .
H113 H 0.5668 0.1621 0.7258 0.047 Uiso 1 1 calc R . .
Pd2 Pd 0.62376(4) 0.11157(2) 0.45429(4) 0.03870(18) Uani 1 1 d U . .
Cl2 Cl 0.64381(14) 0.15812(7) 0.55473(12) 0.0495(7) Uani 1 1 d U . .
O2 O 0.5873(3) -0.01970(15) 0.2934(3) 0.0491(16) Uani 1 1 d DU . .
N21 N 0.5832(4) 0.14907(19) 0.3685(4) 0.0472(19) Uani 1 1 d DU . .
H21A H 0.5327 0.1499 0.3542 0.057 Uiso 1 1 calc R . .
H21B H 0.6014 0.1724 0.3850 0.057 Uiso 1 1 calc R . .
N22 N 0.6704(3) 0.07240(18) 0.5366(3) 0.0342(16) Uani 1 1 d DU . .
C120 C 0.6061(6) 0.1372(2) 0.3017(4) 0.065(3) Uani 1 1 d DU . .
H120 H 0.6606 0.1407 0.3183 0.078 Uiso 1 1 calc R . .
C121 C 0.5757(7) 0.1580(3) 0.2306(5) 0.099(4) Uani 1 1 d DU . .
H12C H 0.5641 0.1410 0.1862 0.149 Uiso 1 1 calc R . .
H12D H 0.6117 0.1764 0.2264 0.149 Uiso 1 1 calc R . .
H12E H 0.5308 0.1707 0.2308 0.149 Uiso 1 1 calc RD . .
C122 C 0.5930(5) 0.09542(19) 0.2949(4) 0.048(2) Uani 1 1 d DU . .
C123 C 0.6052(4) 0.07754(19) 0.3665(4) 0.0337(18) Uani 1 1 d DU . .
C124 C 0.6024(4) 0.03806(19) 0.3664(4) 0.037(2) Uani 1 1 d DU . .
H124 H 0.6096 0.0250 0.4136 0.044 Uiso 1 1 calc R . .
C125 C 0.5889(4) 0.01828(18) 0.2969(4) 0.0326(18) Uani 1 1 d DU . .
C126 C 0.5780(5) 0.0362(2) 0.2288(4) 0.043(2) Uani 1 1 d DU . .
H126 H 0.5682 0.0226 0.1819 0.052 Uiso 1 1 calc R . .
C127 C 0.5813(5) 0.0747(2) 0.2283(4) 0.049(2) Uani 1 1 d DU . .
H127 H 0.5754 0.0871 0.1808 0.059 Uiso 1 1 calc R . .
C128 C 0.5859(5) -0.0400(2) 0.3601(4) 0.052(3) Uani 1 1 d DU . .
H12F H 0.6277 -0.0326 0.4051 0.079 Uiso 1 1 calc R . .
H12G H 0.5890 -0.0667 0.3507 0.079 Uiso 1 1 calc R . .
H12H H 0.5399 -0.0348 0.3701 0.079 Uiso 1 1 calc R . .
C129 C 0.7367(4) 0.0586(2) 0.5478(4) 0.038(2) Uani 1 1 d DU . .
H129 H 0.7600 0.0646 0.5108 0.045 Uiso 1 1 calc R . .
C130 C 0.7747(4) 0.0362(2) 0.6096(4) 0.044(2) Uani 1 1 d DU . .
H130 H 0.8217 0.0263 0.6143 0.052 Uiso 1 1 calc R . .
C131 C 0.7411(4) 0.0290(2) 0.6638(5) 0.045(2) Uani 1 1 d DU . .
H131 H 0.7670 0.0155 0.7093 0.054 Uiso 1 1 calc R . .
C132 C 0.6714(4) 0.0410(2) 0.6535(4) 0.044(2) Uani 1 1 d DU . .
H132 H 0.6466 0.0343 0.6888 0.053 Uiso 1 1 calc R . .
C133 C 0.6383(4) 0.0630(2) 0.5901(4) 0.039(2) Uani 1 1 d DU . .
H133 H 0.5903 0.0721 0.5832 0.047 Uiso 1 1 calc R . .
Pd3 Pd 0.49082(4) 0.218408(19) 0.01003(4) 0.03262(18) Uani 1 1 d U . .
Cl3 Cl 0.39824(12) 0.26684(6) -0.02643(13) 0.0364(6) Uani 1 1 d U . .
O3 O 0.6210(3) 0.08461(15) 0.0425(3) 0.0484(18) Uani 1 1 d DU . .
N31 N 0.5759(3) 0.25374(18) 0.0250(4) 0.0335(18) Uani 1 1 d DU . .
H31A H 0.5886 0.2545 -0.0194 0.040 Uiso 1 1 calc R . .
H31B H 0.5625 0.2773 0.0346 0.040 Uiso 1 1 calc R . .
N32 N 0.4122(3) 0.17894(17) 0.0054(4) 0.0348(17) Uani 1 1 d DU . .
C140 C 0.6402(4) 0.24082(19) 0.0917(3) 0.0298(19) Uani 1 1 d DU . .
H140 H 0.6866 0.2519 0.0884 0.036 Uiso 1 1 calc R . .
C141 C 0.6296(5) 0.2517(2) 0.1670(4) 0.043(2) Uani 1 1 d DU . .
H14A H 0.5862 0.2390 0.1717 0.064 Uiso 1 1 calc R . .
H14B H 0.6225 0.2787 0.1679 0.064 Uiso 1 1 calc R . .
H14C H 0.6731 0.2446 0.2104 0.064 Uiso 1 1 calc R . .
C142 C 0.6412(4) 0.19850(18) 0.0818(4) 0.034(2) Uani 1 1 d DU . .
C143 C 0.5728(4) 0.18253(19) 0.0427(4) 0.0288(17) Uani 1 1 d DU . .
C144 C 0.5690(4) 0.14396(19) 0.0271(5) 0.035(2) Uani 1 1 d DU . .
H144 H 0.5240 0.1328 -0.0033 0.043 Uiso 1 1 calc R . .
C145 C 0.6325(4) 0.12262(19) 0.0570(5) 0.040(2) Uani 1 1 d DU . .
C146 C 0.6993(4) 0.1377(2) 0.0975(5) 0.043(2) Uani 1 1 d DU . .
H146 H 0.7414 0.1224 0.1183 0.051 Uiso 1 1 calc R . .
C147 C 0.7042(4) 0.1764(2) 0.1076(5) 0.042(2) Uani 1 1 d DU . .
H147 H 0.7507 0.1876 0.1321 0.051 Uiso 1 1 calc R . .
C148 C 0.6817(5) 0.0605(3) 0.0756(6) 0.059(3) Uani 1 1 d DU . .
H14D H 0.7185 0.0644 0.0499 0.088 Uiso 1 1 calc R . .
H14E H 0.6649 0.0346 0.0686 0.088 Uiso 1 1 calc R . .
H14F H 0.7036 0.0659 0.1311 0.088 Uiso 1 1 calc R . .
C149 C 0.4145(5) 0.1606(2) 0.0700(5) 0.056(3) Uani 1 1 d DU . .
H149 H 0.4536 0.1651 0.1168 0.067 Uiso 1 1 calc RD . .
C150 C 0.3607(5) 0.1352(3) 0.0690(5) 0.060(3) Uani 1 1 d DU . .
H150 H 0.3607 0.1241 0.1163 0.072 Uiso 1 1 calc R . .
C151 C 0.3084(5) 0.1260(3) 0.0030(5) 0.061(3) Uani 1 1 d DU . .
H151 H 0.2736 0.1072 0.0022 0.073 Uiso 1 1 calc R . .
C152 C 0.3058(5) 0.1445(3) -0.0647(5) 0.068(3) Uani 1 1 d DU . .
H152 H 0.2684 0.1393 -0.1125 0.082 Uiso 1 1 calc R . .
C153 C 0.3594(4) 0.1704(2) -0.0599(5) 0.045(2) Uani 1 1 d DU . .
H153 H 0.3585 0.1829 -0.1060 0.054 Uiso 1 1 calc R . .
Pd4 Pd 0.00213(4) 0.17077(2) 0.01378(4) 0.0405(2) Uani 1 1 d U . .
Cl4 Cl -0.09360(12) 0.12435(7) -0.02932(13) 0.0425(6) Uani 1 1 d U . .
O4 O 0.1398(4) 0.30090(18) 0.0182(5) 0.094(3) Uani 1 1 d DU . .
N41 N 0.0840(3) 0.13368(19) 0.0249(4) 0.0387(18) Uani 1 1 d DU . .
H41A H 0.0708 0.1110 0.0393 0.046 Uiso 1 1 calc R . .
H41B H 0.0913 0.1308 -0.0221 0.046 Uiso 1 1 calc R . .
N42 N -0.0737(3) 0.2103(2) 0.0159(4) 0.0431(19) Uani 1 1 d DU . .
C160 C 0.1541(4) 0.1465(2) 0.0844(4) 0.047(2) Uani 1 1 d DU . .
H160 H 0.1974 0.1347 0.0748 0.057 Uiso 1 1 calc R . .
C161 C 0.1560(5) 0.1390(3) 0.1649(4) 0.060(3) Uani 1 1 d DU . .
H16A H 0.2034 0.1471 0.2014 0.089 Uiso 1 1 calc R . .
H16B H 0.1497 0.1123 0.1714 0.089 Uiso 1 1 calc R . .
H16C H 0.1162 0.1527 0.1752 0.089 Uiso 1 1 calc R . .
C162 C 0.1545(4) 0.1884(2) 0.0718(5) 0.048(2) Uani 1 1 d DU . .
C163 C 0.0856(4) 0.2052(2) 0.0396(5) 0.042(2) Uani 1 1 d DU . .
C164 C 0.0842(5) 0.2431(2) 0.0202(5) 0.053(2) Uani 1 1 d DU . .
H164 H 0.0384 0.2550 -0.0040 0.064 Uiso 1 1 calc R . .
C165 C 0.1484(4) 0.2631(2) 0.0359(6) 0.060(3) Uani 1 1 d DU . .
C166 C 0.2155(5) 0.2467(2) 0.0649(6) 0.068(3) Uani 1 1 d DU . .
H166 H 0.2593 0.2607 0.0732 0.081 Uiso 1 1 calc R . .
C167 C 0.2183(5) 0.2084(2) 0.0823(6) 0.058(3) Uani 1 1 d DU . .
H167 H 0.2646 0.1963 0.1015 0.070 Uiso 1 1 calc R . .
C168 C 0.2046(6) 0.3232(3) 0.0346(9) 0.121(5) Uani 1 1 d DU . .
H16D H 0.1908 0.3486 0.0164 0.181 Uiso 1 1 calc R . .
H16E H 0.2368 0.3128 0.0079 0.181 Uiso 1 1 calc R . .
H16F H 0.2305 0.3234 0.0906 0.181 Uiso 1 1 calc R . .
C169 C -0.1337(4) 0.2164(2) -0.0461(5) 0.049(2) Uani 1 1 d DU . .
H169 H -0.1379 0.2041 -0.0934 0.058 Uiso 1 1 calc R . .
C170 C -0.1905(5) 0.2403(3) -0.0432(5) 0.056(3) Uani 1 1 d DU . .
H170 H -0.2317 0.2450 -0.0881 0.068 Uiso 1 1 calc R . .
C171 C -0.1844(5) 0.2568(3) 0.0267(5) 0.057(3) Uani 1 1 d DU . .
H171 H -0.2234 0.2715 0.0322 0.068 Uiso 1 1 calc R . .
C172 C -0.1212(4) 0.2517(3) 0.0884(5) 0.055(3) Uani 1 1 d DU . .
H172 H -0.1153 0.2636 0.1365 0.066 Uiso 1 1 calc R . .
C173 C -0.0663(5) 0.2292(3) 0.0803(5) 0.057(3) Uani 1 1 d DU . .
H173 H -0.0216 0.2272 0.1224 0.068 Uiso 1 1 calc R . .
Pd5 Pd 0.01701(4) 0.172602(19) 0.81525(4) 0.03602(18) Uani 1 1 d U . .
Cl5 Cl 0.11767(11) 0.12876(6) 0.86021(12) 0.0409(6) Uani 1 1 d U . .
O5 O -0.1326(4) 0.29835(16) 0.8130(4) 0.065(2) Uani 1 1 d DU . .
N51 N -0.0624(3) 0.13259(17) 0.8026(4) 0.0362(17) Uani 1 1 d DU . .
H51A H -0.0471 0.1104 0.7881 0.043 Uiso 1 1 calc R . .
H51B H -0.0708 0.1290 0.8489 0.043 Uiso 1 1 calc R . .
N52 N 0.0874(4) 0.21443(18) 0.8121(4) 0.0445(19) Uani 1 1 d DU . .
C180 C -0.1316(4) 0.1452(2) 0.7418(4) 0.042(2) Uani 1 1 d DU . .
H180 H -0.1745 0.1316 0.7484 0.050 Uiso 1 1 calc R . .
C181 C -0.1274(5) 0.1374(3) 0.6640(4) 0.061(3) Uani 1 1 d DU . .
H18A H -0.1297 0.1105 0.6552 0.091 Uiso 1 1 calc R . .
H18B H -0.0810 0.1471 0.6606 0.091 Uiso 1 1 calc R . .
H18C H -0.1687 0.1494 0.6247 0.091 Uiso 1 1 calc R . .
C182 C -0.1374(4) 0.18601(18) 0.7585(5) 0.039(2) Uani 1 1 d DU . .
C183 C -0.0698(4) 0.20489(19) 0.7901(5) 0.043(2) Uani 1 1 d DU . .
C184 C -0.0716(4) 0.2425(2) 0.8047(5) 0.044(2) Uani 1 1 d DU . .
H184 H -0.0270 0.2561 0.8240 0.052 Uiso 1 1 calc R . .
C185 C -0.1390(4) 0.2608(2) 0.7911(5) 0.050(2) Uani 1 1 d DU . .
C186 C -0.2037(4) 0.2429(2) 0.7600(5) 0.050(2) Uani 1 1 d DU . .
H186 H -0.2490 0.2556 0.7508 0.060 Uiso 1 1 calc R . .
C187 C -0.2027(4) 0.2057(2) 0.7419(5) 0.049(2) Uani 1 1 d DU . .
H187 H -0.2479 0.1932 0.7173 0.058 Uiso 1 1 calc R . .
C188 C -0.1996(6) 0.3175(3) 0.7941(8) 0.096(4) Uani 1 1 d DU . .
H18D H -0.2314 0.3100 0.7423 0.143 Uiso 1 1 calc R . .
H18E H -0.1904 0.3444 0.7945 0.143 Uiso 1 1 calc R . .
H18F H -0.2238 0.3117 0.8322 0.143 Uiso 1 1 calc R . .
C189 C 0.0737(5) 0.2353(3) 0.7460(5) 0.068(3) Uani 1 1 d DU . .
H189 H 0.0298 0.2312 0.7038 0.082 Uiso 1 1 calc R . .
C190 C 0.1231(5) 0.2624(3) 0.7397(6) 0.084(3) Uani 1 1 d DU . .
H190 H 0.1124 0.2776 0.6948 0.101 Uiso 1 1 calc R . .
C191 C 0.1870(5) 0.2665(3) 0.7994(5) 0.085(3) Uani 1 1 d DU . .
H191 H 0.2211 0.2849 0.7956 0.102 Uiso 1 1 calc R . .
C192 C 0.2042(5) 0.2449(3) 0.8655(5) 0.070(3) Uani 1 1 d DU . .
H192 H 0.2498 0.2474 0.9062 0.084 Uiso 1 1 calc R . .
C193 C 0.1517(4) 0.2194(2) 0.8697(5) 0.051(2) Uani 1 1 d DU . .
H193 H 0.1615 0.2047 0.9152 0.061 Uiso 1 1 calc R . .
Pd6 Pd 0.03770(4) 0.00200(2) 0.32444(4) 0.03236(18) Uani 1 1 d U . .
Cl6 Cl -0.06207(11) -0.04135(6) 0.26948(12) 0.0356(6) Uani 1 1 d U . .
O6 O 0.2002(4) 0.12535(19) 0.4472(5) 0.093(3) Uani 1 1 d DU . .
N61 N 0.1036(3) -0.0372(2) 0.3930(4) 0.0432(19) Uani 1 1 d DU . .
H61A H 0.0906 -0.0402 0.4369 0.052 Uiso 1 1 calc R . .
H61B H 0.0959 -0.0595 0.3670 0.052 Uiso 1 1 calc R . .
