#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:13:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179885 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/81/7018128.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_7018128
loop_
_publ_author_name
'Wang, Wei-Chi'
'Peng, Kuo-Fu'
'Chen, Ming-Tsz'
'Chen, Chi-Tien'
_publ_section_title
;
 Palladacycles bearing tridentate CNS-type benzamidinate ligands as
 catalysts for cross-coupling reactions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3022
_journal_page_last               3029
_journal_paper_doi               10.1039/c2dt11097k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         '4(C19 H23 Cl N2 Pd S), C H2 Cl2 '
_chemical_formula_sum            'C77 H94 Cl6 N8 Pd4 S4'
_chemical_formula_weight         1898.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.6320(10)
_cell_angle_beta                 96.5380(10)
_cell_angle_gamma                106.8330(10)
_cell_formula_units_Z            1
_cell_length_a                   9.7871(7)
_cell_length_b                   11.3669(8)
_cell_length_c                   19.8986(14)
_cell_measurement_reflns_used    7920
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0285
_cell_measurement_theta_min      2.2685
_cell_volume                     2030.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0145
_diffrn_reflns_av_sigmaI/netI    0.0202
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11427
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8464
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelplpiped
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         7789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.003
_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          0.0855
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                6838
_reflns_number_total             7789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11097k.txt
_cod_data_source_block           Compound8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018128
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd1 Pd 0.83255(2) 0.229972(18) 0.304394(9) 0.03704(7) Uani 1 1 d .
Pd2 Pd 0.69221(2) -0.421103(18) 0.760282(10) 0.03800(7) Uani 1 1 d .
Cl1 Cl 0.85463(11) 0.17607(9) 0.41021(4) 0.0666(2) Uani 1 1 d .
Cl2 Cl 0.61607(12) -0.54282(8) 0.83666(5) 0.0742(3) Uani 1 1 d .
Cl3 Cl 1.0047(9) -0.3714(11) 1.0445(5) 0.198(5) Uani 0.50 1 d P
Cl4 Cl 1.0145(9) -0.3690(11) 1.0137(8) 0.229(7) Uani 0.50 1 d P
S1 S 0.90309(8) 0.05555(7) 0.24171(4) 0.04621(16) Uani 1 1 d .
S2 S 0.68057(9) -0.60930(7) 0.67102(4) 0.05236(18) Uani 1 1 d .
N1 N 0.6496(2) 0.3814(2) 0.23413(12) 0.0457(5) Uani 1 1 d .
H1A H 0.5700 0.3910 0.2172 0.055 Uiso 1 1 calc R
N2 N 0.8057(2) 0.26703(19) 0.21042(10) 0.0357(4) Uani 1 1 d .
N3 N 0.6837(3) -0.1444(2) 0.74229(13) 0.0523(6) Uani 1 1 d .
H3A H 0.6534 -0.0830 0.7361 0.063 Uiso 1 1 calc R
N4 N 0.7154(3) -0.3309(2) 0.68341(12) 0.0484(6) Uani 1 1 d .
C1 C 0.7110(3) 0.3177(2) 0.18896(13) 0.0371(5) Uani 1 1 d .
C2 C 0.6643(3) 0.3116(3) 0.11415(13) 0.0404(6) Uani 1 1 d .
C3 C 0.6071(4) 0.1962(3) 0.06391(16) 0.0593(8) Uani 1 1 d .
H3B H 0.5977 0.1206 0.0766 0.071 Uiso 1 1 calc R
C4 C 0.5639(5) 0.1931(4) -0.00504(17) 0.0737(11) Uani 1 1 d .
H4A H 0.5255 0.1152 -0.0387 0.088 Uiso 1 1 calc R
C5 C 0.5772(4) 0.3040(4) -0.02442(18) 0.0719(10) Uani 1 1 d .
H5A H 0.5481 0.3011 -0.0711 0.086 Uiso 1 1 calc R
C6 C 0.6329(5) 0.4177(4) 0.0245(2) 0.0738(10) Uani 1 1 d .
