#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:03:15 +0100 (vie 25 de mar de 2016) $
#$Revision: 179738 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/34/7003425.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_7003425
loop_
_publ_author_name
'Zhao, Chang-Qiu'
'Jennings, Michael C.'
'Puddephatt, Richard J.'
_publ_section_title
;
 A hemilabile binucleating pincer ligand for self-assembly of
 coordination oligomers and polymers
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1243
_journal_page_last               1250
_journal_paper_doi               10.1039/b716035f
_journal_year                    2008
_chemical_formula_moiety
'C124 H120 Cl6 N4 P8 Pd4, 2(C2 H4 Cl2), 2(C H2 Cl2), 6(C H Cl3)'
_chemical_formula_sum            'C136 H138 Cl34 N4 P8 Pd4'
_chemical_formula_weight         3707.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.2640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.9810(2)
_cell_length_b                   12.3410(2)
_cell_length_c                   41.0338(7)
_cell_measurement_reflns_used    16991
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.55
_cell_volume                     7987.2(2)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            58815
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.56
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  0.8042
_exptl_absorpt_correction_T_min  0.7262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3728
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.498
_refine_diff_density_min         -1.905
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     769
_refine_ls_number_reflns         13870
_refine_ls_number_restraints     252
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0809
_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)+(0.1343P)²+40.3441P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2240
_refine_ls_wR_factor_ref         0.2418
_reflns_number_gt                10181
_reflns_number_total             13870
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b716035f.txt
_cod_data_source_block           03025
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7003425
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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 0.35299(4) 0.49308(5) 0.672084(16) 0.0535(2) Uani 1 1 d U . .
Cl1 Cl 0.48648(15) 0.4283(2) 0.69122(6) 0.0709(7) Uani 1 1 d U . .
P1 P 0.29808(16) 0.4358(2) 0.71743(6) 0.0596(6) Uani 1 1 d U . .
C11 C 0.1853(6) 0.4539(8) 0.7020(2) 0.059(2) Uani 1 1 d U . .
H11A H 0.1629 0.3909 0.6884 0.071 Uiso 1 1 calc R . .
H11B H 0.1533 0.4609 0.7206 0.071 Uiso 1 1 calc R . .
C12 C 0.1765(6) 0.5555(8) 0.6815(2) 0.059(2) Uani 1 1 d U . .
H12A H 0.1966 0.6186 0.6955 0.071 Uiso 1 1 calc R . .
H12B H 0.1162 0.5674 0.6721 0.071 Uiso 1 1 calc R . .
P2 P 0.39129(15) 0.59140(19) 0.62942(6) 0.0594(6) Uani 1 1 d U . .
C21 C 0.2892(5) 0.6463(7) 0.6105(2) 0.0556(19) Uani 1 1 d U . .
H21A H 0.2967 0.7185 0.6009 0.067 Uiso 1 1 calc R . .
H21B H 0.2619 0.5977 0.5928 0.067 Uiso 1 1 calc R . .
C22 C 0.2351(6) 0.6553(7) 0.6373(2) 0.0557(19) Uani 1 1 d U . .
H22A H 0.1777 0.6809 0.6278 0.067 Uiso 1 1 calc R . .
H22B H 0.2604 0.7087 0.6541 0.067 Uiso 1 1 calc R . .
N1 N 0.2288(4) 0.5443(5) 0.65375(16) 0.0510(14) Uani 1 1 d U . .
C2 C 0.1857(5) 0.4667(7) 0.62904(18) 0.0470(17) Uani 1 1 d U . .
C3 C 0.2236(5) 0.3689(7) 0.62399(19) 0.0468(17) Uani 1 1 d U . .
H3A H 0.2780 0.3527 0.6361 0.056 Uiso 1 1 calc R . .
C4 C 0.1840(5) 0.2944(7) 0.60172(18) 0.0456(17) Uani 1 1 d U . .
H4A H 0.2112 0.2273 0.5990 0.055 Uiso 1 1 calc R . .
C5 C 0.1041(4) 0.3156(6) 0.58289(18) 0.0418(16) Uani 1 1 d U . .
C6 C 0.0675(5) 0.4156(6) 0.58868(19) 0.0462(17) Uani 1 1 d U . .
H6A H 0.0136 0.4334 0.5765 0.055 Uiso 1 1 calc R . .
C7 C 0.1065(5) 0.4883(6) 0.61121(18) 0.0469(17) Uani 1 1 d U . .
H7A H 0.0789 0.5544 0.6147 0.056 Uiso 1 1 calc R . .
N8 N 0.0658(4) 0.2430(5) 0.56019(16) 0.0455(14) Uani 1 1 d U . .
Pd2 Pd -0.21366(3) 0.09128(4) 0.496370(13) 0.03599(17) Uani 1 1 d U . .
Cl3 Cl -0.32661(11) 0.18455(16) 0.46770(5) 0.0475(5) Uani 1 1 d U . .
Cl4 Cl -0.09995(12) -0.00098(15) 0.52462(5) 0.0475(4) Uani 1 1 d U . .
P3 P 0.25814(11) 0.06766(16) 0.53075(4) 0.0369(4) Uani 1 1 d U . .
C31 C 0.1803(4) 0.1747(6) 0.53177(18) 0.0390(15) Uani 1 1 d U . .
H31A H 0.2097 0.2412 0.5410 0.047 Uiso 1 1 calc R . .
H31B H 0.1528 0.1909 0.5089 0.047 Uiso 1 1 calc R . .
C32 C 0.1113(4) 0.1445(6) 0.55264(18) 0.0402(16) Uani 1 1 d U . .
H32A H 0.0708 0.0926 0.5403 0.048 Uiso 1 1 calc R . .
H32B H 0.1378 0.1094 0.5734 0.048 Uiso 1 1 calc R . .
P4 P -0.19342(11) 0.22596(15) 0.53605(5) 0.0375(4) Uani 1 1 d U . .
C41 C -0.0881(4) 0.2355(6) 0.56069(17) 0.0397(15) Uani 1 1 d U . .
H41A H -0.0891 0.2921 0.5777 0.048 Uiso 1 1 calc R . .
H41B H -0.0747 0.1657 0.5723 0.048 Uiso 1 1 calc R . .
C42 C -0.0174(4) 0.2621(6) 0.54088(17) 0.0403(16) Uani 1 1 d U . .
H42A H -0.0242 0.2168 0.5207 0.048 Uiso 1 1 calc R . .
H42B H -0.0220 0.3390 0.5340 0.048 Uiso 1 1 calc R . .
C1A C 0.3242(4) 0.5360(5) 0.74966(14) 0.065(2) Uani 1 1 d GU . .
C1B C 0.4046(4) 0.5820(6) 0.75404(15) 0.072(2) Uani 1 1 d GU . .