N62 N -0.0189(3) 0.04361(18) 0.2602(4) 0.0376(17) Uani 1 1 d DU . .
C200 C 0.1836(4) -0.0276(2) 0.4166(5) 0.057(2) Uani 1 1 d DU . .
H200 H 0.2115 -0.0391 0.4677 0.068 Uiso 1 1 calc R . .
C201 C 0.2143(5) -0.0390(3) 0.3563(5) 0.070(3) Uani 1 1 d DU . .
H20A H 0.2660 -0.0315 0.3715 0.105 Uiso 1 1 calc R . .
H20B H 0.1866 -0.0272 0.3071 0.105 Uiso 1 1 calc R . .
H20C H 0.2108 -0.0661 0.3503 0.105 Uiso 1 1 calc R . .
C202 C 0.1848(4) 0.0145(2) 0.4221(5) 0.052(2) Uani 1 1 d DU . .
C203 C 0.1217(4) 0.0337(2) 0.3782(5) 0.045(2) Uani 1 1 d DU . .
C204 C 0.1236(5) 0.0732(2) 0.3824(5) 0.059(3) Uani 1 1 d DU . .
H204 H 0.0835 0.0883 0.3535 0.071 Uiso 1 1 calc R . .
C205 C 0.1885(5) 0.0879(2) 0.4321(5) 0.067(3) Uani 1 1 d DU . .
C206 C 0.2479(5) 0.0689(2) 0.4754(6) 0.067(3) Uani 1 1 d DU . .
H206 H 0.2899 0.0817 0.5079 0.081 Uiso 1 1 calc R . .
C207 C 0.2470(4) 0.0311(2) 0.4723(5) 0.063(3) Uani 1 1 d DU . .
H207 H 0.2875 0.0167 0.5033 0.076 Uiso 1 1 calc R . .
C208 C 0.1452(5) 0.1449(3) 0.3993(6) 0.066(3) Uani 1 1 d DU . .
H20D H 0.0998 0.1398 0.4108 0.099 Uiso 1 1 calc R . .
H20E H 0.1385 0.1378 0.3456 0.099 Uiso 1 1 calc R . .
H20F H 0.1567 0.1715 0.4063 0.099 Uiso 1 1 calc R . .
C209 C -0.0005(5) 0.0560(2) 0.2002(4) 0.048(2) Uani 1 1 d DU . .
H209 H 0.0386 0.0441 0.1883 0.058 Uiso 1 1 calc R . .
C210 C -0.0362(5) 0.0854(3) 0.1547(5) 0.057(3) Uani 1 1 d DU . .
H210 H -0.0190 0.0946 0.1149 0.069 Uiso 1 1 calc R . .
C211 C -0.0950(4) 0.1013(3) 0.1661(5) 0.051(2) Uani 1 1 d DU . .
H211 H -0.1214 0.1207 0.1334 0.061 Uiso 1 1 calc R . .
C212 C -0.1156(5) 0.0883(2) 0.2274(5) 0.054(3) Uani 1 1 d DU . .
H212 H -0.1550 0.0996 0.2398 0.064 Uiso 1 1 calc R . .
C213 C -0.0782(4) 0.0590(2) 0.2696(5) 0.045(2) Uani 1 1 d DU . .
H213 H -0.0956 0.0490 0.3084 0.054 Uiso 1 1 calc R . .
Pd7 Pd 0.99611(4) 0.00224(2) 0.51405(4) 0.03177(18) Uani 1 1 d U . .
Cl7 Cl 1.09326(12) -0.04288(6) 0.56772(12) 0.0373(6) Uani 1 1 d U . .
O7 O 0.8754(4) 0.13765(16) 0.4368(4) 0.068(2) Uani 1 1 d DU . .
N71 N 0.9243(3) -0.03455(19) 0.4436(4) 0.0365(18) Uani 1 1 d DU . .
H71A H 0.9371 -0.0387 0.3999 0.044 Uiso 1 1 calc R . .
H71B H 0.9270 -0.0568 0.4690 0.044 Uiso 1 1 calc R . .
N72 N 1.0571(3) 0.04276(19) 0.5839(3) 0.0334(17) Uani 1 1 d DU . .
C220 C 0.8461(4) -0.0198(2) 0.4200(5) 0.053(2) Uani 1 1 d DU . .
H220 H 0.8194 -0.0285 0.3661 0.064 Uiso 1 1 calc R . .
C221 C 0.8103(5) -0.0360(3) 0.4717(6) 0.088(3) Uani 1 1 d DU . .
H22A H 0.8360 -0.0280 0.5251 0.132 Uiso 1 1 calc R . .
H22B H 0.8117 -0.0632 0.4687 0.132 Uiso 1 1 calc R . .
H22C H 0.7590 -0.0276 0.4560 0.132 Uiso 1 1 calc R . .
C222 C 0.8505(4) 0.0216(2) 0.4186(5) 0.043(2) Uani 1 1 d DU . .
C223 C 0.9163(4) 0.0374(2) 0.4634(4) 0.0356(19) Uani 1 1 d DU . .
C224 C 0.9211(4) 0.0763(2) 0.4664(5) 0.044(2) Uani 1 1 d DU . .
H224 H 0.9666 0.0873 0.4955 0.053 Uiso 1 1 calc R . .
C225 C 0.8620(4) 0.0998(2) 0.4284(5) 0.047(2) Uani 1 1 d DU . .
C226 C 0.7999(4) 0.0842(2) 0.3820(4) 0.039(2) Uani 1 1 d DU . .
H226 H 0.7609 0.0997 0.3521 0.047 Uiso 1 1 calc R . .
C227 C 0.7912(4) 0.0451(2) 0.3768(5) 0.046(2) Uani 1 1 d DU . .
H227 H 0.7460 0.0346 0.3454 0.056 Uiso 1 1 calc R . .
C228 C 0.8155(5) 0.1620(2) 0.4063(6) 0.062(3) Uani 1 1 d DU . .
H22D H 0.8331 0.1877 0.4128 0.094 Uiso 1 1 calc R . .
H22E H 0.7800 0.1584 0.4338 0.094 Uiso 1 1 calc R . .
H22F H 0.7916 0.1567 0.3510 0.094 Uiso 1 1 calc R . .
C229 C 1.1137(4) 0.0587(2) 0.5681(5) 0.045(2) Uani 1 1 d DU . .
H229 H 1.1292 0.0488 0.5277 0.053 Uiso 1 1 calc R . .
C230 C 1.1507(5) 0.0899(3) 0.6101(5) 0.053(3) Uani 1 1 d DU . .
H230 H 1.1923 0.1003 0.6007 0.064 Uiso 1 1 calc R . .
C231 C 1.1242(4) 0.1045(3) 0.6653(5) 0.056(3) Uani 1 1 d DU . .
H231 H 1.1439 0.1270 0.6908 0.067 Uiso 1 1 calc R . .
C232 C 1.0689(4) 0.0864(2) 0.6838(5) 0.045(2) Uani 1 1 d DU . .
H232 H 1.0553 0.0947 0.7266 0.053 Uiso 1 1 calc R . .
C233 C 1.0338(5) 0.0569(2) 0.6408(5) 0.044(2) Uani 1 1 d DU . .
H233 H 0.9927 0.0461 0.6506 0.052 Uiso 1 1 calc R . .
Pd8 Pd 0.01415(6) 0.33518(3) 0.51478(6) 0.0722(3) Uani 1 1 d U . .
Cl8 Cl -0.0660(2) 0.38821(9) 0.4780(2) 0.1008(12) Uani 1 1 d U . .
O8 O 0.1049(4) 0.19161(18) 0.5481(5) 0.086(3) Uani 1 1 d DU . .
N81 N 0.1027(4) 0.3641(2) 0.5068(6) 0.109(4) Uani 1 1 d DU . .
H81A H 0.1009 0.3654 0.4559 0.131 Uiso 1 1 calc R . .
H81B H 0.1022 0.3879 0.5249 0.131 Uiso 1 1 calc R . .
N82 N -0.0680(4) 0.3031(2) 0.5269(4) 0.058(2) Uani 1 1 d DU . .
C240 C 0.1718(5) 0.3444(2) 0.5546(5) 0.081(3) Uani 1 1 d DU . .
H240 H 0.2088 0.3481 0.5276 0.098 Uiso 1 1 calc R . .
C241 C 0.2041(6) 0.3599(3) 0.6333(5) 0.091(4) Uani 1 1 d DU . .
H24A H 0.1649 0.3694 0.6513 0.136 Uiso 1 1 calc R . .
H24B H 0.2379 0.3801 0.6325 0.136 Uiso 1 1 calc R . .
H24C H 0.2312 0.3403 0.6686 0.136 Uiso 1 1 calc R . .
C242 C 0.1555(4) 0.3038(2) 0.5519(6) 0.069(3) Uani 1 1 d DU . .
C243 C 0.0825(4) 0.2932(2) 0.5371(5) 0.052(2) Uani 1 1 d DU . .
C244 C 0.0640(5) 0.2557(2) 0.5336(5) 0.052(2) Uani 1 1 d DU . .
H244 H 0.0141 0.2484 0.5209 0.063 Uiso 1 1 calc R . .
C245 C 0.1191(5) 0.2292(2) 0.5487(6) 0.071(3) Uani 1 1 d DU . .
C246 C 0.1896(5) 0.2396(3) 0.5598(7) 0.079(3) Uani 1 1 d DU . .
H246 H 0.2260 0.2211 0.5644 0.095 Uiso 1 1 calc R . .
C247 C 0.2092(5) 0.2763(2) 0.5645(7) 0.079(3) Uani 1 1 d DU . .
H247 H 0.2594 0.2831 0.5763 0.095 Uiso 1 1 calc R . .
C248 C 0.0321(6) 0.1809(4) 0.5393(9) 0.117(5) Uani 1 1 d DU . .
H24D H 0.0175 0.1917 0.5814 0.175 Uiso 1 1 calc R . .
H24E H 0.0291 0.1538 0.5411 0.175 Uiso 1 1 calc R . .
H24F H -0.0010 0.1899 0.4894 0.175 Uiso 1 1 calc R . .
C249 C -0.0763(6) 0.2981(4) 0.5955(6) 0.104(4) Uani 1 1 d DU . .
H249 H -0.0416 0.3090 0.6399 0.125 Uiso 1 1 calc R . .
C250 C -0.1346(6) 0.2772(4) 0.6052(6) 0.110(4) Uani 1 1 d DU . .
H250 H -0.1411 0.2753 0.6545 0.132 Uiso 1 1 calc R . .
C251 C -0.1809(6) 0.2599(3) 0.5429(6) 0.101(4) Uani 1 1 d DU . .
H251 H -0.2171 0.2433 0.5490 0.122 Uiso 1 1 calc R . .
C252 C -0.1761(5) 0.2661(3) 0.4698(6) 0.076(3) Uani 1 1 d DU . .
H252 H -0.2117 0.2564 0.4245 0.091 Uiso 1 1 calc R . .
C253 C -0.1169(5) 0.2871(3) 0.4654(6) 0.074(3) Uani 1 1 d DU . .
H253 H -0.1109 0.2901 0.4162 0.088 Uiso 1 1 calc R . .
Pd9 Pd 1.02937(5) 0.33258(2) 0.29980(6) 0.0588(3) Uani 1 1 d U . .
Cl9 Cl 1.11643(17) 0.38300(9) 0.3179(2) 0.1017(13) Uani 1 1 d U . .
O9 O 0.9071(4) 0.19404(18) 0.3003(5) 0.090(3) Uani 1 1 d DU . .
N91 N 0.9459(4) 0.3664(2) 0.3027(5) 0.073(3) Uani 1 1 d DU . .
H91A H 0.9505 0.3712 0.3535 0.087 Uiso 1 1 calc R . .
H91B H 0.9498 0.3886 0.2794 0.087 Uiso 1 1 calc R . .
N92 N 1.1085(4) 0.2950(2) 0.2967(4) 0.057(2) Uani 1 1 d DU . .
C260 C 0.8721(5) 0.3503(2) 0.2631(4) 0.065(3) Uani 1 1 d DU . .
H260 H 0.8367 0.3589 0.2891 0.078 Uiso 1 1 calc R . .
C261 C 0.8457(6) 0.3613(3) 0.1810(5) 0.085(4) Uani 1 1 d DU . .
H26A H 0.8075 0.3439 0.1515 0.128 Uiso 1 1 calc R . .
H26B H 0.8868 0.3609 0.1604 0.128 Uiso 1 1 calc R . .
H26C H 0.8251 0.3865 0.1762 0.128 Uiso 1 1 calc R . .
C262 C 0.8819(4) 0.3086(2) 0.2717(6) 0.058(3) Uani 1 1 d DU . .
C263 C 0.9526(4) 0.2943(2) 0.2873(6) 0.050(2) Uani 1 1 d DU . .
C264 C 0.9637(5) 0.2557(2) 0.2980(6) 0.056(3) Uani 1 1 d DU . .
H264 H 1.0118 0.2455 0.3108 0.067 Uiso 1 1 calc R . .
C265 C 0.9031(5) 0.2324(2) 0.2894(7) 0.069(3) Uani 1 1 d DU . .
C266 C 0.8336(5) 0.2471(2) 0.2702(6) 0.068(3) Uani 1 1 d DU . .
H266 H 0.7927 0.2310 0.2619 0.082 Uiso 1 1 calc R . .
C267 C 0.8223(5) 0.2847(2) 0.2630(6) 0.069(3) Uani 1 1 d DU . .
H267 H 0.7741 0.2946 0.2520 0.083 Uiso 1 1 calc R . .
C268 C 0.9778(6) 0.1787(3) 0.3175(8) 0.096(4) Uani 1 1 d DU . .
H26D H 1.0121 0.1921 0.3615 0.143 Uiso 1 1 calc R . .
H26E H 0.9941 0.1811 0.2722 0.143 Uiso 1 1 calc R . .
H26F H 0.9766 0.1524 0.3309 0.143 Uiso 1 1 calc R . .
C269 C 1.1089(5) 0.2771(3) 0.2335(5) 0.064(3) Uani 1 1 d DU . .
H269 H 1.0704 0.2818 0.1862 0.077 Uiso 1 1 calc R . .
C270 C 1.1635(5) 0.2516(3) 0.2337(5) 0.079(3) Uani 1 1 d DU . .
H270 H 1.1631 0.2402 0.1866 0.095 Uiso 1 1 calc R . .
C271 C 1.2164(5) 0.2430(3) 0.2999(5) 0.061(3) Uani 1 1 d DU . .
H271 H 1.2525 0.2248 0.3010 0.073 Uiso 1 1 calc R . .
C272 C 1.2176(5) 0.2615(3) 0.3673(5) 0.062(3) Uani 1 1 d DU . .
H272 H 1.2543 0.2562 0.4155 0.074 Uiso 1 1 calc R . .
C273 C 1.1640(5) 0.2875(3) 0.3618(5) 0.063(3) Uani 1 1 d DU . .
H273 H 1.1664 0.3011 0.4072 0.075 Uiso 1 1 calc R . .
Pd10 Pd 0.41545(4) 0.11414(2) 0.39570(4) 0.03794(18) Uani 1 1 d U . .
Cl10 Cl 0.39449(14) 0.16029(7) 0.29460(12) 0.0524(7) Uani 1 1 d U . .
O10 O 0.4441(3) -0.01778(15) 0.5540(3) 0.0442(15) Uani 1 1 d DU . .
N101 N 0.4593(4) 0.15220(19) 0.4816(3) 0.0458(19) Uani 1 1 d DU . .
H10G H 0.5089 0.1544 0.4899 0.055 Uiso 1 1 calc R . .
H10H H 0.4379 0.1750 0.4659 0.055 Uiso 1 1 calc R . .
N102 N 0.3703(3) 0.07575(18) 0.3127(3) 0.0327(16) Uani 1 1 d DU . .
C280 C 0.4473(4) 0.1411(2) 0.5575(4) 0.048(2) Uani 1 1 d DU . .
H280 H 0.4896 0.1501 0.6024 0.057 Uiso 1 1 calc R . .
C281 C 0.3769(4) 0.1567(3) 0.5628(6) 0.066(3) Uani 1 1 d DU . .
H28A H 0.3365 0.1508 0.5153 0.099 Uiso 1 1 calc R . .
H28B H 0.3813 0.1837 0.5692 0.099 Uiso 1 1 calc R . .
H28C H 0.3668 0.1457 0.6075 0.099 Uiso 1 1 calc R . .