H6A H 0.6422 0.4928 0.0114 0.089 Uiso 1 1 calc R
C7 C 0.6759(4) 0.4224(3) 0.09412(18) 0.0612(8) Uani 1 1 d .
H7A H 0.7129 0.5007 0.1275 0.073 Uiso 1 1 calc R
C8 C 0.7025(3) 0.4350(2) 0.30730(13) 0.0407(6) Uani 1 1 d .
C9 C 0.7868(3) 0.3865(3) 0.34714(13) 0.0402(6) Uani 1 1 d .
C10 C 0.8444(3) 0.4570(3) 0.41683(14) 0.0484(6) Uani 1 1 d .
H10A H 0.9036 0.4286 0.4449 0.058 Uiso 1 1 calc R
C11 C 0.8160(4) 0.5674(3) 0.44512(16) 0.0597(8) Uani 1 1 d .
H11A H 0.8575 0.6130 0.4914 0.072 Uiso 1 1 calc R
C12 C 0.7265(4) 0.6108(3) 0.40548(17) 0.0612(8) Uani 1 1 d .
H12A H 0.7048 0.6837 0.4252 0.073 Uiso 1 1 calc R
C13 C 0.6691(3) 0.5445(3) 0.33589(17) 0.0530(7) Uani 1 1 d .
H13A H 0.6087 0.5729 0.3084 0.064 Uiso 1 1 calc R
C14 C 0.9008(3) 0.2271(3) 0.16502(14) 0.0419(6) Uani 1 1 d .
H14A H 1.0012 0.2777 0.1854 0.050 Uiso 1 1 calc R
H14B H 0.8777 0.2417 0.1195 0.050 Uiso 1 1 calc R
C15 C 0.8826(3) 0.0869(3) 0.15598(14) 0.0472(6) Uani 1 1 d .
H15A H 0.9551 0.0649 0.1311 0.057 Uiso 1 1 calc R
H15B H 0.7872 0.0351 0.1286 0.057 Uiso 1 1 calc R
C16 C 0.7578(5) -0.0980(3) 0.2285(2) 0.0699(10) Uani 1 1 d .
C17 C 0.7820(9) -0.1351(5) 0.2964(3) 0.141(3) Uani 1 1 d .
H17A H 0.7095 -0.2147 0.2936 0.212 Uiso 1 1 calc R
H17B H 0.7750 -0.0703 0.3346 0.212 Uiso 1 1 calc R
H17C H 0.8768 -0.1439 0.3041 0.212 Uiso 1 1 calc R
C18 C 0.6089(4) -0.0795(4) 0.2147(3) 0.0879(13) Uani 1 1 d .
H18A H 0.5334 -0.1591 0.2082 0.132 Uiso 1 1 calc R
H18B H 0.5999 -0.0501 0.1732 0.132 Uiso 1 1 calc R
H18C H 0.6003 -0.0176 0.2540 0.132 Uiso 1 1 calc R
C19 C 0.7739(6) -0.1956(4) 0.1681(3) 0.0942(14) Uani 1 1 d .
H19A H 0.6985 -0.2753 0.1616 0.141 Uiso 1 1 calc R
H19B H 0.8671 -0.2066 0.1780 0.141 Uiso 1 1 calc R
H19C H 0.7664 -0.1673 0.1262 0.141 Uiso 1 1 calc R
C20 C 0.6924(3) -0.2244(3) 0.68352(14) 0.0416(6) Uani 1 1 d .
C21 C 0.6722(3) -0.1788(3) 0.61951(14) 0.0452(6) Uani 1 1 d .
C22 C 0.5344(4) -0.1939(4) 0.58663(18) 0.0651(9) Uani 1 1 d .
H22A H 0.4542 -0.2332 0.6042 0.078 Uiso 1 1 calc R
C23 C 0.5150(5) -0.1511(4) 0.5278(2) 0.0807(11) Uani 1 1 d .
H23A H 0.4216 -0.1606 0.5062 0.097 Uiso 1 1 calc R
C24 C 0.6323(5) -0.0944(4) 0.50077(18) 0.0730(11) Uani 1 1 d .