H1BA H 0.4455 0.5572 0.7413 0.086 Uiso 1 1 calc R . .
C1C C 0.4252(4) 0.6644(6) 0.77703(16) 0.080(3) Uani 1 1 d GU . .
H1CA H 0.4802 0.6959 0.7800 0.097 Uiso 1 1 calc R . .
C1D C 0.3655(5) 0.7007(6) 0.79565(17) 0.106(5) Uani 1 1 d GU . .
H1DA H 0.3796 0.7570 0.8114 0.127 Uiso 1 1 calc R . .
C1E C 0.2851(5) 0.6546(7) 0.79128(19) 0.128(6) Uani 1 1 d GU . .
H1EA H 0.2442 0.6795 0.8040 0.153 Uiso 1 1 calc R . .
C1F C 0.2644(4) 0.5723(7) 0.76828(17) 0.110(5) Uani 1 1 d GU . .
H1FA H 0.2095 0.5408 0.7653 0.132 Uiso 1 1 calc R . .
C1G C 0.3163(5) 0.3011(5) 0.73479(18) 0.070(2) Uani 1 1 d GU . .
C1H C 0.3279(6) 0.2162(6) 0.71371(17) 0.107(4) Uani 1 1 d GU . .
H1HA H 0.3256 0.2294 0.6908 0.129 Uiso 1 1 calc R . .
C1I C 0.3429(6) 0.1121(5) 0.7262(3) 0.144(6) Uani 1 1 d GU . .
H1IA H 0.3508 0.0540 0.7118 0.173 Uiso 1 1 calc R . .
C1J C 0.3463(6) 0.0928(6) 0.7598(3) 0.118(4) Uani 1 1 d GU . .
H1JA H 0.3565 0.0216 0.7683 0.141 Uiso 1 1 calc R . .
C1K C 0.3347(7) 0.1777(8) 0.78084(17) 0.153(7) Uani 1 1 d GU . .
H1KA H 0.3370 0.1646 0.8038 0.184 Uiso 1 1 calc R . .
C1L C 0.3197(7) 0.2819(6) 0.76836(16) 0.156(8) Uani 1 1 d GU . .
H1LA H 0.3118 0.3399 0.7828 0.187 Uiso 1 1 calc R . .
C2A C 0.4395(4) 0.5290(6) 0.59719(16) 0.067(2) Uani 1 1 d GU . .
C2B C 0.5039(5) 0.4539(8) 0.6062(2) 0.177(9) Uani 1 1 d GU . .
H2BA H 0.5229 0.4385 0.6289 0.212 Uiso 1 1 calc R . .
C2C C 0.5404(6) 0.4012(8) 0.5820(3) 0.192(10) Uani 1 1 d GU . .
H2CA H 0.5844 0.3499 0.5882 0.230 Uiso 1 1 calc R . .
C2D C 0.5126(7) 0.4237(8) 0.5489(2) 0.132(5) Uani 1 1 d GU . .
H2DA H 0.5375 0.3877 0.5323 0.159 Uiso 1 1 calc R . .
C2E C 0.4482(6) 0.4989(9) 0.53986(16) 0.128(5) Uani 1 1 d GU . .
H2EA H 0.4292 0.5142 0.5172 0.154 Uiso 1 1 calc R . .
C2F C 0.4117(5) 0.5515(7) 0.56402(18) 0.100(4) Uani 1 1 d GU . .
H2FA H 0.3677 0.6029 0.5579 0.120 Uiso 1 1 calc R . .
C2G C 0.4532(4) 0.7098(5) 0.64630(16) 0.069(2) Uani 1 1 d GU . .
C2H C 0.5037(5) 0.7630(6) 0.62675(14) 0.100(4) Uani 1 1 d GU . .
H2HA H 0.5077 0.7361 0.6054 0.119 Uiso 1 1 calc R . .
C2I C 0.5481(5) 0.8556(6) 0.63848(18) 0.098(4) Uani 1 1 d GU . .
H2IA H 0.5826 0.8919 0.6251 0.118 Uiso 1 1 calc R . .
C2J C 0.5422(5) 0.8949(5) 0.66977(19) 0.086(3) Uani 1 1 d GU . .
H2JA H 0.5726 0.9582 0.6778 0.103 Uiso 1 1 calc R . .
C2K C 0.4918(5) 0.8417(5) 0.68932(14) 0.081(3) Uani 1 1 d GU . .
H2KA H 0.4877 0.8686 0.7107 0.098 Uiso 1 1 calc R . .
C2L C 0.4473(4) 0.7491(5) 0.67759(15) 0.069(2) Uani 1 1 d GU . .
H2LA H 0.4128 0.7128 0.6909 0.083 Uiso 1 1 calc R . .
C3A C 0.3296(3) 0.1201(5) 0.50414(11) 0.0440(16) Uani 1 1 d GU . .
C3B C 0.2961(2) 0.1621(5) 0.47335(12) 0.0533(19) Uani 1 1 d GU . .
H3BA H 0.2365 0.1683 0.4670 0.064 Uiso 1 1 calc R . .
C3C C 0.3500(4) 0.1950(5) 0.45180(11) 0.067(2) Uani 1 1 d GU . .
H3CA H 0.3271 0.2236 0.4308 0.081 Uiso 1 1 calc R . .
C3D C 0.4373(3) 0.1859(6) 0.46103(15) 0.076(3) Uani 1 1 d GU . .
H3DA H 0.4741 0.2083 0.4463 0.091 Uiso 1 1 calc R . .
C3E C 0.4707(2) 0.1439(7) 0.49181(16) 0.088(3) Uani 1 1 d GU . .
H3EA H 0.5304 0.1377 0.4981 0.106 Uiso 1 1 calc R . .
C3F C 0.4169(3) 0.1110(6) 0.51337(12) 0.070(3) Uani 1 1 d GU . .
H3FA H 0.4397 0.0823 0.5344 0.084 Uiso 1 1 calc R . .
C3G C 0.3168(3) 0.0730(4) 0.57271(10) 0.0435(16) Uani 1 1 d GU . .
C3H C 0.3070(4) -0.0096(4) 0.59480(14) 0.065(2) Uani 1 1 d GU . .
H3HA H 0.2742 -0.0718 0.5875 0.079 Uiso 1 1 calc R . .
C3I C 0.3453(5) -0.0014(5) 0.62762(13) 0.096(4) Uani 1 1 d GU . .
H3IA H 0.3386 -0.0579 0.6427 0.116 Uiso 1 1 calc R . .
C3J C 0.3933(5) 0.0895(6) 0.63834(10) 0.092(3) Uani 1 1 d GU . .
H3JA H 0.4194 0.0952 0.6608 0.111 Uiso 1 1 calc R . .
C3K C 0.4030(4) 0.1722(5) 0.61624(15) 0.073(2) Uani 1 1 d GU . .