C282 C 0.4467(5) 0.09856(19) 0.5568(4) 0.048(2) Uani 1 1 d DU . .
C283 C 0.4347(5) 0.07961(19) 0.4857(4) 0.040(2) Uani 1 1 d DU . .
C284 C 0.4349(4) 0.0410(2) 0.4822(4) 0.0344(18) Uani 1 1 d DU . .
H284 H 0.4275 0.0286 0.4343 0.041 Uiso 1 1 calc R . .
C285 C 0.4462(5) 0.02106(19) 0.5501(4) 0.042(2) Uani 1 1 d DU . .
C286 C 0.4566(4) 0.0393(2) 0.6203(4) 0.044(2) Uani 1 1 d DU . .
H286 H 0.4633 0.0251 0.6660 0.053 Uiso 1 1 calc R . .
C287 C 0.4573(5) 0.0778(2) 0.6246(4) 0.045(2) Uani 1 1 d DU . .
H287 H 0.4648 0.0899 0.6728 0.054 Uiso 1 1 calc R . .
C288 C 0.4472(6) -0.0374(3) 0.4880(5) 0.064(3) Uani 1 1 d DU . .
H28D H 0.3990 -0.0364 0.4472 0.097 Uiso 1 1 calc R . .
H28E H 0.4604 -0.0634 0.5019 0.097 Uiso 1 1 calc R . .
H28F H 0.4843 -0.0260 0.4690 0.097 Uiso 1 1 calc R . .
C289 C 0.3013(4) 0.0644(2) 0.3005(4) 0.040(2) Uani 1 1 d DU . .
H289 H 0.2789 0.0702 0.3384 0.048 Uiso 1 1 calc R . .
C290 C 0.2606(4) 0.0446(2) 0.2348(4) 0.040(2) Uani 1 1 d DU . .
H290 H 0.2106 0.0385 0.2269 0.049 Uiso 1 1 calc R . .
C291 C 0.2929(4) 0.0340(2) 0.1822(4) 0.039(2) Uani 1 1 d DU . .
H291 H 0.2672 0.0194 0.1382 0.047 Uiso 1 1 calc R . .
C292 C 0.3644(4) 0.0453(2) 0.1953(4) 0.039(2) Uani 1 1 d DU . .
H292 H 0.3880 0.0394 0.1585 0.046 Uiso 1 1 calc R . .
C293 C 0.4021(4) 0.0650(2) 0.2610(4) 0.036(2) Uani 1 1 d DU . .
H293 H 0.4522 0.0711 0.2699 0.043 Uiso 1 1 calc R . .
Pd11 Pd 0.62443(5) 0.28576(2) 0.45579(4) 0.0491(2) Uani 1 1 d U . .
Cl11 Cl 0.63381(17) 0.23881(8) 0.36469(15) 0.0692(9) Uani 1 1 d U . .
O11 O 0.5809(5) 0.41459(18) 0.5937(4) 0.090(3) Uani 1 1 d DU . .
N111 N 0.5961(4) 0.2471(2) 0.5210(3) 0.051(2) Uani 1 1 d DU . .
H11C H 0.5458 0.2451 0.5061 0.062 Uiso 1 1 calc R . .
H11D H 0.6150 0.2243 0.5143 0.062 Uiso 1 1 calc R . .
N112 N 0.6562(4) 0.3265(2) 0.3964(4) 0.063(2) Uani 1 1 d DU . .
C300 C 0.6267(4) 0.25866(19) 0.6054(4) 0.038(2) Uani 1 1 d DU . .
H300 H 0.6806 0.2532 0.6249 0.045 Uiso 1 1 calc R . .
C301 C 0.5906(4) 0.2371(2) 0.6529(4) 0.040(2) Uani 1 1 d DU . .
H30A H 0.6108 0.2450 0.7072 0.061 Uiso 1 1 calc R . .
H30B H 0.5997 0.2105 0.6490 0.061 Uiso 1 1 calc R . .
H30C H 0.5375 0.2418 0.6337 0.061 Uiso 1 1 calc R . .
C302 C 0.6162(5) 0.29993(19) 0.6063(4) 0.042(2) Uani 1 1 d DU . .
C303 C 0.6162(5) 0.3184(2) 0.5380(4) 0.045(2) Uani 1 1 d DU . .
C304 C 0.6071(5) 0.3573(2) 0.5343(5) 0.053(2) Uani 1 1 d DU . .
H304 H 0.6082 0.3705 0.4896 0.064 Uiso 1 1 calc R . .
C305 C 0.5964(6) 0.3765(2) 0.5963(5) 0.064(3) Uani 1 1 d DU . .
C306 C 0.5973(5) 0.3580(2) 0.6622(4) 0.055(3) Uani 1 1 d DU . .
H306 H 0.5923 0.3715 0.7049 0.066 Uiso 1 1 calc R . .
C307 C 0.6053(5) 0.3196(2) 0.6671(5) 0.053(2) Uani 1 1 d DU . .
H307 H 0.6034 0.3068 0.7119 0.064 Uiso 1 1 calc R . .
C308 C 0.5317(8) 0.4321(4) 0.5248(7) 0.143(5) Uani 1 1 d DU . .
H30D H 0.5060 0.4130 0.4876 0.214 Uiso 1 1 calc R . .
H30E H 0.5600 0.4480 0.5015 0.214 Uiso 1 1 calc R . .
H30F H 0.4956 0.4473 0.5388 0.214 Uiso 1 1 calc R . .
C309 C 0.7167(5) 0.3471(3) 0.4285(5) 0.065(3) Uani 1 1 d DU . .
H309 H 0.7424 0.3446 0.4824 0.078 Uiso 1 1 calc R . .
C310 C 0.7432(6) 0.3720(3) 0.3856(5) 0.083(3) Uani 1 1 d DU . .
H310 H 0.7883 0.3846 0.4097 0.100 Uiso 1 1 calc R . .
C311 C 0.7050(6) 0.3786(3) 0.3093(6) 0.083(3) Uani 1 1 d DU . .
H311 H 0.7198 0.3973 0.2809 0.100 Uiso 1 1 calc R . .
C312 C 0.6438(5) 0.3567(3) 0.2752(6) 0.076(3) Uani 1 1 d DU . .
H312 H 0.6182 0.3583 0.2211 0.091 Uiso 1 1 calc R . .
C313 C 0.6207(6) 0.3329(3) 0.3206(5) 0.067(3) Uani 1 1 d DU . .
H313 H 0.5761 0.3198 0.2968 0.080 Uiso 1 1 calc R . .
Pd12 Pd 0.41917(5) 0.28857(3) 0.38353(4) 0.0532(2) Uani 1 1 d U . .
Cl12 Cl 0.41099(15) 0.24235(8) 0.47578(14) 0.0571(8) Uani 1 1 d U . .
O12 O 0.4423(5) 0.41869(18) 0.2330(4) 0.079(2) Uani 1 1 d DU . .
N121 N 0.4485(5) 0.2506(2) 0.3198(4) 0.067(3) Uani 1 1 d DU . .
H12A H 0.4964 0.2438 0.3457 0.080 Uiso 1 1 calc R . .
H12B H 0.4197 0.2299 0.3168 0.080 Uiso 1 1 calc R . .
N122 N 0.3855(4) 0.3289(2) 0.4430(4) 0.0484(19) Uani 1 1 d DU . .
C320 C 0.4429(6) 0.2618(2) 0.2386(5) 0.085(3) Uani 1 1 d DU . .
H320 H 0.4906 0.2559 0.2305 0.102 Uiso 1 1 calc R . .
C321 C 0.3845(7) 0.2433(3) 0.1795(6) 0.126(5) Uani 1 1 d DU . .
H32A H 0.3392 0.2443 0.1929 0.188 Uiso 1 1 calc R . .
H32B H 0.3980 0.2172 0.1758 0.188 Uiso 1 1 calc R . .
H32C H 0.3764 0.2556 0.1295 0.188 Uiso 1 1 calc R . .
C322 C 0.4325(6) 0.3037(2) 0.2354(5) 0.074(3) Uani 1 1 d DU . .
C323 C 0.4272(6) 0.3220(2) 0.3016(4) 0.055(2) Uani 1 1 d DU . .
C324 C 0.4335(5) 0.3615(2) 0.3025(5) 0.053(2) Uani 1 1 d DU . .
H324 H 0.4316 0.3752 0.3462 0.064 Uiso 1 1 calc R . .
C325 C 0.4423(6) 0.3798(2) 0.2387(5) 0.063(3) Uani 1 1 d DU . .
C326 C 0.4434(6) 0.3610(2) 0.1741(5) 0.061(3) Uani 1 1 d DU . .
H326 H 0.4451 0.3745 0.1301 0.073 Uiso 1 1 calc R . .
C327 C 0.4419(7) 0.3227(2) 0.1718(5) 0.080(3) Uani 1 1 d DU . .
H327 H 0.4471 0.3095 0.1288 0.096 Uiso 1 1 calc R . .
C328 C 0.4487(9) 0.4384(4) 0.3002(7) 0.144(5) Uani 1 1 d DU . .
H32D H 0.4106 0.4301 0.3213 0.217 Uiso 1 1 calc RD . .
H32E H 0.4426 0.4650 0.2883 0.217 Uiso 1 1 calc R . .
H32F H 0.4973 0.4340 0.3384 0.217 Uiso 1 1 calc R . .
C329 C 0.3249(5) 0.3489(3) 0.4095(5) 0.064(3) Uani 1 1 d DU . .
H329 H 0.2981 0.3452 0.3561 0.077 Uiso 1 1 calc R . .
C330 C 0.3006(5) 0.3751(3) 0.4520(5) 0.071(3) Uani 1 1 d DU . .
H330 H 0.2583 0.3899 0.4281 0.086 Uiso 1 1 calc R . .
C331 C 0.3393(5) 0.3788(3) 0.5286(6) 0.079(3) Uani 1 1 d DU . .
H331 H 0.3224 0.3959 0.5588 0.095 Uiso 1 1 calc R . .
C332 C 0.4026(5) 0.3585(3) 0.5643(6) 0.074(3) Uani 1 1 d DU . .
H332 H 0.4299 0.3619 0.6176 0.089 Uiso 1 1 calc R . .
C333 C 0.4244(5) 0.3334(3) 0.5196(5) 0.055(3) Uani 1 1 d DU . .
H333 H 0.4674 0.3189 0.5425 0.066 Uiso 1 1 calc R . .
Pd13 Pd 0.50991(4) 0.39207(2) 0.01790(5) 0.0519(2) Uani 1 1 d U . .
Cl13 Cl 0.60057(15) 0.34360(7) 0.06373(14) 0.0512(7) Uani 1 1 d U . .
O13 O 0.3929(5) 0.5249(2) -0.0685(6) 0.124(3) Uani 1 1 d DU . .
N131 N 0.4319(4) 0.3560(2) -0.0481(4) 0.049(2) Uani 1 1 d DU . .
H13A H 0.4359 0.3538 -0.0967 0.059 Uiso 1 1 calc R . .
H13B H 0.4384 0.3328 -0.0253 0.059 Uiso 1 1 calc R . .
N132 N 0.5802(4) 0.4303(2) 0.0848(5) 0.073(2) Uani 1 1 d DU . .
C340 C 0.3577(4) 0.3709(2) -0.0539(6) 0.069(3) Uani 1 1 d DU . .
H340 H 0.3500 0.3653 -0.0035 0.083 Uiso 1 1 calc R . .
C341 C 0.2981(5) 0.3526(3) -0.1145(6) 0.087(4) Uani 1 1 d DU . .
H34A H 0.2836 0.3680 -0.1614 0.130 Uiso 1 1 calc R . .
H34B H 0.2559 0.3492 -0.0965 0.130 Uiso 1 1 calc R . .
H34C H 0.3150 0.3283 -0.1263 0.130 Uiso 1 1 calc R . .
C342 C 0.3625(5) 0.4125(2) -0.0589(7) 0.075(3) Uani 1 1 d DU . .
C343 C 0.4322(5) 0.4270(2) -0.0256(6) 0.062(2) Uani 1 1 d DU . .
C344 C 0.4413(5) 0.4654(2) -0.0322(7) 0.081(3) Uani 1 1 d DU . .
H344 H 0.4884 0.4767 -0.0111 0.097 Uiso 1 1 calc R . .
C345 C 0.3797(5) 0.4865(2) -0.0703(8) 0.098(4) Uani 1 1 d DU . .
C346 C 0.3113(6) 0.4721(3) -0.0997(9) 0.121(4) Uani 1 1 d DU . .
H346 H 0.2698 0.4879 -0.1186 0.145 Uiso 1 1 calc RD . .
C347 C 0.3029(6) 0.4340(3) -0.1017(7) 0.096(4) Uani 1 1 d DU . .
H347 H 0.2578 0.4228 -0.1315 0.115 Uiso 1 1 calc R . .
C348 C 0.3259(7) 0.5442(4) -0.1134(9) 0.165(6) Uani 1 1 d DU . .
H34D H 0.3377 0.5701 -0.1215 0.247 Uiso 1 1 calc RD . .
H34E H 0.2906 0.5437 -0.0851 0.247 Uiso 1 1 calc R . .
H34F H 0.3045 0.5319 -0.1637 0.247 Uiso 1 1 calc RD . .
C349 C 0.5650(6) 0.4459(3) 0.1459(5) 0.091(3) Uani 1 1 d DU . .
H349 H 0.5181 0.4427 0.1516 0.109 Uiso 1 1 calc R . .
C350 C 0.6197(5) 0.4670(3) 0.2006(7) 0.117(4) Uani 1 1 d DU . .
H350 H 0.6093 0.4786 0.2426 0.140 Uiso 1 1 calc R . .
C351 C 0.6882(6) 0.4708(3) 0.1933(7) 0.113(4) Uani 1 1 d DU . .
H351 H 0.7256 0.4842 0.2312 0.136 Uiso 1 1 calc R . .
C352 C 0.7027(6) 0.4548(3) 0.1299(6) 0.093(3) Uani 1 1 d DU . .
H352 H 0.7494 0.4571 0.1232 0.111 Uiso 1 1 calc R . .
C353 C 0.6457(5) 0.4354(3) 0.0776(6) 0.074(3) Uani 1 1 d DU . .
H353 H 0.6542 0.4250 0.0334 0.089 Uiso 1 1 calc R . .
Pd14 Pd 0.52048(5) 0.39129(2) 0.81598(5) 0.0538(2) Uani 1 1 d U . .
Cl14 Cl 0.43170(17) 0.34256(7) 0.76894(15) 0.0615(8) Uani 1 1 d U . .
O14 O 0.6342(7) 0.5265(2) 0.9031(7) 0.182(5) Uani 1 1 d DU . .
N141 N 0.5999(4) 0.3563(2) 0.8821(4) 0.053(2) Uani 1 1 d DU . .
H14G H 0.5968 0.3548 0.9313 0.064 Uiso 1 1 calc R . .
H14H H 0.5932 0.3329 0.8607 0.064 Uiso 1 1 calc R . .
N142 N 0.4473(4) 0.4285(2) 0.7487(5) 0.079(3) Uani 1 1 d DU . .
C360 C 0.6741(5) 0.3710(2) 0.8860(6) 0.080(3) Uani 1 1 d DU . .
H360 H 0.6821 0.3653 0.8357 0.096 Uiso 1 1 calc R . .
C361 C 0.7332(5) 0.3534(3) 0.9488(6) 0.086(4) Uani 1 1 d DU . .
H36A H 0.7266 0.3589 0.9986 0.129 Uiso 1 1 calc R . .
H36B H 0.7808 0.3629 0.9488 0.129 Uiso 1 1 calc R . .
H36C H 0.7315 0.3264 0.9408 0.129 Uiso 1 1 calc R . .
C362 C 0.6668(5) 0.4129(2) 0.8920(7) 0.081(3) Uani 1 1 d DU . .
C363 C 0.5959(5) 0.4269(2) 0.8611(7) 0.078(3) Uani 1 1 d DU . .
C364 C 0.5888(6) 0.4662(3) 0.8656(7) 0.092(3) Uani 1 1 d DU . .
H364 H 0.5420 0.4777 0.8447 0.110 Uiso 1 1 calc R . .
C365 C 0.6509(6) 0.4877(3) 0.9008(9) 0.119(4) Uani 1 1 d DU . .
C366 C 0.7187(6) 0.4738(3) 0.9375(8) 0.117(4) Uani 1 1 d DU . .
H366 H 0.7578 0.4887 0.9691 0.141 Uiso 1 1 calc R . .
C367 C 0.7270(6) 0.4358(3) 0.9254(8) 0.108(4) Uani 1 1 d DU . .
H367 H 0.7750 0.4254 0.9405 0.129 Uiso 1 1 calc R . .
C368 C 0.6827(10) 0.5425(5) 0.9758(9) 0.209(7) Uani 1 1 d DU . .
H36D H 0.6639 0.5670 0.9839 0.314 Uiso 1 1 calc R . .
H36E H 0.7324 0.5453 0.9729 0.314 Uiso 1 1 calc R . .
H36F H 0.6842 0.5261 1.0191 0.314 Uiso 1 1 calc R . .
C369 C 0.3774(5) 0.4300(3) 0.7513(6) 0.092(3) Uani 1 1 d DU . .
H369 H 0.3651 0.4155 0.7888 0.111 Uiso 1 1 calc R . .
C370 C 0.3226(6) 0.4526(3) 0.6996(6) 0.102(4) Uani 1 1 d DU . .
H370 H 0.2741 0.4541 0.7018 0.122 Uiso 1 1 calc R . .
C371 C 0.3434(6) 0.4713(4) 0.6485(8) 0.127(4) Uani 1 1 d DU . .
H371 H 0.3074 0.4865 0.6131 0.153 Uiso 1 1 calc R . .
C372 C 0.4137(6) 0.4709(4) 0.6414(8) 0.142(4) Uani 1 1 d DU . .
H372 H 0.4258 0.4842 0.6024 0.170 Uiso 1 1 calc R . .
C373 C 0.4643(7) 0.4490(4) 0.6972(7) 0.126(4) Uani 1 1 d DU . .
H373 H 0.5138 0.4489 0.6980 0.151 Uiso 1 1 calc R . .
Pd15 Pd -0.08440(5) 0.51020(3) 0.35209(7) 0.0844(3) Uani 1 1 d U . .
Cl15 Cl -0.0923(2) 0.46033(9) 0.2605(2) 0.1068(13) Uani 1 1 d U . .
O15 O -0.0688(5) 0.6488(2) 0.4558(5) 0.115(3) Uani 1 1 d DU . .
N151 N -0.0439(6) 0.4776(2) 0.4467(5) 0.113(3) Uani 1 1 d DU . .
H15A H -0.0668 0.4548 0.4365 0.136 Uiso 1 1 calc R . .
H15B H 0.0055 0.4739 0.4554 0.136 Uiso 1 1 calc R . .
N152 N -0.1320(5) 0.5488(2) 0.2676(5) 0.106(3) Uani 1 1 d DU . .
C380 C -0.0533(5) 0.4931(3) 0.5187(7) 0.132(4) Uani 1 1 d DU . .
H380 H -0.0073 0.4878 0.5629 0.159 Uiso 1 1 calc R . .
C381 C -0.1156(7) 0.4782(4) 0.5389(9) 0.168(5) Uani 1 1 d DU . .
H38A H -0.1531 0.4689 0.4920 0.252 Uiso 1 1 d R . .
H38B H -0.1369 0.4978 0.5623 0.252 Uiso 1 1 d R . .
H38C H -0.0983 0.4578 0.5760 0.252 Uiso 1 1 d R . .
C382 C -0.0600(7) 0.5356(2) 0.5077(6) 0.105(3) Uani 1 1 d DU . .
C383 C -0.0726(7) 0.5477(2) 0.4331(6) 0.091(3) Uani 1 1 d DU . .
C384 C -0.0753(6) 0.5859(2) 0.4195(6) 0.087(3) Uani 1 1 d DU . .
H384 H -0.0851 0.5948 0.3681 0.104 Uiso 1 1 calc R . .
C385 C -0.0639(7) 0.6108(3) 0.4792(6) 0.100(3) Uani 1 1 d DU . .
C386 C -0.0557(8) 0.6002(3) 0.5518(6) 0.121(4) Uani 1 1 d DU . .
H386 H -0.0515 0.6178 0.5918 0.145 Uiso 1 1 calc R . .
C387 C -0.0535(8) 0.5611(3) 0.5665(7) 0.127(4) Uani 1 1 d DU . .
H387 H -0.0476 0.5525 0.6174 0.152 Uiso 1 1 calc R . .
C388 C -0.0397(9) 0.6707(4) 0.5219(8) 0.149(5) Uani 1 1 d DU . .
H38D H -0.0014 0.6567 0.5610 0.224 Uiso 1 1 calc R . .
H38E H -0.0789 0.6773 0.5428 0.224 Uiso 1 1 calc R . .
H38F H -0.0185 0.6934 0.5084 0.224 Uiso 1 1 calc R . .
C389 C -0.0948(7) 0.5636(3) 0.2221(6) 0.132(4) Uani 1 1 d DU . .
H389 H -0.0461 0.5554 0.2292 0.159 Uiso 1 1 calc R . .
C390 C -0.1268(6) 0.5906(3) 0.1650(7) 0.145(4) Uani 1 1 d DU . .
H390 H -0.1033 0.6016 0.1319 0.174 Uiso 1 1 calc R . .
C391 C -0.1955(6) 0.5988(4) 0.1643(9) 0.150(5) Uani 1 1 d DU . .
H391 H -0.2185 0.6181 0.1292 0.181 Uiso 1 1 calc R . .
C392 C -0.2386(7) 0.5845(4) 0.2045(7) 0.116(4) Uani 1 1 d DU . .
H392 H -0.2886 0.5916 0.1934 0.139 Uiso 1 1 calc R . .
C393 C -0.2056(8) 0.5600(4) 0.2602(9) 0.112(4) Uani 1 1 d DU . .
H393 H -0.2300 0.5504 0.2937 0.134 Uiso 1 1 calc R . .
Pd16 Pd 0.12548(5) 0.51175(3) 0.42998(7) 0.0879(4) Uani 1 1 d U . .
Cl16 Cl 0.1445(2) 0.46122(11) 0.5241(2) 0.1143(14) Uani 1 1 d U . .
O16 O 0.0638(6) 0.6463(2) 0.2820(6) 0.148(4) Uani 1 1 d DU . .
N161 N 0.0915(5) 0.4759(3) 0.3406(5) 0.113(3) Uani 1 1 d DU . .
H16G H 0.1117 0.4528 0.3557 0.136 Uiso 1 1 calc R . .
H16H H 0.0411 0.4737 0.3245 0.136 Uiso 1 1 calc R . .
N162 N 0.1620(5) 0.5487(2) 0.5177(5) 0.095(3) Uani 1 1 d DU . .
C400 C 0.1154(9) 0.4905(3) 0.2758(6) 0.155(4) Uani 1 1 d DU . .
H400 H 0.1703 0.4889 0.2966 0.186 Uiso 1 1 calc R . .
C401 C 0.0959(10) 0.4706(4) 0.2020(7) 0.198(6) Uani 1 1 d DU . .
H40A H 0.0925 0.4439 0.2112 0.296 Uiso 1 1 calc R . .
H40B H 0.1338 0.4749 0.1779 0.296 Uiso 1 1 calc R . .
H40C H 0.0484 0.4797 0.1675 0.296 Uiso 1 1 calc R . .
C402 C 0.0999(9) 0.5323(3) 0.2725(6) 0.133(4) Uani 1 1 d DU . .
C403 C 0.1040(7) 0.5486(3) 0.3440(6) 0.098(3) Uani 1 1 d DU . .
C404 C 0.0900(7) 0.5863(3) 0.3492(6) 0.108(4) Uani 1 1 d DU . .
H404 H 0.0911 0.5970 0.3972 0.129 Uiso 1 1 calc RD . .
C405 C 0.0745(9) 0.6080(3) 0.2828(6) 0.126(4) Uani 1 1 d DU . .
C406 C 0.0739(10) 0.5922(3) 0.2131(7) 0.155(4) Uani 1 1 d DU . .
H406 H 0.0616 0.6072 0.1678 0.186 Uiso 1 1 calc R . .
C407 C 0.0907(9) 0.5550(3) 0.2079(7) 0.152(4) Uani 1 1 d DU . .
H407 H 0.0959 0.5453 0.1616 0.183 Uiso 1 1 calc R . .
C408 C 0.0708(10) 0.6638(4) 0.3544(8) 0.178(6) Uani 1 1 d DU . .
H40D H 0.0242 0.6618 0.3649 0.268 Uiso 1 1 calc R . .
H40E H 0.0834 0.6901 0.3521 0.268 Uiso 1 1 calc R . .
H40F H 0.1098 0.6515 0.3960 0.268 Uiso 1 1 calc RD . .
C409 C 0.2343(6) 0.5525(3) 0.5511(6) 0.103(4) Uani 1 1 d DU . .
H409 H 0.2659 0.5387 0.5308 0.123 Uiso 1 1 calc R . .
C410 C 0.2662(6) 0.5758(3) 0.6147(6) 0.114(4) Uani 1 1 d DU . .
H410 H 0.3181 0.5783 0.6355 0.137 Uiso 1 1 calc R . .
C411 C 0.2222(6) 0.5947(4) 0.6464(7) 0.120(4) Uani 1 1 d DU . .
H411 H 0.2426 0.6083 0.6932 0.144 Uiso 1 1 calc R . .
C412 C 0.1472(6) 0.5939(4) 0.6092(7) 0.127(4) Uani 1 1 d DU . .
H412 H 0.1143 0.6079 0.6275 0.152 Uiso 1 1 calc R . .
C413 C 0.1230(7) 0.5721(4) 0.5454(7) 0.124(4) Uani 1 1 d DU . .
H413 H 0.0720 0.5737 0.5168 0.149 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C103 Pd1 N12 93.0(3) . . ?
C103 Pd1 N11 80.5(3) . . ?
N12 Pd1 N11 172.6(2) . . ?
C103 Pd1 Cl1 174.7(2) . . ?
N12 Pd1 Cl1 92.28(18) . . ?
N11 Pd1 Cl1 94.14(18) . . ?
C105 O1 C108 114.4(6) . . ?
C100 N11 Pd1 109.7(5) . . ?
C100 N11 H11A 109.7 . . ?
Pd1 N11 H11A 109.7 . . ?
C100 N11 H11B 109.7 . . ?
Pd1 N11 H11B 109.7 . . ?
H11A N11 H11B 108.2 . . ?
C109 N12 C113 117.4(6) . . ?
C109 N12 Pd1 122.4(5) . . ?
C113 N12 Pd1 120.1(5) . . ?
N11 C100 C101 109.6(6) . . ?
N11 C100 C102 104.9(5) . . ?
C101 C100 C102 109.2(7) . . ?
N11 C100 H100 111.0 . . ?
C101 C100 H100 111.0 . . ?
C102 C100 H100 111.0 . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C103 C102 C107 120.2(6) . . ?
C103 C102 C100 116.6(6) . . ?
C107 C102 C100 123.3(6) . . ?
C102 C103 C104 119.4(6) . . ?
C102 C103 Pd1 113.7(5) . . ?
C104 C103 Pd1 126.9(5) . . ?
C105 C104 C103 119.8(7) . . ?
C105 C104 H104 120.1 . . ?
C103 C104 H104 120.1 . . ?
C106 C105 C104 119.9(7) . . ?
C106 C105 O1 127.5(7) . . ?
C104 C105 O1 112.5(6) . . ?
C105 C106 C107 121.5(7) . . ?
C105 C106 H106 119.2 . . ?
C107 C106 H106 119.2 . . ?
C106 C107 C102 119.3(7) . . ?
C106 C107 H107 120.3 . . ?
C102 C107 H107 120.3 . . ?
O1 C108 H10D 109.5 . . ?
O1 C108 H10E 109.5 . . ?
H10D C108 H10E 109.5 . . ?
O1 C108 H10F 109.5 . . ?
H10D C108 H10F 109.5 . . ?
H10E C108 H10F 109.5 . . ?
N12 C109 C110 120.5(7) . . ?
N12 C109 H109 119.7 . . ?
C110 C109 H109 119.7 . . ?
C111 C110 C109 120.5(7) . . ?
C111 C110 H110 119.8 . . ?
C109 C110 H110 119.8 . . ?
C110 C111 C112 120.1(8) . . ?
C110 C111 H111 119.9 . . ?
C112 C111 H111 119.9 . . ?
C111 C112 C113 116.8(8) . . ?
C111 C112 H112 121.6 . . ?
C113 C112 H112 121.6 . . ?
N12 C113 C112 124.5(7) . . ?
N12 C113 H113 117.8 . . ?
C112 C113 H113 117.8 . . ?
C123 Pd2 N21 82.1(3) . . ?
C123 Pd2 N22 95.1(3) . . ?
N21 Pd2 N22 175.5(3) . . ?
C123 Pd2 Cl2 174.9(2) . . ?
N21 Pd2 Cl2 92.89(19) . . ?
N22 Pd2 Cl2 89.84(18) . . ?
C125 O2 C128 118.6(6) . . ?
C120 N21 Pd2 107.5(5) . . ?
C120 N21 H21A 110.2 . . ?
Pd2 N21 H21A 110.2 . . ?
C120 N21 H21B 110.2 . . ?
Pd2 N21 H21B 110.2 . . ?
H21A N21 H21B 108.5 . . ?
C129 N22 C133 116.1(6) . . ?
C129 N22 Pd2 122.8(5) . . ?
C133 N22 Pd2 120.5(5) . . ?
C121 C120 N21 116.5(8) . . ?
C121 C120 C122 115.5(7) . . ?
N21 C120 C122 105.3(6) . . ?
C121 C120 H120 106.2 . . ?
N21 C120 H120 106.2 . . ?
C122 C120 H120 106.2 . . ?
C120 C121 H12C 109.5 . . ?
C120 C121 H12D 109.5 . . ?
H12C C121 H12D 109.5 . . ?
C120 C121 H12E 109.5 . . ?
H12C C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C127 C122 C123 120.1(6) . . ?
C127 C122 C120 125.5(6) . . ?
C123 C122 C120 113.8(6) . . ?
C122 C123 C124 117.5(6) . . ?
C122 C123 Pd2 114.0(5) . . ?
C124 C123 Pd2 128.6(5) . . ?
C125 C124 C123 120.2(6) . . ?
C125 C124 H124 119.9 . . ?
C123 C124 H124 119.9 . . ?
C126 C125 O2 116.0(6) . . ?
C126 C125 C124 121.1(6) . . ?
O2 C125 C124 122.9(6) . . ?
C125 C126 C127 119.2(7) . . ?
C125 C126 H126 120.4 . . ?
C127 C126 H126 120.4 . . ?
C122 C127 C126 121.9(7) . . ?
C122 C127 H127 119.1 . . ?
C126 C127 H127 119.1 . . ?
O2 C128 H12F 109.5 . . ?
O2 C128 H12G 109.5 . . ?
H12F C128 H12G 109.5 . . ?
O2 C128 H12H 109.5 . . ?
H12F C128 H12H 109.5 . . ?
H12G C128 H12H 109.5 . . ?
N22 C129 C130 124.7(7) . . ?
N22 C129 H129 117.6 . . ?
C130 C129 H129 117.6 . . ?
C131 C130 C129 116.7(7) . . ?
C131 C130 H130 121.7 . . ?
C129 C130 H130 121.7 . . ?
C132 C131 C130 121.1(7) . . ?
C132 C131 H131 119.4 . . ?
C130 C131 H131 119.4 . . ?
C131 C132 C133 117.5(8) . . ?
C131 C132 H132 121.3 . . ?
C133 C132 H132 121.3 . . ?
N22 C133 C132 123.7(7) . . ?
N22 C133 H133 118.2 . . ?
C132 C133 H133 118.2 . . ?
C143 Pd3 N31 80.7(3) . . ?
C143 Pd3 N32 93.8(3) . . ?
N31 Pd3 N32 173.3(2) . . ?
C143 Pd3 Cl3 174.9(2) . . ?
N31 Pd3 Cl3 94.34(19) . . ?
N32 Pd3 Cl3 91.15(18) . . ?
C145 O3 C148 117.4(6) . . ?
C140 N31 Pd3 109.3(5) . . ?
C140 N31 H31A 109.8 . . ?
Pd3 N31 H31A 109.8 . . ?
C140 N31 H31B 109.8 . . ?
Pd3 N31 H31B 109.8 . . ?
H31A N31 H31B 108.3 . . ?
C153 N32 C149 118.1(7) . . ?
C153 N32 Pd3 122.3(6) . . ?
C149 N32 Pd3 119.6(5) . . ?
N31 C140 C141 109.8(6) . . ?