H3KA H 0.4358 0.2343 0.6236 0.088 Uiso 1 1 calc R . .
C3L C 0.3648(3) 0.1639(4) 0.58343(13) 0.056(2) Uani 1 1 d GU . .
H3LA H 0.3714 0.2204 0.5683 0.067 Uiso 1 1 calc R . .
C4A C -0.2180(3) 0.3637(3) 0.52237(13) 0.0426(16) Uani 1 1 d GU . .
C4B C -0.2680(4) 0.4311(4) 0.53842(13) 0.067(3) Uani 1 1 d GU . .
H4BA H -0.2903 0.4052 0.5571 0.081 Uiso 1 1 calc R . .
C4C C -0.2852(4) 0.5363(4) 0.52721(17) 0.086(4) Uani 1 1 d GU . .
H4CA H -0.3193 0.5823 0.5382 0.103 Uiso 1 1 calc R . .
C4D C -0.2524(4) 0.5741(3) 0.49994(17) 0.079(3) Uani 1 1 d GU . .
H4DA H -0.2642 0.6460 0.4923 0.095 Uiso 1 1 calc R . .
C4E C -0.2024(4) 0.5067(4) 0.48389(13) 0.064(2) Uani 1 1 d GU . .
H4EA H -0.1801 0.5326 0.4653 0.076 Uiso 1 1 calc R . .
C4F C -0.1852(3) 0.4015(4) 0.49511(13) 0.0506(18) Uani 1 1 d GU . .
H4FA H -0.1511 0.3555 0.4841 0.061 Uiso 1 1 calc R . .
C4G C -0.2616(3) 0.1934(4) 0.56651(10) 0.0398(15) Uani 1 1 d GU . .
C4H C -0.2459(3) 0.2380(4) 0.59802(12) 0.057(2) Uani 1 1 d GU . .
H4HA H -0.2003 0.2874 0.6037 0.068 Uiso 1 1 calc R . .
C4I C -0.2969(4) 0.2102(5) 0.62115(9) 0.062(2) Uani 1 1 d GU . .
H4IA H -0.2862 0.2407 0.6427 0.074 Uiso 1 1 calc R . .
C4J C -0.3636(3) 0.1380(5) 0.61279(11) 0.055(2) Uani 1 1 d GU . .
H4JA H -0.3985 0.1190 0.6286 0.066 Uiso 1 1 calc R . .
C4K C -0.3793(3) 0.0934(4) 0.58128(13) 0.055(2) Uani 1 1 d GU . .
H4KA H -0.4249 0.0440 0.5756 0.066 Uiso 1 1 calc R . .
C4L C -0.3283(3) 0.1212(4) 0.55814(9) 0.0479(18) Uani 1 1 d GU . .
H4LA H -0.3391 0.0907 0.5366 0.058 Uiso 1 1 calc R . .
Cl99 Cl 0.00720(17) 0.7247(2) 0.65494(6) 0.0765(7) Uani 1 1 d . . .
Cl51 Cl 0.2364(6) 0.8535(4) 0.71104(17) 0.202(3) Uani 1 1 d DU . .
C52A C 0.146(2) 0.934(5) 0.700(2) 0.34(4) Uani 0.60 1 d PDU A 1
H52A H 0.0963 0.8853 0.6981 0.403 Uiso 0.60 1 calc PR A 1
H52B H 0.1429 0.9840 0.7184 0.403 Uiso 0.60 1 calc PR A 1
C53A C 0.136(4) 1.002(5) 0.668(2) 0.58(10) Uani 0.60 1 d PDU A 1
H53A H 0.1264 0.9485 0.6501 0.696 Uiso 0.60 1 calc PR A 1
H53B H 0.1921 1.0337 0.6679 0.696 Uiso 0.60 1 calc PR A 1
Cl54 Cl 0.065(5) 1.104(5) 0.6564(18) 0.92(8) Uani 0.60 1 d PDU A 1
C52B C 0.157(3) 0.934(6) 0.6892(9) 0.23(3) Uani 0.40 1 d PDU A 2
H52C H 0.1018 0.8991 0.6901 0.281 Uiso 0.40 1 calc PR A 2
H52D H 0.1572 1.0047 0.7007 0.281 Uiso 0.40 1 calc PR A 2
C53B C 0.164(3) 0.956(3) 0.6528(9) 0.127(8) Uani 0.40 1 d PDU A 2
H53C H 0.1330 0.9013 0.6378 0.152 Uiso 0.40 1 calc PR A 2
H53D H 0.2230 0.9618 0.6490 0.152 Uiso 0.40 1 calc PR A 2
Cl55 Cl 0.113(3) 1.078(3) 0.6498(15) 0.50(4) Uani 0.40 1 d PDU A 2
C61 C -0.0006(6) -0.2194(9) 0.5709(2) 0.086(3) Uani 1 1 d DU . .
H61A H -0.0336 -0.1519 0.5656 0.103 Uiso 1 1 calc R . .
H61B H -0.0009 -0.2375 0.5943 0.103 Uiso 1 1 calc R . .
Cl62 Cl -0.0485(2) -0.3293(3) 0.54460(10) 0.1188(13) Uani 1 1 d DU . .
Cl63 Cl 0.10603(19) -0.2000(3) 0.56387(7) 0.0907(9) Uani 1 1 d DU . .
C71 C -0.1309(10) 0.5124(14) 0.6518(3) 0.174(5) Uani 1 1 d DU . .
H71A H -0.0984 0.5766 0.6619 0.209 Uiso 1 1 calc R . .
Cl72 Cl -0.2163(6) 0.4806(7) 0.6727(2) 0.255(4) Uani 1 1 d DU . .
Cl73 Cl -0.1621(5) 0.5289(5) 0.60871(15) 0.209(3) Uani 1 1 d DU . .
Cl74 Cl -0.0678(5) 0.3953(5) 0.65543(13) 0.178(2) Uani 1 1 d DU . .
C81 C -0.0110(9) 0.6992(11) 0.7349(3) 0.139(4) Uani 1 1 d DU . .
H81A H 0.0030 0.7207 0.7129 0.167 Uiso 1 1 calc R . .
Cl82 Cl 0.0555(6) 0.7621(7) 0.76518(18) 0.250(4) Uani 1 1 d DU . .
Cl83 Cl 0.0009(4) 0.5580(4) 0.74021(12) 0.1517(17) Uani 1 1 d DU . .
Cl84 Cl -0.1135(5) 0.7365(7) 0.7375(2) 0.234(3) Uani 1 1 d DU . .
C91 C -0.1413(8) 0.9132(13) 0.6445(3) 0.181(5) Uani 1 1 d DU . .
H91A H -0.0943 0.8590 0.6490 0.217 Uiso 1 1 calc R . .
Cl92 Cl -0.1584(3) 0.9479(3) 0.60371(7) 0.1109(12) Uani 1 1 d DU . .