N31 C140 C142 104.5(5) . . ?
C141 C140 C142 112.1(6) . . ?
N31 C140 H140 110.1 . . ?
C141 C140 H140 110.1 . . ?
C142 C140 H140 110.1 . . ?
C140 C141 H14A 109.5 . . ?
C140 C141 H14B 109.5 . . ?
H14A C141 H14B 109.5 . . ?
C140 C141 H14C 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C147 C142 C143 120.4(6) . . ?
C147 C142 C140 124.6(6) . . ?
C143 C142 C140 115.0(6) . . ?
C142 C143 C144 119.0(6) . . ?
C142 C143 Pd3 114.3(5) . . ?
C144 C143 Pd3 126.7(5) . . ?
C145 C144 C143 118.7(6) . . ?
C145 C144 H144 120.6 . . ?
C143 C144 H144 120.6 . . ?
C146 C145 C144 122.7(7) . . ?
C146 C145 O3 123.6(6) . . ?
C144 C145 O3 113.7(6) . . ?
C145 C146 C147 118.4(7) . . ?
C145 C146 H146 120.8 . . ?
C147 C146 H146 120.8 . . ?
C142 C147 C146 120.4(7) . . ?
C142 C147 H147 119.8 . . ?
C146 C147 H147 119.8 . . ?
O3 C148 H14D 109.5 . . ?
O3 C148 H14E 109.5 . . ?
H14D C148 H14E 109.5 . . ?
O3 C148 H14F 109.5 . . ?
H14D C148 H14F 109.5 . . ?
H14E C148 H14F 109.5 . . ?
N32 C149 C150 120.6(8) . . ?
N32 C149 H149 119.7 . . ?
C150 C149 H149 119.7 . . ?
C151 C150 C149 121.1(9) . . ?
C151 C150 H150 119.4 . . ?
C149 C150 H150 119.4 . . ?
C150 C151 C152 118.8(9) . . ?
C150 C151 H151 120.6 . . ?
C152 C151 H151 120.6 . . ?
C153 C152 C151 117.5(8) . . ?
C153 C152 H152 121.3 . . ?
C151 C152 H152 121.3 . . ?
N32 C153 C152 123.7(8) . . ?
N32 C153 H153 118.1 . . ?
C152 C153 H153 118.1 . . ?
C163 Pd4 N41 80.9(3) . . ?
C163 Pd4 N42 95.2(3) . . ?
N41 Pd4 N42 173.0(2) . . ?
C163 Pd4 Cl4 172.5(3) . . ?
N41 Pd4 Cl4 93.62(19) . . ?
N42 Pd4 Cl4 90.8(2) . . ?
C165 O4 C168 118.0(8) . . ?
C160 N41 Pd4 110.9(5) . . ?
C160 N41 H41A 109.5 . . ?
Pd4 N41 H41A 109.5 . . ?
C160 N41 H41B 109.5 . . ?
Pd4 N41 H41B 109.5 . . ?
H41A N41 H41B 108.1 . . ?
C173 N42 C169 118.4(7) . . ?
C173 N42 Pd4 120.3(5) . . ?
C169 N42 Pd4 121.2(6) . . ?
C161 C160 N41 112.7(7) . . ?
C161 C160 C162 109.2(7) . . ?
N41 C160 C162 104.0(6) . . ?
C161 C160 H160 110.3 . . ?
N41 C160 H160 110.3 . . ?
C162 C160 H160 110.3 . . ?
C160 C161 H16A 109.5 . . ?
C160 C161 H16B 109.5 . . ?
H16A C161 H16B 109.5 . . ?
C160 C161 H16C 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C167 C162 C163 120.6(7) . . ?
C167 C162 C160 122.9(7) . . ?
C163 C162 C160 116.1(6) . . ?
C162 C163 C164 117.5(7) . . ?
C162 C163 Pd4 114.6(5) . . ?
C164 C163 Pd4 127.3(6) . . ?
C165 C164 C163 120.9(7) . . ?
C165 C164 H164 119.5 . . ?
C163 C164 H164 119.5 . . ?
C166 C165 C164 121.8(8) . . ?
C166 C165 O4 122.6(8) . . ?
C164 C165 O4 115.6(7) . . ?
C165 C166 C167 118.2(8) . . ?
C165 C166 H166 120.9 . . ?
C167 C166 H166 120.9 . . ?
C162 C167 C166 120.8(8) . . ?
C162 C167 H167 119.6 . . ?
C166 C167 H167 119.6 . . ?
O4 C168 H16D 109.5 . . ?
O4 C168 H16E 109.5 . . ?
H16D C168 H16E 109.5 . . ?
O4 C168 H16F 109.5 . . ?
H16D C168 H16F 109.5 . . ?
H16E C168 H16F 109.5 . . ?
N42 C169 C170 122.1(8) . . ?
N42 C169 H169 118.9 . . ?
C170 C169 H169 118.9 . . ?
C171 C170 C169 117.9(7) . . ?
C171 C170 H170 121.1 . . ?
C169 C170 H170 121.1 . . ?
C172 C171 C170 119.1(8) . . ?
C172 C171 H171 120.5 . . ?
C170 C171 H171 120.5 . . ?
C171 C172 C173 119.7(8) . . ?
C171 C172 H172 120.2 . . ?
C173 C172 H172 120.2 . . ?
N42 C173 C172 122.3(7) . . ?
N42 C173 H173 118.8 . . ?
C172 C173 H173 118.8 . . ?
C183 Pd5 N52 94.6(3) . . ?
C183 Pd5 N51 81.0(3) . . ?
N52 Pd5 N51 171.9(2) . . ?
C183 Pd5 Cl5 171.7(3) . . ?
N52 Pd5 Cl5 91.4(2) . . ?
N51 Pd5 Cl5 93.74(18) . . ?
C185 O5 C188 114.6(7) . . ?
C180 N51 Pd5 108.6(5) . . ?
C180 N51 H51A 110.0 . . ?
Pd5 N51 H51A 110.0 . . ?
C180 N51 H51B 110.0 . . ?
Pd5 N51 H51B 110.0 . . ?
H51A N51 H51B 108.4 . . ?
C193 N52 C189 118.4(7) . . ?
C193 N52 Pd5 121.7(6) . . ?
C189 N52 Pd5 119.4(5) . . ?
C181 C180 N51 109.8(7) . . ?
C181 C180 C182 114.2(7) . . ?
N51 C180 C182 104.6(5) . . ?
C181 C180 H180 109.3 . . ?
N51 C180 H180 109.3 . . ?
C182 C180 H180 109.3 . . ?
C180 C181 H18A 109.5 . . ?
C180 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
C180 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C187 C182 C183 119.5(7) . . ?
C187 C182 C180 125.0(6) . . ?
C183 C182 C180 115.4(6) . . ?
C184 C183 C182 118.1(7) . . ?
C184 C183 Pd5 127.5(5) . . ?
C182 C183 Pd5 114.3(5) . . ?
C183 C184 C185 120.4(7) . . ?
C183 C184 H184 119.8 . . ?
C185 C184 H184 119.8 . . ?
C186 C185 C184 121.5(7) . . ?
C186 C185 O5 124.2(7) . . ?
C184 C185 O5 114.2(7) . . ?
C185 C186 C187 118.7(8) . . ?
C185 C186 H186 120.7 . . ?
C187 C186 H186 120.7 . . ?
C186 C187 C182 121.7(7) . . ?
C186 C187 H187 119.2 . . ?
C182 C187 H187 119.2 . . ?
O5 C188 H18D 109.5 . . ?
O5 C188 H18E 109.5 . . ?
H18D C188 H18E 109.5 . . ?
O5 C188 H18F 109.5 . . ?
H18D C188 H18F 109.5 . . ?
H18E C188 H18F 109.5 . . ?
N52 C189 C190 121.1(8) . . ?
N52 C189 H189 119.5 . . ?
C190 C189 H189 119.5 . . ?
C191 C190 C189 118.3(9) . . ?
C191 C190 H190 120.8 . . ?
C189 C190 H190 120.8 . . ?
C190 C191 C192 122.2(9) . . ?
C190 C191 H191 118.9 . . ?
C192 C191 H191 118.9 . . ?
C191 C192 C193 116.8(8) . . ?
C191 C192 H192 121.6 . . ?
C193 C192 H192 121.6 . . ?
N52 C193 C192 123.1(8) . . ?
N52 C193 H193 118.5 . . ?
C192 C193 H193 118.5 . . ?
C203 Pd6 N62 93.4(3) . . ?
C203 Pd6 N61 81.3(3) . . ?
N62 Pd6 N61 174.7(3) . . ?
C203 Pd6 Cl6 174.1(2) . . ?
N62 Pd6 Cl6 91.93(19) . . ?
N61 Pd6 Cl6 93.34(19) . . ?
C208 O6 C205 110.0(8) . . ?
C200 N61 Pd6 113.1(5) . . ?
C200 N61 H61A 109.0 . . ?
Pd6 N61 H61A 109.0 . . ?
C200 N61 H61B 109.0 . . ?
Pd6 N61 H61B 109.0 . . ?
H61A N61 H61B 107.8 . . ?
C213 N62 C209 116.0(7) . . ?
C213 N62 Pd6 124.4(5) . . ?
C209 N62 Pd6 119.5(5) . . ?
C201 C200 N61 110.5(7) . . ?
C201 C200 C202 109.2(8) . . ?
N61 C200 C202 103.9(6) . . ?
C201 C200 H200 111.0 . . ?
N61 C200 H200 111.0 . . ?
C202 C200 H200 111.0 . . ?
C200 C201 H20A 109.5 . . ?
C200 C201 H20B 109.5 . . ?
H20A C201 H20B 109.5 . . ?
C200 C201 H20C 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
C207 C202 C203 124.6(7) . . ?
C207 C202 C200 117.8(7) . . ?
C203 C202 C200 117.6(6) . . ?
C202 C203 C204 117.3(7) . . ?
C202 C203 Pd6 114.8(5) . . ?
C204 C203 Pd6 127.6(6) . . ?
C205 C204 C203 114.7(7) . . ?
C205 C204 H204 122.7 . . ?
C203 C204 H204 122.7 . . ?
C206 C205 O6 109.1(7) . . ?
C206 C205 C204 127.1(8) . . ?
O6 C205 C204 123.8(8) . . ?
C205 C206 C207 119.1(8) . . ?
C205 C206 H206 120.4 . . ?
C207 C206 H206 120.4 . . ?
C206 C207 C202 117.1(8) . . ?
C206 C207 H207 121.5 . . ?
C202 C207 H207 121.5 . . ?
O6 C208 H20D 109.5 . . ?
O6 C208 H20E 109.5 . . ?
H20D C208 H20E 109.5 . . ?
O6 C208 H20F 109.5 . . ?
H20D C208 H20F 109.5 . . ?
H20E C208 H20F 109.5 . . ?
N62 C209 C210 122.4(8) . . ?
N62 C209 H209 118.8 . . ?
C210 C209 H209 118.8 . . ?
C211 C210 C209 120.6(8) . . ?
C211 C210 H210 119.7 . . ?
C209 C210 H210 119.7 . . ?
C210 C211 C212 117.6(8) . . ?
C210 C211 H211 121.2 . . ?
C212 C211 H211 121.2 . . ?
C213 C212 C211 118.6(8) . . ?
C213 C212 H212 120.7 . . ?
C211 C212 H212 120.7 . . ?
N62 C213 C212 124.5(8) . . ?
N62 C213 H213 117.8 . . ?
C212 C213 H213 117.8 . . ?
C223 Pd7 N72 91.9(3) . . ?
C223 Pd7 N71 81.9(3) . . ?
N72 Pd7 N71 173.1(3) . . ?
C223 Pd7 Cl7 176.1(2) . . ?
N72 Pd7 Cl7 90.94(19) . . ?
N71 Pd7 Cl7 95.38(18) . . ?
C225 O7 C228 117.9(7) . . ?
C220 N71 Pd7 110.8(5) . . ?
C220 N71 H71A 109.5 . . ?
Pd7 N71 H71A 109.5 . . ?
C220 N71 H71B 109.5 . . ?
Pd7 N71 H71B 109.5 . . ?
H71A N71 H71B 108.1 . . ?
C229 N72 C233 120.0(7) . . ?
C229 N72 Pd7 120.8(5) . . ?
C233 N72 Pd7 118.6(5) . . ?
C221 C220 C222 116.7(8) . . ?
C221 C220 N71 108.2(7) . . ?
C222 C220 N71 107.3(6) . . ?
C221 C220 H220 108.1 . . ?
C222 C220 H220 108.1 . . ?
N71 C220 H220 108.1 . . ?
C220 C221 H22A 109.5 . . ?
C220 C221 H22B 109.5 . . ?
H22A C221 H22B 109.5 . . ?
C220 C221 H22C 109.5 . . ?
H22A C221 H22C 109.5 . . ?
H22B C221 H22C 109.5 . . ?
C223 C222 C227 119.3(7) . . ?
C223 C222 C220 116.5(6) . . ?
C227 C222 C220 124.2(6) . . ?
C222 C223 C224 117.9(7) . . ?
C222 C223 Pd7 115.7(5) . . ?
C224 C223 Pd7 126.3(5) . . ?
C223 C224 C225 123.3(7) . . ?
C223 C224 H224 118.3 . . ?
C225 C224 H224 118.3 . . ?
C226 C225 O7 125.1(7) . . ?
C226 C225 C224 118.2(7) . . ?
O7 C225 C224 116.5(7) . . ?
C225 C226 C227 121.2(7) . . ?
C225 C226 H226 119.4 . . ?
C227 C226 H226 119.4 . . ?
C226 C227 C222 119.8(7) . . ?
C226 C227 H227 120.1 . . ?
C222 C227 H227 120.1 . . ?
O7 C228 H22D 109.5 . . ?
O7 C228 H22E 109.5 . . ?
H22D C228 H22E 109.5 . . ?
O7 C228 H22F 109.5 . . ?
H22D C228 H22F 109.5 . . ?
H22E C228 H22F 109.5 . . ?
N72 C229 C230 121.4(8) . . ?
N72 C229 H229 119.3 . . ?
C230 C229 H229 119.3 . . ?
C231 C230 C229 117.3(8) . . ?
C231 C230 H230 121.3 . . ?
C229 C230 H230 121.3 . . ?
C230 C231 C232 120.1(8) . . ?
C230 C231 H231 119.9 . . ?
C232 C231 H231 119.9 . . ?
C233 C232 C231 120.2(8) . . ?
C233 C232 H232 119.9 . . ?
C231 C232 H232 119.9 . . ?
N72 C233 C232 120.4(8) . . ?
N72 C233 H233 119.8 . . ?
C232 C233 H233 119.8 . . ?
C243 Pd8 N82 92.0(3) . . ?
C243 Pd8 N81 83.5(3) . . ?
N82 Pd8 N81 175.4(3) . . ?
C243 Pd8 Cl8 174.9(3) . . ?
N82 Pd8 Cl8 91.7(2) . . ?
N81 Pd8 Cl8 92.9(2) . . ?
C245 O8 C248 117.0(8) . . ?
C240 N81 Pd8 108.6(6) . . ?
C240 N81 H81A 110.0 . . ?
Pd8 N81 H81A 110.0 . . ?
C240 N81 H81B 110.0 . . ?
Pd8 N81 H81B 110.0 . . ?
H81A N81 H81B 108.3 . . ?
C249 N82 C253 117.6(8) . . ?
C249 N82 Pd8 121.4(6) . . ?
C253 N82 Pd8 120.9(6) . . ?
C241 C240 C242 114.6(8) . . ?
C241 C240 N81 113.4(8) . . ?
C242 C240 N81 107.8(7) . . ?
C241 C240 H240 106.9 . . ?
C242 C240 H240 106.9 . . ?
N81 C240 H240 106.9 . . ?
C240 C241 H24A 109.5 . . ?
C240 C241 H24B 109.5 . . ?
H24A C241 H24B 109.5 . . ?
C240 C241 H24C 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
C247 C242 C243 119.1(7) . . ?
C247 C242 C240 123.5(8) . . ?
C243 C242 C240 117.4(8) . . ?
C244 C243 C242 119.9(7) . . ?
C244 C243 Pd8 126.5(6) . . ?
C242 C243 Pd8 113.4(5) . . ?
C245 C244 C243 119.4(8) . . ?
C245 C244 H244 120.3 . . ?
C243 C244 H244 120.3 . . ?
C246 C245 O8 117.2(8) . . ?
C246 C245 C244 120.2(8) . . ?
O8 C245 C244 122.5(7) . . ?