Cl93 Cl -0.1202(7) 1.0229(11) 0.67032(16) 0.391(7) Uani 1 1 d DU . .
Cl94 Cl -0.2351(5) 0.8561(14) 0.6508(3) 0.422(8) Uani 1 1 d DU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
N1 Pd1 P2 85.4(2) . . ?
N1 Pd1 P1 85.4(2) . . ?
P2 Pd1 P1 165.21(10) . . ?
N1 Pd1 Cl1 177.1(2) . . ?
P2 Pd1 Cl1 95.62(9) . . ?
P1 Pd1 Cl1 94.07(10) . . ?
C1A P1 C1G 109.6(4) . . ?
C1A P1 C11 105.6(4) . . ?
C1G P1 C11 109.7(4) . . ?
C1A P1 Pd1 108.0(2) . . ?
C1G P1 Pd1 122.9(3) . . ?
C11 P1 Pd1 99.6(3) . . ?
C12 C11 P1 107.1(6) . . ?
C12 C11 H11A 110.3 . . ?
P1 C11 H11A 110.3 . . ?
C12 C11 H11B 110.3 . . ?
P1 C11 H11B 110.3 . . ?
H11A C11 H11B 108.5 . . ?
C11 C12 N1 109.2(7) . . ?
C11 C12 H12A 109.8 . . ?
N1 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
N1 C12 H12B 109.8 . . ?
H12A C12 H12B 108.3 . . ?
C2A P2 C21 107.8(4) . . ?
C2A P2 C2G 110.3(4) . . ?
C21 P2 C2G 104.9(4) . . ?
C2A P2 Pd1 122.1(3) . . ?
C21 P2 Pd1 101.0(3) . . ?
C2G P2 Pd1 109.1(2) . . ?
C22 C21 P2 107.3(6) . . ?
C22 C21 H21A 110.3 . . ?
P2 C21 H21A 110.3 . . ?
C22 C21 H21B 110.3 . . ?
P2 C21 H21B 110.3 . . ?
H21A C21 H21B 108.5 . . ?
C21 C22 N1 109.8(7) . . ?
C21 C22 H22A 109.7 . . ?
N1 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
N1 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C2 N1 C12 108.7(7) . . ?
C2 N1 C22 109.4(6) . . ?
C12 N1 C22 109.2(6) . . ?
C2 N1 Pd1 111.0(5) . . ?
C12 N1 Pd1 111.1(5) . . ?
C22 N1 Pd1 107.5(5) . . ?
C3 C2 C7 118.4(7) . . ?
C3 C2 N1 120.1(7) . . ?
C7 C2 N1 121.5(7) . . ?
C4 C3 C2 121.2(7) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C3 C4 C5 121.3(7) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
N8 C5 C6 122.7(7) . . ?
N8 C5 C4 121.3(7) . . ?
C6 C5 C4 115.9(7) . . ?
C7 C6 C5 122.4(7) . . ?
C7 C6 H6A 118.8 . . ?
C5 C6 H6A 118.8 . . ?
C6 C7 C2 120.8(7) . . ?
C6 C7 H7A 119.6 . . ?
C2 C7 H7A 119.6 . . ?
C5 N8 C42 122.4(6) . . ?
C5 N8 C32 120.2(6) . . ?
C42 N8 C32 117.3(6) . . ?
Cl4 Pd2 Cl3 179.36(8) . . ?
Cl4 Pd2 P3 88.81(7) . 3_556 ?
Cl3 Pd2 P3 91.33(7) . 3_556 ?
Cl4 Pd2 P4 89.50(7) . . ?
Cl3 Pd2 P4 90.56(7) . . ?
P3 Pd2 P4 161.21(7) 3_556 . ?
C31 P3 C3A 104.6(3) . . ?
C31 P3 C3G 101.6(3) . . ?
C3A P3 C3G 106.1(2) . . ?
C31 P3 Pd2 118.0(2) . 3_556 ?
C3A P3 Pd2 100.8(2) . 3_556 ?
C3G P3 Pd2 123.85(19) . 3_556 ?
C32 C31 P3 112.9(5) . . ?
C32 C31 H31A 109.0 . . ?
P3 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
P3 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
N8 C32 C31 109.7(6) . . ?
N8 C32 H32A 109.7 . . ?
C31 C32 H32A 109.7 . . ?
N8 C32 H32B 109.7 . . ?
C31 C32 H32B 109.7 . . ?
H32A C32 H32B 108.2 . . ?
C4A P4 C41 104.2(3) . . ?
C4A P4 C4G 107.1(2) . . ?
C41 P4 C4G 103.5(3) . . ?
C4A P4 Pd2 117.2(2) . . ?
C41 P4 Pd2 116.7(2) . . ?
C4G P4 Pd2 106.98(17) . . ?
C42 C41 P4 114.5(5) . . ?
C42 C41 H41A 108.6 . . ?
P4 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
P4 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
N8 C42 C41 111.4(6) . . ?
N8 C42 H42A 109.4 . . ?
C41 C42 H42A 109.4 . . ?
N8 C42 H42B 109.4 . . ?
C41 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C1B C1A C1F 120.0 . . ?
C1B C1A P1 118.3(4) . . ?
C1F C1A P1 121.6(4) . . ?
C1C C1B C1A 120.0 . . ?
C1C C1B H1BA 120.0 . . ?
C1A C1B H1BA 120.0 . . ?
C1B C1C C1D 120.0 . . ?
C1B C1C H1CA 120.0 . . ?
C1D C1C H1CA 120.0 . . ?
C1E C1D C1C 120.0 . . ?
C1E C1D H1DA 120.0 . . ?
C1C C1D H1DA 120.0 . . ?
C1D C1E C1F 120.0 . . ?
C1D C1E H1EA 120.0 . . ?
C1F C1E H1EA 120.0 . . ?
C1E C1F C1A 120.0 . . ?
C1E C1F H1FA 120.0 . . ?
C1A C1F H1FA 120.0 . . ?
C1H C1G C1L 120.0 . . ?
C1H C1G P1 118.4(5) . . ?
C1L C1G P1 121.6(5) . . ?
C1G C1H C1I 120.0 . . ?
C1G C1H H1HA 120.0 . . ?
C1I C1H H1HA 120.0 . . ?
C1J C1I C1H 120.0 . . ?
C1J C1I H1IA 120.0 . . ?
C1H C1I H1IA 120.0 . . ?
C1I C1J C1K 120.0 . . ?
C1I C1J H1JA 120.0 . . ?
C1K C1J H1JA 120.0 . . ?
C1L C1K C1J 120.0 . . ?
C1L C1K H1KA 120.0 . . ?
C1J C1K H1KA 120.0 . . ?
C1K C1L C1G 120.0 . . ?
C1K C1L H1LA 120.0 . . ?