C245 C246 C247 121.1(9) . . ?
C245 C246 H246 119.5 . . ?
C247 C246 H246 119.5 . . ?
C246 C247 C242 120.0(9) . . ?
C246 C247 H247 120.0 . . ?
C242 C247 H247 120.0 . . ?
O8 C248 H24D 109.5 . . ?
O8 C248 H24E 109.5 . . ?
H24D C248 H24E 109.5 . . ?
O8 C248 H24F 109.5 . . ?
H24D C248 H24F 109.5 . . ?
H24E C248 H24F 109.5 . . ?
N82 C249 C250 122.6(9) . . ?
N82 C249 H249 118.7 . . ?
C250 C249 H249 118.7 . . ?
C251 C250 C249 118.3(10) . . ?
C251 C250 H250 120.9 . . ?
C249 C250 H250 120.9 . . ?
C250 C251 C252 120.3(10) . . ?
C250 C251 H251 119.8 . . ?
C252 C251 H251 119.8 . . ?
C251 C252 C253 117.2(9) . . ?
C251 C252 H252 121.4 . . ?
C253 C252 H252 121.4 . . ?
N82 C253 C252 123.4(9) . . ?
N82 C253 H253 118.3 . . ?
C252 C253 H253 118.3 . . ?
C263 Pd9 N91 81.5(3) . . ?
C263 Pd9 N92 94.1(3) . . ?
N91 Pd9 N92 175.6(3) . . ?
C263 Pd9 Cl9 175.2(3) . . ?
N91 Pd9 Cl9 93.8(2) . . ?
N92 Pd9 Cl9 90.6(2) . . ?
C265 O9 C268 115.0(8) . . ?
C260 N91 Pd9 113.1(6) . . ?
C260 N91 H91A 109.0 . . ?
Pd9 N91 H91A 109.0 . . ?
C260 N91 H91B 109.0 . . ?
Pd9 N91 H91B 109.0 . . ?
H91A N91 H91B 107.8 . . ?
C269 N92 C273 116.5(7) . . ?
C269 N92 Pd9 124.1(6) . . ?
C273 N92 Pd9 119.4(6) . . ?
C261 C260 N91 110.2(8) . . ?
C261 C260 C262 111.3(8) . . ?
N91 C260 C262 105.7(6) . . ?
C261 C260 H260 109.8 . . ?
N91 C260 H260 109.8 . . ?
C262 C260 H260 109.8 . . ?
C260 C261 H26A 109.5 . . ?
C260 C261 H26B 109.5 . . ?
H26A C261 H26B 109.5 . . ?
C260 C261 H26C 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C263 C262 C267 120.5(7) . . ?
C263 C262 C260 117.8(7) . . ?
C267 C262 C260 121.7(7) . . ?
C262 C263 C264 119.1(7) . . ?
C262 C263 Pd9 114.1(5) . . ?
C264 C263 Pd9 126.7(6) . . ?
C265 C264 C263 119.3(8) . . ?
C265 C264 H264 120.4 . . ?
C263 C264 H264 120.4 . . ?
C266 C265 O9 114.9(8) . . ?
C266 C265 C264 120.3(8) . . ?
O9 C265 C264 124.7(8) . . ?
C267 C266 C265 121.1(8) . . ?
C267 C266 H266 119.4 . . ?
C265 C266 H266 119.4 . . ?
C266 C267 C262 119.7(8) . . ?
C266 C267 H267 120.2 . . ?
C262 C267 H267 120.2 . . ?
O9 C268 H26D 109.5 . . ?
O9 C268 H26E 109.5 . . ?
H26D C268 H26E 109.5 . . ?
O9 C268 H26F 109.5 . . ?
H26D C268 H26F 109.5 . . ?
H26E C268 H26F 109.5 . . ?
N92 C269 C270 122.6(8) . . ?
N92 C269 H269 118.7 . . ?
C270 C269 H269 118.7 . . ?
C271 C270 C269 120.2(9) . . ?
C271 C270 H270 119.9 . . ?
C269 C270 H270 119.9 . . ?
C270 C271 C272 118.5(9) . . ?
C270 C271 H271 120.8 . . ?
C272 C271 H271 120.8 . . ?
C273 C272 C271 117.9(8) . . ?
C273 C272 H272 121.1 . . ?
C271 C272 H272 121.1 . . ?
N92 C273 C272 124.3(8) . . ?
N92 C273 H273 117.9 . . ?
C272 C273 H273 117.9 . . ?
C283 Pd10 N102 96.3(3) . . ?
C283 Pd10 N101 82.4(3) . . ?
N102 Pd10 N101 178.3(3) . . ?
C283 Pd10 Cl10 175.1(2) . . ?
N102 Pd10 Cl10 88.48(17) . . ?
N101 Pd10 Cl10 92.83(18) . . ?
C285 O10 C288 116.3(6) . . ?
C280 N101 Pd10 111.9(4) . . ?
C280 N101 H10G 109.2 . . ?
Pd10 N101 H10G 109.2 . . ?
C280 N101 H10H 109.2 . . ?
Pd10 N101 H10H 109.2 . . ?
H10G N101 H10H 107.9 . . ?
C289 N102 C293 117.0(6) . . ?
C289 N102 Pd10 119.4(5) . . ?
C293 N102 Pd10 122.9(5) . . ?
C281 C280 C282 111.7(7) . . ?
C281 C280 N101 111.6(6) . . ?
C282 C280 N101 104.8(6) . . ?
C281 C280 H280 109.5 . . ?
C282 C280 H280 109.5 . . ?
N101 C280 H280 109.5 . . ?
C280 C281 H28A 109.5 . . ?
C280 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C280 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
C287 C282 C283 119.0(6) . . ?
C287 C282 C280 121.8(6) . . ?
C283 C282 C280 119.2(6) . . ?
C284 C283 C282 121.4(6) . . ?
C284 C283 Pd10 125.9(5) . . ?
C282 C283 Pd10 112.7(5) . . ?
C285 C284 C283 118.6(7) . . ?
C285 C284 H284 120.7 . . ?
C283 C284 H284 120.7 . . ?
C284 C285 C286 120.7(7) . . ?
C284 C285 O10 124.3(6) . . ?
C286 C285 O10 114.9(6) . . ?
C287 C286 C285 121.2(7) . . ?
C287 C286 H286 119.4 . . ?
C285 C286 H286 119.4 . . ?
C286 C287 C282 119.1(7) . . ?
C286 C287 H287 120.5 . . ?
C282 C287 H287 120.5 . . ?
O10 C288 H28D 109.5 . . ?
O10 C288 H28E 109.5 . . ?
H28D C288 H28E 109.5 . . ?
O10 C288 H28F 109.5 . . ?
H28D C288 H28F 109.5 . . ?
H28E C288 H28F 109.5 . . ?
N102 C289 C290 123.1(7) . . ?
N102 C289 H289 118.5 . . ?
C290 C289 H289 118.5 . . ?
C291 C290 C289 119.5(7) . . ?
C291 C290 H290 120.2 . . ?
C289 C290 H290 120.2 . . ?
C290 C291 C292 117.2(7) . . ?
C290 C291 H291 121.4 . . ?
C292 C291 H291 121.4 . . ?
C293 C292 C291 120.9(7) . . ?
C293 C292 H292 119.5 . . ?
C291 C292 H292 119.5 . . ?
N102 C293 C292 122.0(7) . . ?
N102 C293 H293 119.0 . . ?
C292 C293 H293 119.0 . . ?
C303 Pd11 N111 81.7(3) . . ?
C303 Pd11 N112 95.2(3) . . ?
N111 Pd11 N112 176.4(3) . . ?
C303 Pd11 Cl11 172.7(2) . . ?
N111 Pd11 Cl11 91.1(2) . . ?
N112 Pd11 Cl11 91.9(2) . . ?
C305 O11 C308 121.8(8) . . ?
C300 N111 Pd11 108.7(5) . . ?
C300 N111 H11C 110.0 . . ?
Pd11 N111 H11C 110.0 . . ?
C300 N111 H11D 110.0 . . ?
Pd11 N111 H11D 110.0 . . ?
H11C N111 H11D 108.3 . . ?
C309 N112 C313 115.4(8) . . ?
C309 N112 Pd11 122.4(6) . . ?
C313 N112 Pd11 122.1(6) . . ?
C301 C300 C302 114.6(6) . . ?
C301 C300 N111 110.4(6) . . ?
C302 C300 N111 105.9(5) . . ?
C301 C300 H300 108.6 . . ?
C302 C300 H300 108.6 . . ?
N111 C300 H300 108.6 . . ?
C300 C301 H30A 109.5 . . ?
C300 C301 H30B 109.5 . . ?
H30A C301 H30B 109.5 . . ?
C300 C301 H30C 109.5 . . ?
H30A C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
C307 C302 C303 120.6(7) . . ?
C307 C302 C300 124.7(6) . . ?
C303 C302 C300 114.6(6) . . ?
C304 C303 C302 118.2(7) . . ?
C304 C303 Pd11 127.0(6) . . ?
C302 C303 Pd11 114.8(5) . . ?
C305 C304 C303 120.2(7) . . ?
C305 C304 H304 119.9 . . ?
C303 C304 H304 119.9 . . ?
C306 C305 O11 116.4(8) . . ?
C306 C305 C304 120.4(7) . . ?
O11 C305 C304 123.0(8) . . ?
C305 C306 C307 120.5(8) . . ?
C305 C306 H306 119.7 . . ?
C307 C306 H306 119.7 . . ?
C302 C307 C306 119.9(8) . . ?
C302 C307 H307 120.1 . . ?
C306 C307 H307 120.1 . . ?
O11 C308 H30D 109.5 . . ?
O11 C308 H30E 109.5 . . ?
H30D C308 H30E 109.5 . . ?
O11 C308 H30F 109.5 . . ?
H30D C308 H30F 109.5 . . ?
H30E C308 H30F 109.5 . . ?
N112 C309 C310 122.4(8) . . ?
N112 C309 H309 118.8 . . ?
C310 C309 H309 118.8 . . ?
C311 C310 C309 120.7(9) . . ?
C311 C310 H310 119.6 . . ?
C309 C310 H310 119.6 . . ?
C310 C311 C312 117.1(9) . . ?
C310 C311 H311 121.4 . . ?
C312 C311 H311 121.4 . . ?
C313 C312 C311 118.9(9) . . ?
C313 C312 H312 120.6 . . ?
C311 C312 H312 120.6 . . ?
N112 C313 C312 125.1(9) . . ?
N112 C313 H313 117.4 . . ?
C312 C313 H313 117.4 . . ?
C323 Pd12 N121 82.3(3) . . ?
C323 Pd12 N122 95.1(3) . . ?
N121 Pd12 N122 176.7(3) . . ?
C323 Pd12 Cl12 174.1(2) . . ?
N121 Pd12 Cl12 91.8(2) . . ?
N122 Pd12 Cl12 90.7(2) . . ?
C328 O12 C325 116.5(8) . . ?
C320 N121 Pd12 116.8(6) . . ?
C320 N121 H12A 108.1 . . ?
Pd12 N121 H12A 108.1 . . ?
C320 N121 H12B 108.1 . . ?
Pd12 N121 H12B 108.1 . . ?
H12A N121 H12B 107.3 . . ?
C329 N122 C333 120.6(8) . . ?
C329 N122 Pd12 121.4(6) . . ?
C333 N122 Pd12 117.9(6) . . ?
C321 C320 N121 113.5(9) . . ?
C321 C320 C322 111.6(9) . . ?
N121 C320 C322 105.6(7) . . ?
C321 C320 H320 108.6 . . ?
N121 C320 H320 108.6 . . ?
C322 C320 H320 108.6 . . ?
C320 C321 H32A 109.5 . . ?
C320 C321 H32B 109.5 . . ?
H32A C321 H32B 109.5 . . ?
C320 C321 H32C 109.5 . . ?
H32A C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
C327 C322 C323 123.2(8) . . ?
C327 C322 C320 117.5(8) . . ?
C323 C322 C320 118.3(7) . . ?
C322 C323 C324 116.4(7) . . ?
C322 C323 Pd12 114.5(6) . . ?
C324 C323 Pd12 129.0(6) . . ?
C325 C324 C323 119.6(8) . . ?
C325 C324 H324 120.2 . . ?
C323 C324 H324 120.2 . . ?
C326 C325 C324 121.8(8) . . ?
C326 C325 O12 115.5(7) . . ?
C324 C325 O12 122.4(8) . . ?
C325 C326 C327 121.1(8) . . ?
C325 C326 H326 119.5 . . ?
C327 C326 H326 119.5 . . ?
C326 C327 C322 117.7(9) . . ?
C326 C327 H327 121.1 . . ?
C322 C327 H327 121.1 . . ?
O12 C328 H32D 109.5 . . ?
O12 C328 H32E 109.5 . . ?
H32D C328 H32E 109.5 . . ?
O12 C328 H32F 109.5 . . ?
H32D C328 H32F 109.5 . . ?
H32E C328 H32F 109.5 . . ?
N122 C329 C330 120.8(8) . . ?
N122 C329 H329 119.6 . . ?
C330 C329 H329 119.6 . . ?
C331 C330 C329 117.8(9) . . ?
C331 C330 H330 121.1 . . ?
C329 C330 H330 121.1 . . ?
C330 C331 C332 122.2(9) . . ?
C330 C331 H331 118.9 . . ?
C332 C331 H331 118.9 . . ?
C333 C332 C331 117.5(9) . . ?
C333 C332 H332 121.3 . . ?
C331 C332 H332 121.3 . . ?
N122 C333 C332 121.1(8) . . ?
N122 C333 H333 119.5 . . ?
C332 C333 H333 119.5 . . ?
C343 Pd13 N132 94.6(3) . . ?
C343 Pd13 N131 81.3(3) . . ?
N132 Pd13 N131 175.1(3) . . ?
C343 Pd13 Cl13 174.3(3) . . ?
N132 Pd13 Cl13 91.0(2) . . ?
N131 Pd13 Cl13 93.1(2) . . ?
C345 O13 C348 109.7(9) . . ?
C340 N131 Pd13 108.2(5) . . ?
C340 N131 H13A 110.1 . . ?
Pd13 N131 H13A 110.1 . . ?
C340 N131 H13B 110.1 . . ?
Pd13 N131 H13B 110.1 . . ?
H13A N131 H13B 108.4 . . ?
C353 N132 C349 119.4(8) . . ?
C353 N132 Pd13 120.1(7) . . ?
C349 N132 Pd13 119.5(6) . . ?
C341 C340 N131 112.6(8) . . ?
C341 C340 C342 116.8(8) . . ?
N131 C340 C342 106.5(7) . . ?
C341 C340 H340 106.8 . . ?
N131 C340 H340 106.8 . . ?
C342 C340 H340 106.8 . . ?
C340 C341 H34A 109.5 . . ?
C340 C341 H34B 109.5 . . ?
H34A C341 H34B 109.5 . . ?
C340 C341 H34C 109.5 . . ?
H34A C341 H34C 109.5 . . ?
H34B C341 H34C 109.5 . . ?
C343 C342 C347 122.7(8) . . ?
C343 C342 C340 114.8(7) . . ?
C347 C342 C340 122.1(7) . . ?
C342 C343 C344 117.7(8) . . ?
C342 C343 Pd13 116.7(6) . . ?
C344 C343 Pd13 125.4(6) . . ?
C345 C344 C343 118.0(8) . . ?
C345 C344 H344 121.0 . . ?
C343 C344 H344 121.0 . . ?
C346 C345 C344 123.5(9) . . ?
C346 C345 O13 122.2(9) . . ?
C344 C345 O13 114.0(8) . . ?
C345 C346 C347 118.9(9) . . ?
C345 C346 H346 120.6 . . ?
C347 C346 H346 120.6 . . ?
C346 C347 C342 118.0(9) . . ?
C346 C347 H347 121.0 . . ?
C342 C347 H347 121.0 . . ?
O13 C348 H34D 109.5 . . ?
O13 C348 H34E 109.5 . . ?
H34D C348 H34E 109.5 . . ?
O13 C348 H34F 109.5 . . ?
H34D C348 H34F 109.5 . . ?
H34E C348 H34F 109.5 . . ?
N132 C349 C350 119.4(10) . . ?
N132 C349 H349 120.3 . . ?
C350 C349 H349 120.3 . . ?
C351 C350 C349 120.1(10) . . ?
C351 C350 H350 120.0 . . ?
C349 C350 H350 120.0 . . ?
C350 C351 C352 119.9(10) . . ?
C350 C351 H351 120.0 . . ?
C352 C351 H351 120.0 . . ?
C353 C352 C351 116.6(10) . . ?
C353 C352 H352 121.7 . . ?
C351 C352 H352 121.7 . . ?
N132 C353 C352 124.5(10) . . ?
N132 C353 H353 117.7 . . ?
C352 C353 H353 117.7 . . ?
C363 Pd14 N142 95.6(3) . . ?
C363 Pd14 N141 80.9(3) . . ?
N142 Pd14 N141 175.8(3) . . ?
C363 Pd14 Cl14 174.6(3) . . ?
N142 Pd14 Cl14 89.6(2) . . ?
N141 Pd14 Cl14 93.9(2) . . ?
C365 O14 C368 109.1(11) . . ?
C360 N141 Pd14 109.1(5) . . ?
C360 N141 H14G 109.9 . . ?
Pd14 N141 H14G 109.9 . . ?
C360 N141 H14H 109.9 . . ?
Pd14 N141 H14H 109.9 . . ?
H14G N141 H14H 108.3 . . ?
C373 N142 C369 118.8(9) . . ?
C373 N142 Pd14 120.9(7) . . ?
C369 N142 Pd14 120.0(7) . . ?
C361 C360 N141 111.4(8) . . ?
C361 C360 C362 116.0(8) . . ?
N141 C360 C362 104.0(7) . . ?
C361 C360 H360 108.4 . . ?
N141 C360 H360 108.4 . . ?
C362 C360 H360 108.4 . . ?
C360 C361 H36A 109.5 . . ?
C360 C361 H36B 109.5 . . ?
H36A C361 H36B 109.5 . . ?
C360 C361 H36C 109.5 . . ?
H36A C361 H36C 109.5 . . ?
H36B C361 H36C 109.5 . . ?
C363 C362 C367 122.0(8) . . ?
C363 C362 C360 115.6(7) . . ?
C367 C362 C360 122.4(8) . . ?
C362 C363 C364 115.9(8) . . ?
C362 C363 Pd14 116.0(6) . . ?
C364 C363 Pd14 128.1(7) . . ?
C365 C364 C363 119.5(9) . . ?
C365 C364 H364 120.3 . . ?
C363 C364 H364 120.3 . . ?
C366 C365 C364 124.6(9) . . ?
C366 C365 O14 122.2(9) . . ?
C364 C365 O14 112.7(9) . . ?
C365 C366 C367 115.0(10) . . ?
C365 C366 H366 122.5 . . ?
C367 C366 H366 122.5 . . ?
C362 C367 C366 121.7(10) . . ?
C362 C367 H367 119.1 . . ?
C366 C367 H367 119.1 . . ?
O14 C368 H36D 109.5 . . ?
O14 C368 H36E 109.5 . . ?
H36D C368 H36E 109.5 . . ?
O14 C368 H36F 109.5 . . ?
H36D C368 H36F 109.5 . . ?
H36E C368 H36F 109.5 . . ?
N142 C369 C370 121.8(10) . . ?
N142 C369 H369 119.1 . . ?
C370 C369 H369 119.1 . . ?
C371 C370 C369 115.6(10) . . ?
C371 C370 H370 122.2 . . ?
C369 C370 H370 122.2 . . ?
C370 C371 C372 126.0(11) . . ?
C370 C371 H371 117.0 . . ?
C372 C371 H371 117.0 . . ?
C373 C372 C371 113.7(11) . . ?
C373 C372 H372 123.1 . . ?
C371 C372 H372 123.1 . . ?
N142 C373 C372 124.0(11) . . ?
N142 C373 H373 118.0 . . ?
C372 C373 H373 118.0 . . ?
C383 Pd15 N151 80.6(4) . . ?
C383 Pd15 N152 90.9(4) . . ?
N151 Pd15 N152 170.5(4) . . ?
C383 Pd15 Cl15 175.0(3) . . ?
N151 Pd15 Cl15 94.6(3) . . ?
N152 Pd15 Cl15 94.0(3) . . ?
C388 O15 C385 108.2(9) . . ?
C380 N151 Pd15 114.4(6) . . ?
C380 N151 H15A 108.7 . . ?
Pd15 N151 H15A 108.7 . . ?
C380 N151 H15B 108.7 . . ?
Pd15 N151 H15B 108.7 . . ?
H15A N151 H15B 107.6 . . ?
C389 N152 C393 122.0(11) . . ?
C389 N152 Pd15 121.7(8) . . ?
C393 N152 Pd15 116.3(9) . . ?
C381 C380 N151 115.6(10) . . ?
C381 C380 C382 110.8(10) . . ?
N151 C380 C382 106.4(8) . . ?
C381 C380 H380 107.9 . . ?
N151 C380 H380 107.9 . . ?
C382 C380 H380 107.9 . . ?
C380 C381 H38A 109.4 . . ?
C380 C381 H38B 110.0 . . ?
H38A C381 H38B 109.5 . . ?
C380 C381 H38C 109.0 . . ?
H38A C381 H38C 109.5 . . ?
H38B C381 H38C 109.5 . . ?
C383 C382 C387 119.9(9) . . ?
C383 C382 C380 115.1(8) . . ?
C387 C382 C380 125.0(9) . . ?
C382 C383 C384 118.2(9) . . ?
C382 C383 Pd15 118.0(6) . . ?
C384 C383 Pd15 123.8(7) . . ?
C385 C384 C383 121.0(9) . . ?
C385 C384 H384 119.5 . . ?
C383 C384 H384 119.5 . . ?
C386 C385 C384 122.5(9) . . ?
C386 C385 O15 123.1(9) . . ?
C384 C385 O15 114.1(9) . . ?
C385 C386 C387 117.0(10) . . ?
C385 C386 H386 121.5 . . ?
C387 C386 H386 121.5 . . ?
C382 C387 C386 121.1(10) . . ?
C382 C387 H387 119.4 . . ?
C386 C387 H387 119.4 . . ?
O15 C388 H38D 109.5 . . ?
O15 C388 H38E 109.5 . . ?
H38D C388 H38E 109.5 . . ?
O15 C388 H38F 109.5 . . ?
H38D C388 H38F 109.5 . . ?
H38E C388 H38F 109.5 . . ?
N152 C389 C390 121.9(11) . . ?
N152 C389 H389 119.0 . . ?
C390 C389 H389 119.0 . . ?
C391 C390 C389 110.1(12) . . ?
C391 C390 H390 124.9 . . ?
C389 C390 H390 124.9 . . ?
C390 C391 C392 132.5(13) . . ?
C390 C391 H391 113.8 . . ?
C392 C391 H391 113.8 . . ?
C393 C392 C391 115.6(13) . . ?
C393 C392 H392 122.2 . . ?
C391 C392 H392 122.2 . . ?
C392 C393 N152 117.6(14) . . ?
C392 C393 H393 121.2 . . ?
N152 C393 H393 121.2 . . ?
C403 Pd16 N161 81.9(4) . . ?
C403 Pd16 N162 96.6(4) . . ?
N161 Pd16 N162 177.8(4) . . ?
C403 Pd16 Cl16 173.3(3) . . ?
N161 Pd16 Cl16 91.6(3) . . ?
N162 Pd16 Cl16 90.0(3) . . ?
C405 O16 C408 117.2(10) . . ?
C400 N161 Pd16 108.3(6) . . ?
C400 N161 H16G 110.0 . . ?
Pd16 N161 H16G 110.0 . . ?
C400 N161 H16H 110.0 . . ?
Pd16 N161 H16H 110.0 . . ?
H16G N161 H16H 108.4 . . ?
C409 N162 C413 113.3(9) . . ?
C409 N162 Pd16 118.0(8) . . ?
C413 N162 Pd16 128.6(7) . . ?
C401 C400 N161 120.3(11) . . ?
C401 C400 C402 117.1(10) . . ?
N161 C400 C402 105.6(9) . . ?
C401 C400 H400 103.9 . . ?
N161 C400 H400 103.9 . . ?
C402 C400 H400 103.9 . . ?
C400 C401 H40A 109.5 . . ?
C400 C401 H40B 109.5 . . ?
H40A C401 H40B 109.5 . . ?
C400 C401 H40C 109.5 . . ?
H40A C401 H40C 109.5 . . ?
H40B C401 H40C 109.5 . . ?
C407 C402 C403 119.4(9) . . ?
C407 C402 C400 125.3(9) . . ?
C403 C402 C400 114.9(8) . . ?
C404 C403 C402 121.0(9) . . ?
C404 C403 Pd16 126.1(8) . . ?
C402 C403 Pd16 112.8(7) . . ?
C405 C404 C403 118.6(10) . . ?
C405 C404 H404 120.7 . . ?
C403 C404 H404 120.7 . . ?
C404 C405 O16 123.6(10) . . ?
C404 C405 C406 120.2(10) . . ?
O16 C405 C406 116.0(10) . . ?
C407 C406 C405 121.8(11) . . ?
C407 C406 H406 119.1 . . ?
C405 C406 H406 119.1 . . ?
C406 C407 C402 118.3(11) . . ?
C406 C407 H407 120.8 . . ?
C402 C407 H407 120.8 . . ?
O16 C408 H40D 109.5 . . ?
O16 C408 H40E 109.5 . . ?
H40D C408 H40E 109.5 . . ?
O16 C408 H40F 109.5 . . ?
H40D C408 H40F 109.5 . . ?
H40E C408 H40F 109.5 . . ?
N162 C409 C410 123.3(10) . . ?
N162 C409 H409 118.4 . . ?
C410 C409 H409 118.4 . . ?
C411 C410 C409 119.3(10) . . ?
C411 C410 H410 120.3 . . ?
C409 C410 H410 120.3 . . ?
C410 C411 C412 118.6(11) . . ?
C410 C411 H411 120.7 . . ?
C412 C411 H411 120.7 . . ?
C413 C412 C411 116.4(11) . . ?
C413 C412 H412 121.8 . . ?
C411 C412 H412 121.8 . . ?
N162 C413 C412 128.0(11) . . ?
N162 C413 H413 116.0 . . ?
C412 C413 H413 116.0 . . ?
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 C103 1.975(7) . ?
Pd1 N12 2.039(6) . ?
Pd1 N11 2.042(6) . ?
Pd1 Cl1 2.430(2) . ?
O1 C105 1.394(8) . ?
O1 C108 1.424(9) . ?
N11 C100 1.479(8) . ?
N11 H11A 0.9200 . ?
N11 H11B 0.9200 . ?
N12 C109 1.338(8) . ?
N12 C113 1.347(8) . ?
C100 C101 1.500(7) . ?
C100 C102 1.522(8) . ?
C100 H100 1.0000 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 C103 1.386(8) . ?
C102 C107 1.386(8) . ?
C103 C104 1.405(8) . ?
C104 C105 1.382(8) . ?
C104 H104 0.9500 . ?
C105 C106 1.362(9) . ?
C106 C107 1.380(9) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C108 H10D 0.9800 . ?
C108 H10E 0.9800 . ?
C108 H10F 0.9800 . ?
C109 C110 1.408(9) . ?
C109 H109 0.9500 . ?
C110 C111 1.341(9) . ?
C110 H110 0.9500 . ?
C111 C112 1.376(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.381(9) . ?
C112 H112 0.9500 . ?
C113 H113 0.9500 . ?
Pd2 C123 1.954(7) . ?
Pd2 N21 2.019(6) . ?
Pd2 N22 2.040(6) . ?
Pd2 Cl2 2.419(2) . ?
O2 C125 1.367(7) . ?
O2 C128 1.428(8) . ?
N21 C120 1.490(9) . ?
N21 H21A 0.9200 . ?
N21 H21B 0.9200 . ?
N22 C129 1.322(8) . ?
N22 C133 1.358(8) . ?
C120 C121 1.446(7) . ?
C120 C122 1.521(9) . ?
C120 H120 1.0000 . ?
C121 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C122 C127 1.380(9) . ?
C122 C123 1.406(8) . ?
C123 C124 1.421(8) . ?
C124 C125 1.403(8) . ?
C124 H124 0.9500 . ?
C125 C126 1.355(8) . ?
C126 C127 1.384(9) . ?
C126 H126 0.9500 . ?
C127 H127 0.9500 . ?
C128 H12F 0.9800 . ?
C128 H12G 0.9800 . ?
C128 H12H 0.9800 . ?
C129 C130 1.384(9) . ?
C129 H129 0.9500 . ?
C130 C131 1.374(9) . ?
C130 H130 0.9500 . ?
C131 C132 1.362(9) . ?
C131 H131 0.9500 . ?
C132 C133 1.375(9) . ?
C132 H132 0.9500 . ?
C133 H133 0.9500 . ?
Pd3 C143 1.974(7) . ?
Pd3 N31 2.020(6) . ?
Pd3 N32 2.056(6) . ?
Pd3 Cl3 2.423(2) . ?
O3 C145 1.396(8) . ?
O3 C148 1.421(8) . ?
N31 C140 1.497(7) . ?
N31 H31A 0.9200 . ?
N31 H31B 0.9200 . ?
N32 C153 1.325(8) . ?
N32 C149 1.340(9) . ?
C140 C141 1.506(7) . ?
C140 C142 1.534(8) . ?
C140 H140 1.0000 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C142 C147 1.397(8) . ?
C142 C143 1.397(8) . ?
C143 C144 1.413(8) . ?
C144 C145 1.394(8) . ?
C144 H144 0.9500 . ?
C145 C146 1.369(9) . ?
C146 C147 1.401(9) . ?
C146 H146 0.9500 . ?
C147 H147 0.9500 . ?
C148 H14D 0.9800 . ?
C148 H14E 0.9800 . ?
C148 H14F 0.9800 . ?
C149 C150 1.375(9) . ?
C149 H149 0.9500 . ?
C150 C151 1.334(9) . ?
C150 H150 0.9500 . ?
C151 C152 1.389(10) . ?
C151 H151 0.9500 . ?
C152 C153 1.370(10) . ?
C152 H152 0.9500 . ?
C153 H153 0.9500 . ?
Pd4 C163 1.959(8) . ?
Pd4 N41 2.024(6) . ?
Pd4 N42 2.048(7) . ?
Pd4 Cl4 2.418(2) . ?
O4 C165 1.393(9) . ?
O4 C168 1.428(10) . ?
N41 C160 1.499(8) . ?
N41 H41A 0.9200 . ?
N41 H41B 0.9200 . ?
N42 C173 1.325(9) . ?
N42 C169 1.344(8) . ?
C160 C161 1.483(7) . ?
C160 C162 1.524(9) . ?
C160 H160 1.0000 . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 C167 1.383(9) . ?
C162 C163 1.400(9) . ?
C163 C164 1.406(9) . ?
C164 C165 1.377(9) . ?
C164 H164 0.9500 . ?
C165 C166 1.359(9) . ?
C166 C167 1.411(9) . ?
C166 H166 0.9500 . ?
C167 H167 0.9500 . ?
C168 H16D 0.9800 . ?
C168 H16E 0.9800 . ?
C168 H16F 0.9800 . ?
C169 C170 1.404(9) . ?
C169 H169 0.9500 . ?
C170 C171 1.379(10) . ?
C170 H170 0.9500 . ?
C171 C172 1.372(9) . ?
C171 H171 0.9500 . ?
C172 C173 1.375(9) . ?
C172 H172 0.9500 . ?
C173 H173 0.9500 . ?
Pd5 C183 1.962(7) . ?
Pd5 N52 2.038(7) . ?
Pd5 N51 2.057(6) . ?
Pd5 Cl5 2.423(2) . ?
O5 C185 1.402(8) . ?
O5 C188 1.402(9) . ?
N51 C180 1.496(8) . ?
N51 H51A 0.9200 . ?
N51 H51B 0.9200 . ?
N52 C193 1.346(8) . ?
N52 C189 1.371(9) . ?
C180 C181 1.476(7) . ?
C180 C182 1.510(9) . ?
C180 H180 1.0000 . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 C187 1.385(9) . ?
C182 C183 1.412(8) . ?
C183 C184 1.383(9) . ?
C184 C185 1.402(9) . ?
C184 H184 0.9500 . ?
C185 C186 1.350(9) . ?
C186 C187 1.381(9) . ?
C186 H186 0.9500 . ?
C187 H187 0.9500 . ?
C188 H18D 0.9800 . ?
C188 H18E 0.9800 . ?
C188 H18F 0.9800 . ?
C189 C190 1.393(10) . ?
C189 H189 0.9500 . ?
C190 C191 1.358(10) . ?