C1G C1L H1LA 120.0 . . ?
C2B C2A C2F 120.0 . . ?
C2B C2A P2 118.3(4) . . ?
C2F C2A P2 121.6(4) . . ?
C2A C2B C2C 120.0 . . ?
C2A C2B H2BA 120.0 . . ?
C2C C2B H2BA 120.0 . . ?
C2D C2C C2B 120.0 . . ?
C2D C2C H2CA 120.0 . . ?
C2B C2C H2CA 120.0 . . ?
C2C C2D C2E 120.0 . . ?
C2C C2D H2DA 120.0 . . ?
C2E C2D H2DA 120.0 . . ?
C2F C2E C2D 120.0 . . ?
C2F C2E H2EA 120.0 . . ?
C2D C2E H2EA 120.0 . . ?
C2E C2F C2A 120.0 . . ?
C2E C2F H2FA 120.0 . . ?
C2A C2F H2FA 120.0 . . ?
C2H C2G C2L 120.0 . . ?
C2H C2G P2 119.0(4) . . ?
C2L C2G P2 120.9(4) . . ?
C2G C2H C2I 120.0 . . ?
C2G C2H H2HA 120.0 . . ?
C2I C2H H2HA 120.0 . . ?
C2H C2I C2J 120.0 . . ?
C2H C2I H2IA 120.0 . . ?
C2J C2I H2IA 120.0 . . ?
C2K C2J C2I 120.0 . . ?
C2K C2J H2JA 120.0 . . ?
C2I C2J H2JA 120.0 . . ?
C2J C2K C2L 120.0 . . ?
C2J C2K H2KA 120.0 . . ?
C2L C2K H2KA 120.0 . . ?
C2K C2L C2G 120.0 . . ?
C2K C2L H2LA 120.0 . . ?
C2G C2L H2LA 120.0 . . ?
C3B C3A C3F 120.0 . . ?
C3B C3A P3 119.4(3) . . ?
C3F C3A P3 120.4(3) . . ?
C3A C3B C3C 120.0 . . ?
C3A C3B H3BA 120.0 . . ?
C3C C3B H3BA 120.0 . . ?
C3D C3C C3B 120.0 . . ?
C3D C3C H3CA 120.0 . . ?
C3B C3C H3CA 120.0 . . ?
C3E C3D C3C 120.0 . . ?
C3E C3D H3DA 120.0 . . ?
C3C C3D H3DA 120.0 . . ?
C3D C3E C3F 120.0 . . ?
C3D C3E H3EA 120.0 . . ?
C3F C3E H3EA 120.0 . . ?
C3E C3F C3A 120.0 . . ?
C3E C3F H3FA 120.0 . . ?
C3A C3F H3FA 120.0 . . ?
C3H C3G C3L 120.0 . . ?
C3H C3G P3 119.6(3) . . ?
C3L C3G P3 120.1(3) . . ?
C3I C3H C3G 120.0 . . ?
C3I C3H H3HA 120.0 . . ?
C3G C3H H3HA 120.0 . . ?
C3H C3I C3J 120.0 . . ?
C3H C3I H3IA 120.0 . . ?
C3J C3I H3IA 120.0 . . ?
C3K C3J C3I 120.0 . . ?
C3K C3J H3JA 120.0 . . ?
C3I C3J H3JA 120.0 . . ?
C3L C3K C3J 120.0 . . ?
C3L C3K H3KA 120.0 . . ?
C3J C3K H3KA 120.0 . . ?
C3K C3L C3G 120.0 . . ?
C3K C3L H3LA 120.0 . . ?
C3G C3L H3LA 120.0 . . ?
C4B C4A C4F 120.0 . . ?
C4B C4A P4 121.8(3) . . ?
C4F C4A P4 118.2(3) . . ?
C4C C4B C4A 120.0 . . ?
C4C C4B H4BA 120.0 . . ?
C4A C4B H4BA 120.0 . . ?
C4B C4C C4D 120.0 . . ?
C4B C4C H4CA 120.0 . . ?
C4D C4C H4CA 120.0 . . ?
C4E C4D C4C 120.0 . . ?
C4E C4D H4DA 120.0 . . ?
C4C C4D H4DA 120.0 . . ?
C4D C4E C4F 120.0 . . ?
C4D C4E H4EA 120.0 . . ?
C4F C4E H4EA 120.0 . . ?
C4E C4F C4A 120.0 . . ?
C4E C4F H4FA 120.0 . . ?
C4A C4F H4FA 120.0 . . ?
C4H C4G C4L 120.0 . . ?
C4H C4G P4 120.7(3) . . ?
C4L C4G P4 119.3(3) . . ?
C4G C4H C4I 120.0 . . ?
C4G C4H H4HA 120.0 . . ?
C4I C4H H4HA 120.0 . . ?
C4H C4I C4J 120.0 . . ?
C4H C4I H4IA 120.0 . . ?
C4J C4I H4IA 120.0 . . ?
C4I C4J C4K 120.0 . . ?
C4I C4J H4JA 120.0 . . ?
C4K C4J H4JA 120.0 . . ?
C4L C4K C4J 120.0 . . ?
C4L C4K H4KA 120.0 . . ?
C4J C4K H4KA 120.0 . . ?
C4K C4L C4G 120.0 . . ?
C4K C4L H4LA 120.0 . . ?
C4G C4L H4LA 120.0 . . ?
C52B Cl51 C52A 16(3) . . ?
C53A C52A Cl51 121(4) . . ?
C53A C52A H52A 107.2 . . ?
Cl51 C52A H52A 107.2 . . ?
C53A C52A H52B 107.2 . . ?
Cl51 C52A H52B 107.2 . . ?
H52A C52A H52B 106.8 . . ?
C52A C53A Cl54 129(5) . . ?
C52A C53A H53A 105.1 . . ?
Cl54 C53A H53A 105.1 . . ?
C52A C53A H53B 105.1 . . ?
Cl54 C53A H53B 105.1 . . ?
H53A C53A H53B 105.9 . . ?
C53B C52B Cl51 116(3) . . ?
C53B C52B H52C 108.2 . . ?
Cl51 C52B H52C 108.2 . . ?
C53B C52B H52D 108.2 . . ?
Cl51 C52B H52D 108.2 . . ?
H52C C52B H52D 107.3 . . ?
C52B C53B Cl55 97(3) . . ?
C52B C53B H53C 112.4 . . ?
Cl55 C53B H53C 112.4 . . ?
C52B C53B H53D 112.4 . . ?
Cl55 C53B H53D 112.4 . . ?
H53C C53B H53D 109.9 . . ?
Cl63 C61 Cl62 109.0(5) . . ?
Cl63 C61 H61A 109.9 . . ?
Cl62 C61 H61A 109.9 . . ?
Cl63 C61 H61B 109.9 . . ?