C190 H190 0.9500 . ?
C191 C192 1.382(10) . ?
C191 H191 0.9500 . ?
C192 C193 1.384(10) . ?
C192 H192 0.9500 . ?
C193 H193 0.9500 . ?
Pd6 C203 1.957(7) . ?
Pd6 N62 1.991(6) . ?
Pd6 N61 2.030(7) . ?
Pd6 Cl6 2.420(2) . ?
O6 C208 1.332(9) . ?
O6 C205 1.379(9) . ?
N61 C200 1.497(8) . ?
N61 H61A 0.9200 . ?
N61 H61B 0.9200 . ?
N62 C213 1.329(8) . ?
N62 C209 1.335(9) . ?
C200 C201 1.469(7) . ?
C200 C202 1.516(9) . ?
C200 H200 1.0000 . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
C202 C207 1.382(9) . ?
C202 C203 1.398(9) . ?
C203 C204 1.425(9) . ?
C204 C205 1.384(9) . ?
C204 H204 0.9500 . ?
C205 C206 1.343(10) . ?
C206 C207 1.362(10) . ?
C206 H206 0.9500 . ?
C207 H207 0.9500 . ?
C208 H20D 0.9800 . ?
C208 H20E 0.9800 . ?
C208 H20F 0.9800 . ?
C209 C210 1.381(9) . ?
C209 H209 0.9500 . ?
C210 C211 1.344(9) . ?
C210 H210 0.9500 . ?
C211 C212 1.385(10) . ?
C211 H211 0.9500 . ?
C212 C213 1.363(9) . ?
C212 H212 0.9500 . ?
C213 H213 0.9500 . ?
Pd7 C223 1.970(7) . ?
Pd7 N72 2.036(6) . ?
Pd7 N71 2.037(6) . ?
Pd7 Cl7 2.426(2) . ?
O7 C225 1.386(8) . ?
O7 C228 1.408(9) . ?
N71 C220 1.518(8) . ?
N71 H71A 0.9200 . ?
N71 H71B 0.9200 . ?
N72 C229 1.345(8) . ?
N72 C233 1.357(8) . ?
C220 C221 1.461(7) . ?
C220 C222 1.492(9) . ?
C220 H220 1.0000 . ?
C221 H22A 0.9800 . ?
C221 H22B 0.9800 . ?
C221 H22C 0.9800 . ?
C222 C223 1.385(8) . ?
C222 C227 1.424(8) . ?
C223 C224 1.400(9) . ?
C224 C225 1.402(9) . ?
C224 H224 0.9500 . ?
C225 C226 1.339(9) . ?
C226 C227 1.416(9) . ?
C226 H226 0.9500 . ?
C227 H227 0.9500 . ?
C228 H22D 0.9800 . ?
C228 H22E 0.9800 . ?
C228 H22F 0.9800 . ?
C229 C230 1.412(9) . ?
C229 H229 0.9500 . ?
C230 C231 1.375(9) . ?
C230 H230 0.9500 . ?
C231 C232 1.379(9) . ?
C231 H231 0.9500 . ?
C232 C233 1.362(9) . ?
C232 H232 0.9500 . ?
C233 H233 0.9500 . ?
Pd8 C243 1.955(8) . ?
Pd8 N82 2.026(8) . ?
Pd8 N81 2.043(9) . ?
Pd8 Cl8 2.406(3) . ?
O8 C245 1.380(9) . ?
O8 C248 1.412(10) . ?
N81 C240 1.506(10) . ?
N81 H81A 0.9200 . ?
N81 H81B 0.9200 . ?
N82 C249 1.328(10) . ?
N82 C253 1.336(9) . ?
C240 C241 1.475(7) . ?
C240 C242 1.494(9) . ?
C240 H240 1.0000 . ?
C241 H24A 0.9800 . ?
C241 H24B 0.9800 . ?
C241 H24C 0.9800 . ?
C242 C247 1.393(10) . ?
C242 C243 1.394(9) . ?
C243 C244 1.391(9) . ?
C244 C245 1.384(9) . ?
C244 H244 0.9500 . ?
C245 C246 1.358(10) . ?
C246 C247 1.367(10) . ?
C246 H246 0.9500 . ?
C247 H247 0.9500 . ?
C248 H24D 0.9800 . ?
C248 H24E 0.9800 . ?
C248 H24F 0.9800 . ?
C249 C250 1.410(11) . ?
C249 H249 0.9500 . ?
C250 C251 1.345(11) . ?
C250 H250 0.9500 . ?
C251 C252 1.386(11) . ?
C251 H251 0.9500 . ?
C252 C253 1.391(10) . ?
C252 H252 0.9500 . ?
C253 H253 0.9500 . ?
Pd9 C263 1.978(8) . ?
Pd9 N91 2.029(8) . ?
Pd9 N92 2.051(7) . ?
Pd9 Cl9 2.417(3) . ?
O9 C265 1.394(9) . ?
O9 C268 1.406(10) . ?
N91 C260 1.484(9) . ?
N91 H91A 0.9200 . ?
N91 H91B 0.9200 . ?
N92 C269 1.323(9) . ?
N92 C273 1.338(9) . ?
C260 C261 1.471(7) . ?
C260 C262 1.514(9) . ?
C260 H260 1.0000 . ?
C261 H26A 0.9800 . ?
C261 H26B 0.9800 . ?
C261 H26C 0.9800 . ?
C262 C263 1.395(9) . ?
C262 C267 1.398(9) . ?
C263 C264 1.408(9) . ?
C264 C265 1.401(9) . ?
C264 H264 0.9500 . ?
C265 C266 1.373(10) . ?
C266 C267 1.369(10) . ?
C266 H266 0.9500 . ?
C267 H267 0.9500 . ?
C268 H26D 0.9800 . ?
C268 H26E 0.9800 . ?
C268 H26F 0.9800 . ?
C269 C270 1.396(10) . ?
C269 H269 0.9500 . ?
C270 C271 1.336(10) . ?
C270 H270 0.9500 . ?
C271 C272 1.391(10) . ?
C271 H271 0.9500 . ?
C272 C273 1.374(10) . ?
C272 H272 0.9500 . ?
C273 H273 0.9500 . ?
Pd10 C283 1.995(7) . ?
Pd10 N102 2.023(6) . ?
Pd10 N101 2.043(6) . ?
Pd10 Cl10 2.415(2) . ?
O10 C285 1.400(8) . ?
O10 C288 1.415(9) . ?
N101 C280 1.532(8) . ?
N101 H10G 0.9200 . ?
N101 H10H 0.9200 . ?
N102 C289 1.338(8) . ?
N102 C293 1.340(8) . ?
C280 C281 1.500(7) . ?
C280 C282 1.530(9) . ?
C280 H280 1.0000 . ?
C281 H28A 0.9800 . ?
C281 H28B 0.9800 . ?
C281 H28C 0.9800 . ?
C282 C287 1.403(9) . ?
C282 C283 1.416(8) . ?
C283 C284 1.389(8) . ?
C284 C285 1.386(8) . ?
C284 H284 0.9500 . ?
C285 C286 1.394(9) . ?
C286 C287 1.385(9) . ?
C286 H286 0.9500 . ?
C287 H287 0.9500 . ?
C288 H28D 0.9800 . ?
C288 H28E 0.9800 . ?
C288 H28F 0.9800 . ?
C289 C290 1.394(9) . ?
C289 H289 0.9500 . ?
C290 C291 1.359(9) . ?
C290 H290 0.9500 . ?
C291 C292 1.379(9) . ?
C291 H291 0.9500 . ?
C292 C293 1.376(8) . ?
C292 H292 0.9500 . ?
C293 H293 0.9500 . ?
Pd11 C303 1.952(8) . ?
Pd11 N111 2.019(7) . ?
Pd11 N112 2.033(8) . ?
Pd11 Cl11 2.418(3) . ?
O11 C305 1.398(9) . ?
O11 C308 1.447(10) . ?
N111 C300 1.516(8) . ?
N111 H11C 0.9200 . ?
N111 H11D 0.9200 . ?
N112 C309 1.342(9) . ?
N112 C313 1.347(9) . ?
C300 C301 1.494(7) . ?
C300 C302 1.499(8) . ?
C300 H300 1.0000 . ?
C301 H30A 0.9800 . ?
C301 H30B 0.9800 . ?
C301 H30C 0.9800 . ?
C302 C307 1.388(9) . ?
C302 C303 1.414(9) . ?
C303 C304 1.407(9) . ?
C304 C305 1.398(9) . ?
C304 H304 0.9500 . ?
C305 C306 1.373(9) . ?
C306 C307 1.390(9) . ?
C306 H306 0.9500 . ?
C307 H307 0.9500 . ?
C308 H30D 0.9800 . ?
C308 H30E 0.9800 . ?
C308 H30F 0.9800 . ?
C309 C310 1.392(10) . ?
C309 H309 0.9500 . ?
C310 C311 1.364(10) . ?
C310 H310 0.9500 . ?
C311 C312 1.382(10) . ?
C311 H311 0.9500 . ?
C312 C313 1.363(10) . ?
C312 H312 0.9500 . ?
C313 H313 0.9500 . ?
Pd12 C323 1.964(8) . ?
Pd12 N121 1.991(8) . ?
Pd12 N122 2.041(7) . ?
Pd12 Cl12 2.408(3) . ?
O12 C328 1.387(10) . ?
O12 C325 1.403(9) . ?
N121 C320 1.505(9) . ?
N121 H12A 0.9200 . ?
N121 H12B 0.9200 . ?
N122 C329 1.335(9) . ?
N122 C333 1.362(8) . ?
C320 C321 1.442(7) . ?
C320 C322 1.520(9) . ?
C320 H320 1.0000 . ?
C321 H32A 0.9800 . ?
C321 H32B 0.9800 . ?
C321 H32C 0.9800 . ?
C322 C327 1.407(10) . ?
C322 C323 1.409(9) . ?
C323 C324 1.424(9) . ?
C324 C325 1.396(9) . ?
C324 H324 0.9500 . ?
C325 C326 1.365(9) . ?
C326 C327 1.378(10) . ?
C326 H326 0.9500 . ?
C327 H327 0.9500 . ?
C328 H32D 0.9800 . ?
C328 H32E 0.9800 . ?
C328 H32F 0.9800 . ?
C329 C330 1.398(10) . ?
C329 H329 0.9500 . ?
C330 C331 1.358(10) . ?
C330 H330 0.9500 . ?
C331 C332 1.385(10) . ?
C331 H331 0.9500 . ?
C332 C333 1.373(10) . ?
C332 H332 0.9500 . ?
C333 H333 0.9500 . ?
Pd13 C343 1.913(8) . ?
Pd13 N132 2.031(7) . ?
Pd13 N131 2.050(7) . ?
Pd13 Cl13 2.414(3) . ?
O13 C345 1.402(9) . ?
O13 C348 1.457(11) . ?
N131 C340 1.497(9) . ?
N131 H13A 0.9200 . ?
N131 H13B 0.9200 . ?
N132 C353 1.323(10) . ?
N132 C349 1.364(10) . ?
C340 C341 1.463(7) . ?
C340 C342 1.502(9) . ?
C340 H340 1.0000 . ?
C341 H34A 0.9800 . ?
C341 H34B 0.9800 . ?
C341 H34C 0.9800 . ?
C342 C343 1.380(9) . ?
C342 C347 1.392(10) . ?
C343 C344 1.405(9) . ?
C344 C345 1.387(10) . ?
C344 H344 0.9500 . ?
C345 C346 1.350(10) . ?
C346 C347 1.377(10) . ?
C346 H346 0.9500 . ?
C347 H347 0.9500 . ?
C348 H34D 0.9800 . ?
C348 H34E 0.9800 . ?
C348 H34F 0.9800 . ?
C349 C350 1.410(10) . ?
C349 H349 0.9500 . ?
C350 C351 1.374(11) . ?
C350 H350 0.9500 . ?
C351 C352 1.401(11) . ?
C351 H351 0.9500 . ?
C352 C353 1.384(10) . ?
C352 H352 0.9500 . ?
C353 H353 0.9500 . ?
Pd14 C363 1.907(9) . ?
Pd14 N142 2.035(7) . ?
Pd14 N141 2.040(7) . ?
Pd14 Cl14 2.401(3) . ?
O14 C365 1.436(10) . ?
O14 C368 1.466(12) . ?
N141 C360 1.504(9) . ?
N141 H14G 0.9200 . ?
N141 H14H 0.9200 . ?
N142 C373 1.319(11) . ?
N142 C369 1.363(10) . ?
C360 C361 1.468(7) . ?
C360 C362 1.519(9) . ?
C360 H360 1.0000 . ?
C361 H36A 0.9800 . ?
C361 H36B 0.9800 . ?
C361 H36C 0.9800 . ?
C362 C363 1.389(10) . ?
C362 C367 1.389(10) . ?
C363 C364 1.427(10) . ?
C364 C365 1.391(10) . ?
C364 H364 0.9500 . ?
C365 C366 1.350(11) . ?
C366 C367 1.402(11) . ?
C366 H366 0.9500 . ?
C367 H367 0.9500 . ?
C368 H36D 0.9800 . ?
C368 H36E 0.9800 . ?
C368 H36F 0.9800 . ?
C369 C370 1.418(10) . ?
C369 H369 0.9500 . ?
C370 C371 1.316(11) . ?
C370 H370 0.9500 . ?
C371 C372 1.401(11) . ?
C371 H371 0.9500 . ?
C372 C373 1.397(11) . ?
C372 H372 0.9500 . ?
C373 H373 0.9500 . ?
Pd15 C383 1.958(10) . ?
Pd15 N151 2.019(9) . ?
Pd15 N152 2.053(9) . ?
Pd15 Cl15 2.423(4) . ?
O15 C388 1.395(11) . ?
O15 C385 1.427(9) . ?
N151 C380 1.494(11) . ?
N151 H15A 0.9200 . ?
N151 H15B 0.9200 . ?
N152 C389 1.370(11) . ?
N152 C393 1.437(17) . ?
C380 C381 1.467(8) . ?
C380 C382 1.541(10) . ?
C380 H380 1.0000 . ?
C381 H38A 0.9800 . ?
C381 H38B 0.9801 . ?
C381 H38C 0.9800 . ?
C382 C383 1.373(10) . ?
C382 C387 1.389(11) . ?
C383 C384 1.395(10) . ?
C384 C385 1.371(10) . ?
C384 H384 0.9500 . ?
C385 C386 1.337(11) . ?
C386 C387 1.427(11) . ?
C386 H386 0.9500 . ?
C387 H387 0.9500 . ?
C388 H38D 0.9800 . ?
C388 H38E 0.9800 . ?
C388 H38F 0.9800 . ?
C389 C390 1.411(11) . ?
C389 H389 0.9500 . ?
C390 C391 1.351(12) . ?
C390 H390 0.9500 . ?
C391 C392 1.375(12) . ?
C391 H391 0.9500 . ?
C392 C393 1.338(17) . ?
C392 H392 0.9500 . ?
C393 H393 0.9500 . ?
Pd16 C403 1.991(10) . ?
Pd16 N161 2.012(9) . ?
Pd16 N162 2.021(8) . ?
Pd16 Cl16 2.444(4) . ?
O16 C405 1.391(10) . ?
O16 C408 1.429(12) . ?
N161 C400 1.499(11) . ?
N161 H16G 0.9200 . ?
N161 H16H 0.9200 . ?
N162 C409 1.330(10) . ?
N162 C413 1.334(11) . ?
C400 C401 1.461(8) . ?
C400 C402 1.529(10) . ?
C400 H400 1.0000 . ?
C401 H40A 0.9800 . ?
C401 H40B 0.9800 . ?
C401 H40C 0.9800 . ?
C402 C407 1.398(11) . ?
C402 C403 1.410(11) . ?
C403 C404 1.394(10) . ?
C404 C405 1.389(11) . ?
C404 H404 0.9500 . ?
C405 C406 1.393(11) . ?
C406 C407 1.384(11) . ?
C406 H406 0.9500 . ?
C407 H407 0.9500 . ?
C408 H40D 0.9800 . ?
C408 H40E 0.9800 . ?
C408 H40F 0.9800 . ?
C409 C410 1.400(11) . ?
C409 H409 0.9500 . ?
C410 C411 1.356(11) . ?
C410 H410 0.9500 . ?
C411 C412 1.379(11) . ?
C411 H411 0.9500 . ?
C412 C413 1.354(11) . ?
C412 H412 0.9500 . ?
C413 H413 0.9500 . ?