Cl62 C61 H61B 109.9 . . ?
H61A C61 H61B 108.3 . . ?
Cl74 C71 Cl72 104.7(9) . . ?
Cl74 C71 Cl73 104.2(9) . . ?
Cl72 C71 Cl73 113.3(10) . . ?
Cl74 C71 H71A 111.4 . . ?
Cl72 C71 H71A 111.4 . . ?
Cl73 C71 H71A 111.4 . . ?
Cl82 C81 Cl84 108.9(8) . . ?
Cl82 C81 Cl83 108.7(9) . . ?
Cl84 C81 Cl83 109.9(9) . . ?
Cl82 C81 H81A 109.7 . . ?
Cl84 C81 H81A 109.7 . . ?
Cl83 C81 H81A 109.7 . . ?
Cl92 C91 Cl94 104.2(8) . . ?
Cl92 C91 Cl93 113.0(9) . . ?
Cl94 C91 Cl93 108.6(10) . . ?
Cl92 C91 H91A 110.2 . . ?
Cl94 C91 H91A 110.2 . . ?
Cl93 C91 H91A 110.2 . . ?
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 2.103(7) . ?
Pd1 P2 2.293(3) . ?
Pd1 P1 2.293(3) . ?
Pd1 Cl1 2.295(2) . ?
P1 C1A 1.810(5) . ?
P1 C1G 1.813(6) . ?
P1 C11 1.826(9) . ?
C11 C12 1.503(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N1 1.523(11) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
P2 C2A 1.807(6) . ?
P2 C21 1.821(8) . ?
P2 C2G 1.837(5) . ?
C21 C22 1.509(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 N1 1.536(11) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
N1 C2 1.481(10) . ?
C2 C3 1.381(11) . ?
C2 C7 1.382(11) . ?
C3 C4 1.376(11) . ?
C3 H3A 0.9500 . ?
C4 C5 1.407(10) . ?
C4 H4A 0.9500 . ?
C5 N8 1.365(10) . ?
C5 C6 1.402(10) . ?
C6 C7 1.364(11) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
N8 C42 1.454(9) . ?
N8 C32 1.474(9) . ?
Pd2 Cl4 2.2945(18) . ?
Pd2 Cl3 2.2985(18) . ?
Pd2 P3 2.310(2) 3_556 ?
Pd2 P4 2.313(2) . ?
P3 C31 1.819(7) . ?
P3 C3A 1.821(4) . ?
P3 C3G 1.824(4) . ?
P3 Pd2 2.310(2) 3_556 ?
C31 C32 1.547(9) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
P4 C4A 1.813(4) . ?
P4 C41 1.822(7) . ?
P4 C4G 1.830(3) . ?
C41 C42 1.530(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C1A C1B 1.3900 . ?
C1A C1F 1.3900 . ?
C1B C1C 1.3900 . ?
C1B H1BA 0.9500 . ?
C1C C1D 1.3900 . ?
C1C H1CA 0.9500 . ?
C1D C1E 1.3900 . ?
C1D H1DA 0.9500 . ?
C1E C1F 1.3900 . ?
C1E H1EA 0.9500 . ?
C1F H1FA 0.9500 . ?
C1G C1H 1.3900 . ?
C1G C1L 1.3900 . ?
C1H C1I 1.3900 . ?
C1H H1HA 0.9500 . ?
C1I C1J 1.3900 . ?
C1I H1IA 0.9500 . ?
C1J C1K 1.3900 . ?
C1J H1JA 0.9500 . ?
C1K C1L 1.3900 . ?
C1K H1KA 0.9500 . ?
C1L H1LA 0.9500 . ?
C2A C2B 1.3900 . ?
C2A C2F 1.3900 . ?
C2B C2C 1.3900 . ?
C2B H2BA 0.9500 . ?
C2C C2D 1.3900 . ?
C2C H2CA 0.9500 . ?
C2D C2E 1.3900 . ?
C2D H2DA 0.9500 . ?
C2E C2F 1.3900 . ?
C2E H2EA 0.9500 . ?
C2F H2FA 0.9500 . ?
C2G C2H 1.3900 . ?
C2G C2L 1.3900 . ?
C2H C2I 1.3900 . ?
C2H H2HA 0.9500 . ?
C2I C2J 1.3900 . ?
C2I H2IA 0.9500 . ?
C2J C2K 1.3900 . ?
C2J H2JA 0.9500 . ?
C2K C2L 1.3900 . ?
C2K H2KA 0.9500 . ?
C2L H2LA 0.9500 . ?
C3A C3B 1.3900 . ?
C3A C3F 1.3900 . ?
C3B C3C 1.3900 . ?
C3B H3BA 0.9500 . ?
C3C C3D 1.3900 . ?
C3C H3CA 0.9500 . ?
C3D C3E 1.3900 . ?
C3D H3DA 0.9500 . ?
C3E C3F 1.3900 . ?
C3E H3EA 0.9500 . ?
C3F H3FA 0.9500 . ?
C3G C3H 1.3900 . ?
C3G C3L 1.3900 . ?
C3H C3I 1.3900 . ?
C3H H3HA 0.9500 . ?
C3I C3J 1.3900 . ?
C3I H3IA 0.9500 . ?
C3J C3K 1.3900 . ?
C3J H3JA 0.9500 . ?
C3K C3L 1.3900 . ?
C3K H3KA 0.9500 . ?
C3L H3LA 0.9500 . ?
C4A C4B 1.3900 . ?
C4A C4F 1.3900 . ?
C4B C4C 1.3900 . ?
C4B H4BA 0.9500 . ?
C4C C4D 1.3900 . ?
C4C H4CA 0.9500 . ?
C4D C4E 1.3900 . ?
C4D H4DA 0.9500 . ?
C4E C4F 1.3900 . ?
C4E H4EA 0.9500 . ?
C4F H4FA 0.9500 . ?
C4G C4H 1.3900 . ?
C4G C4L 1.3900 . ?
C4H C4I 1.3900 . ?
C4H H4HA 0.9500 . ?
C4I C4J 1.3900 . ?
C4I H4IA 0.9500 . ?
C4J C4K 1.3900 . ?
C4J H4JA 0.9500 . ?
C4K C4L 1.3900 . ?
C4K H4KA 0.9500 . ?
C4L H4LA 0.9500 . ?
Cl51 C52B 1.74(2) . ?
Cl51 C52A 1.75(2) . ?
C52A C53A 1.52(2) . ?
C52A H52A 0.9900 . ?
C52A H52B 0.9900 . ?
C53A Cl54 1.72(2) . ?
C53A H53A 0.9900 . ?
C53A H53B 0.9900 . ?
C52B C53B 1.54(2) . ?
C52B H52C 0.9900 . ?
C52B H52D 0.9900 . ?
C53B Cl55 1.704(19) . ?
C53B H53C 0.9900 . ?
C53B H53D 0.9900 . ?
C61 Cl63 1.789(9) . ?
C61 Cl62 1.822(11) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C71 Cl74 1.755(15) . ?
C71 Cl72 1.768(14) . ?
C71 Cl73 1.771(14) . ?
C71 H71A 1.0000 . ?
C81 Cl82 1.688(13) . ?
C81 Cl84 1.721(14) . ?
C81 Cl83 1.763(13) . ?
C81 H81A 1.0000 . ?
C91 Cl92 1.707(11) . ?
C91 Cl94 1.714(14) . ?
C91 Cl93 1.718(15) . ?
C91 H91A 1.0000 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pd1 P1 C1A -100.6(3) . . . . ?
P2 Pd1 P1 C1A -48.5(5) . . . . ?
Cl1 Pd1 P1 C1A 82.3(3) . . . . ?
N1 Pd1 P1 C1G 130.4(4) . . . . ?
P2 Pd1 P1 C1G -177.6(4) . . . . ?
Cl1 Pd1 P1 C1G -46.7(3) . . . . ?
N1 Pd1 P1 C11 9.4(4) . . . . ?
P2 Pd1 P1 C11 61.4(5) . . . . ?
Cl1 Pd1 P1 C11 -167.7(3) . . . . ?
C1A P1 C11 C12 74.2(6) . . . . ?
C1G P1 C11 C12 -167.8(6) . . . . ?
Pd1 P1 C11 C12 -37.6(6) . . . . ?
P1 C11 C12 N1 58.0(8) . . . . ?
N1 Pd1 P2 C2A -118.1(4) . . . . ?
P1 Pd1 P2 C2A -170.2(4) . . . . ?
Cl1 Pd1 P2 C2A 59.1(3) . . . . ?
N1 Pd1 P2 C21 1.2(4) . . . . ?
P1 Pd1 P2 C21 -50.9(5) . . . . ?
Cl1 Pd1 P2 C21 178.4(3) . . . . ?
N1 Pd1 P2 C2G 111.3(3) . . . . ?
P1 Pd1 P2 C2G 59.2(5) . . . . ?
Cl1 Pd1 P2 C2G -71.5(3) . . . . ?
C2A P2 C21 C22 156.9(6) . . . . ?
C2G P2 C21 C22 -85.5(6) . . . . ?
Pd1 P2 C21 C22 27.8(6) . . . . ?
P2 C21 C22 N1 -56.1(8) . . . . ?
C11 C12 N1 C2 72.4(8) . . . . ?
C11 C12 N1 C22 -168.3(7) . . . . ?
C11 C12 N1 Pd1 -49.9(8) . . . . ?
C21 C22 N1 C2 -63.1(8) . . . . ?
C21 C22 N1 C12 178.1(7) . . . . ?
C21 C22 N1 Pd1 57.5(7) . . . . ?
P2 Pd1 N1 C2 90.0(5) . . . . ?
P1 Pd1 N1 C2 -101.7(5) . . . . ?
Cl1 Pd1 N1 C2 -21(4) . . . . ?
P2 Pd1 N1 C12 -149.0(6) . . . . ?
P1 Pd1 N1 C12 19.3(5) . . . . ?
Cl1 Pd1 N1 C12 100(4) . . . . ?
P2 Pd1 N1 C22 -29.6(5) . . . . ?
P1 Pd1 N1 C22 138.7(5) . . . . ?
Cl1 Pd1 N1 C22 -141(4) . . . . ?
C12 N1 C2 C3 -114.3(8) . . . . ?
C22 N1 C2 C3 126.5(8) . . . . ?
Pd1 N1 C2 C3 8.1(9) . . . . ?
C12 N1 C2 C7 63.9(9) . . . . ?
C22 N1 C2 C7 -55.3(10) . . . . ?
Pd1 N1 C2 C7 -173.7(6) . . . . ?
C7 C2 C3 C4 0.2(12) . . . . ?
N1 C2 C3 C4 178.5(7) . . . . ?
C2 C3 C4 C5 1.0(12) . . . . ?
C3 C4 C5 N8 178.3(7) . . . . ?
C3 C4 C5 C6 -1.0(11) . . . . ?
N8 C5 C6 C7 -179.4(7) . . . . ?
C4 C5 C6 C7 -0.1(12) . . . . ?
C5 C6 C7 C2 1.3(13) . . . . ?
C3 C2 C7 C6 -1.4(12) . . . . ?
N1 C2 C7 C6 -179.6(7) . . . . ?
C6 C5 N8 C42 -1.9(11) . . . . ?
C4 C5 N8 C42 178.8(7) . . . . ?
C6 C5 N8 C32 173.4(7) . . . . ?
C4 C5 N8 C32 -5.8(11) . . . . ?
C3A P3 C31 C32 178.4(5) . . . . ?
C3G P3 C31 C32 -71.4(5) . . . . ?
Pd2 P3 C31 C32 67.5(6) 3_556 . . . ?
C5 N8 C32 C31 -73.5(8) . . . . ?
C42 N8 C32 C31 102.1(7) . . . . ?
P3 C31 C32 N8 164.1(5) . . . . ?
Cl4 Pd2 P4 C4A 146.3(2) . . . . ?
Cl3 Pd2 P4 C4A -33.1(2) . . . . ?
P3 Pd2 P4 C4A -128.9(3) 3_556 . . . ?
Cl4 Pd2 P4 C41 21.7(3) . . . . ?
Cl3 Pd2 P4 C41 -157.6(3) . . . . ?
P3 Pd2 P4 C41 106.6(3) 3_556 . . . ?
Cl4 Pd2 P4 C4G -93.5(2) . . . . ?
Cl3 Pd2 P4 C4G 87.1(2) . . . . ?
P3 Pd2 P4 C4G -8.7(3) 3_556 . . . ?
C4A P4 C41 C42 -68.3(6) . . . . ?
C4G P4 C41 C42 179.8(5) . . . . ?
Pd2 P4 C41 C42 62.6(6) . . . . ?
C5 N8 C42 C41 -80.6(9) . . . . ?
C32 N8 C42 C41 103.9(7) . . . . ?
P4 C41 C42 N8 -166.2(5) . . . . ?
C1G P1 C1A C1B 95.4(5) . . . . ?
C11 P1 C1A C1B -146.6(5) . . . . ?
Pd1 P1 C1A C1B -40.8(5) . . . . ?
C1G P1 C1A C1F -88.9(5) . . . . ?
C11 P1 C1A C1F 29.1(5) . . . . ?
Pd1 P1 C1A C1F 134.9(4) . . . . ?
C1F C1A C1B C1C 0.0 . . . . ?
P1 C1A C1B C1C 175.7(5) . . . . ?
C1A C1B C1C C1D 0.0 . . . . ?
C1B C1C C1D C1E 0.0 . . . . ?
C1C C1D C1E C1F 0.0 . . . . ?
C1D C1E C1F C1A 0.0 . . . . ?
C1B C1A C1F C1E 0.0 . . . . ?
P1 C1A C1F C1E -175.6(5) . . . . ?
C1A P1 C1G C1H -158.7(5) . . . . ?
C11 P1 C1G C1H 85.8(6) . . . . ?
Pd1 P1 C1G C1H -30.3(6) . . . . ?
C1A P1 C1G C1L 20.6(6) . . . . ?
C11 P1 C1G C1L -94.8(6) . . . . ?
Pd1 P1 C1G C1L 149.0(4) . . . . ?
C1L C1G C1H C1I 0.0 . . . . ?
P1 C1G C1H C1I 179.4(5) . . . . ?
C1G C1H C1I C1J 0.0 . . . . ?
C1H C1I C1J C1K 0.0 . . . . ?
C1I C1J C1K C1L 0.0 . . . . ?
C1J C1K C1L C1G 0.0 . . . . ?
C1H C1G C1L C1K 0.0 . . . . ?
P1 C1G C1L C1K -179.3(6) . . . . ?
C21 P2 C2A C2B -160.6(6) . . . . ?
C2G P2 C2A C2B 85.5(6) . . . . ?
Pd1 P2 C2A C2B -44.6(6) . . . . ?
C21 P2 C2A C2F 17.0(7) . . . . ?
C2G P2 C2A C2F -96.9(6) . . . . ?
Pd1 P2 C2A C2F 133.0(5) . . . . ?
C2F C2A C2B C2C 0.0 . . . . ?
P2 C2A C2B C2C 177.6(6) . . . . ?
C2A C2B C2C C2D 0.0 . . . . ?
C2B C2C C2D C2E 0.0 . . . . ?
C2C C2D C2E C2F 0.0 . . . . ?
C2D C2E C2F C2A 0.0 . . . . ?
C2B C2A C2F C2E 0.0 . . . . ?
P2 C2A C2F C2E -177.5(6) . . . . ?
C2A P2 C2G C2H 24.7(5) . . . . ?
C21 P2 C2G C2H -91.2(5) . . . . ?
Pd1 P2 C2G C2H 161.3(3) . . . . ?
C2A P2 C2G C2L -158.2(4) . . . . ?
C21 P2 C2G C2L 85.9(5) . . . . ?
Pd1 P2 C2G C2L -21.5(5) . . . . ?
C2L C2G C2H C2I 0.0 . . . . ?
P2 C2G C2H C2I 177.1(5) . . . . ?
C2G C2H C2I C2J 0.0 . . . . ?
C2H C2I C2J C2K 0.0 . . . . ?
C2I C2J C2K C2L 0.0 . . . . ?
C2J C2K C2L C2G 0.0 . . . . ?
C2H C2G C2L C2K 0.0 . . . . ?
P2 C2G C2L C2K -177.1(5) . . . . ?
C31 P3 C3A C3B -50.3(4) . . . . ?
C3G P3 C3A C3B -157.3(3) . . . . ?
Pd2 P3 C3A C3B 72.5(3) 3_556 . . . ?
C31 P3 C3A C3F 134.5(4) . . . . ?
C3G P3 C3A C3F 27.5(4) . . . . ?
Pd2 P3 C3A C3F -102.7(3) 3_556 . . . ?
C3F C3A C3B C3C 0.0 . . . . ?
P3 C3A C3B C3C -175.2(4) . . . . ?
C3A C3B C3C C3D 0.0 . . . . ?
C3B C3C C3D C3E 0.0 . . . . ?
C3C C3D C3E C3F 0.0 . . . . ?
C3D C3E C3F C3A 0.0 . . . . ?
C3B C3A C3F C3E 0.0 . . . . ?
P3 C3A C3F C3E 175.2(4) . . . . ?
C31 P3 C3G C3H 108.4(4) . . . . ?
C3A P3 C3G C3H -142.4(3) . . . . ?
Pd2 P3 C3G C3H -27.1(4) 3_556 . . . ?
C31 P3 C3G C3L -65.6(4) . . . . ?
C3A P3 C3G C3L 43.5(4) . . . . ?
Pd2 P3 C3G C3L 158.8(3) 3_556 . . . ?
C3L C3G C3H C3I 0.0 . . . . ?
P3 C3G C3H C3I -174.1(4) . . . . ?
C3G C3H C3I C3J 0.0 . . . . ?
C3H C3I C3J C3K 0.0 . . . . ?
C3I C3J C3K C3L 0.0 . . . . ?
C3J C3K C3L C3G 0.0 . . . . ?
C3H C3G C3L C3K 0.0 . . . . ?
P3 C3G C3L C3K 174.1(4) . . . . ?
C41 P4 C4A C4B -98.3(4) . . . . ?
C4G P4 C4A C4B 11.0(4) . . . . ?
Pd2 P4 C4A C4B 131.1(3) . . . . ?
C41 P4 C4A C4F 81.6(4) . . . . ?
C4G P4 C4A C4F -169.2(3) . . . . ?
Pd2 P4 C4A C4F -49.1(4) . . . . ?
C4F C4A C4B C4C 0.0 . . . . ?
P4 C4A C4B C4C 179.9(5) . . . . ?
C4A C4B C4C C4D 0.0 . . . . ?
C4B C4C C4D C4E 0.0 . . . . ?
C4C C4D C4E C4F 0.0 . . . . ?
C4D C4E C4F C4A 0.0 . . . . ?
C4B C4A C4F C4E 0.0 . . . . ?
P4 C4A C4F C4E -179.9(4) . . . . ?
C4A P4 C4G C4H -73.4(4) . . . . ?
C41 P4 C4G C4H 36.4(4) . . . . ?
Pd2 P4 C4G C4H 160.2(3) . . . . ?
C4A P4 C4G C4L 108.3(4) . . . . ?
C41 P4 C4G C4L -141.9(4) . . . . ?
Pd2 P4 C4G C4L -18.1(3) . . . . ?
C4L C4G C4H C4I 0.0 . . . . ?
P4 C4G C4H C4I -178.3(4) . . . . ?
C4G C4H C4I C4J 0.0 . . . . ?
C4H C4I C4J C4K 0.0 . . . . ?
C4I C4J C4K C4L 0.0 . . . . ?
C4J C4K C4L C4G 0.0 . . . . ?
C4H C4G C4L C4K 0.0 . . . . ?
P4 C4G C4L C4K 178.3(4) . . . . ?
C52B Cl51 C52A C53A -15(13) . . . . ?
Cl51 C52A C53A Cl54 -166(6) . . . . ?
C52A Cl51 C52B C53B -179(22) . . . . ?
Cl51 C52B C53B Cl55 -152(5) . . . . ?