H24A H 0.6184 -0.0670 0.4606 0.088 Uiso 1 1 calc R
C25 C 0.7678(4) -0.0789(3) 0.53288(17) 0.0658(10) Uani 1 1 d .
H25A H 0.8471 -0.0395 0.5149 0.079 Uiso 1 1 calc R
C26 C 0.7906(4) -0.1207(3) 0.59230(17) 0.0555(7) Uani 1 1 d .
H26A H 0.8845 -0.1099 0.6138 0.067 Uiso 1 1 calc R
C27 C 0.7173(3) -0.1468(3) 0.81248(14) 0.0452(6) Uani 1 1 d .
C28 C 0.7225(3) -0.2571(3) 0.83115(14) 0.0419(6) Uani 1 1 d .
C29 C 0.7647(4) -0.2431(3) 0.90286(15) 0.0550(7) Uani 1 1 d .
H29A H 0.7699 -0.3141 0.9177 0.066 Uiso 1 1 calc R
C30 C 0.7992(4) -0.1273(4) 0.95261(17) 0.0673(9) Uani 1 1 d .
H30A H 0.8290 -0.1212 0.9997 0.081 Uiso 1 1 calc R
C31 C 0.7893(4) -0.0216(4) 0.93218(18) 0.0697(10) Uani 1 1 d .
H31A H 0.8102 0.0557 0.9656 0.084 Uiso 1 1 calc R
C32 C 0.7489(4) -0.0301(3) 0.86316(18) 0.0633(9) Uani 1 1 d .
H32A H 0.7422 0.0414 0.8494 0.076 Uiso 1 1 calc R
C33 C 0.7171(8) -0.4110(4) 0.6154(2) 0.112(2) Uani 1 1 d .
H33A H 0.6194 -0.4414 0.5878 0.134 Uiso 1 1 calc R
H33B H 0.7791 -0.3574 0.5916 0.134 Uiso 1 1 calc R
C34 C 0.7626(9) -0.5146(4) 0.6146(2) 0.120(2) Uani 1 1 d .
H34A H 0.8674 -0.4854 0.6293 0.144 Uiso 1 1 calc R
H34B H 0.7392 -0.5682 0.5669 0.144 Uiso 1 1 calc R
C35 C 0.8201(3) -0.6813(3) 0.69440(18) 0.0522(7) Uani 1 1 d .
C36 C 0.7458(5) -0.7862(4) 0.7264(3) 0.0844(12) Uani 1 1 d .
H36A H 0.8133 -0.8278 0.7394 0.127 Uiso 1 1 calc R
H36B H 0.6640 -0.8471 0.6929 0.127 Uiso 1 1 calc R
H36C H 0.7131 -0.7502 0.7673 0.127 Uiso 1 1 calc R
C37 C 0.9489(4) -0.5833(4) 0.7476(2) 0.0768(10) Uani 1 1 d .
H37A H 1.0201 -0.6226 0.7587 0.115 Uiso 1 1 calc R
H37B H 0.9165 -0.5513 0.7895 0.115 Uiso 1 1 calc R
H37C H 0.9915 -0.5141 0.7281 0.115 Uiso 1 1 calc R
C38 C 0.8686(5) -0.7373(4) 0.6274(2) 0.0832(12) Uani 1 1 d .
H38A H 0.9414 -0.7746 0.6392 0.125 Uiso 1 1 calc R
H38B H 0.9082 -0.6709 0.6056 0.125 Uiso 1 1 calc R
H38C H 0.7865 -0.8016 0.5956 0.125 Uiso 1 1 calc R
C39 C 0.9690(15) -0.509(2) 0.9584(11) 0.115(5) Uani 0.50 1 d P
H39A H 0.913(17) -0.512(18) 0.953(9) 0.138 Uiso 0.50 1 d P
H39B H 1.011(18) -0.494(19) 0.945(9) 0.138 Uiso 0.50 1 d P
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'
S S 0.1246 0.1234 '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'
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
C9 Pd1 N2 89.35(10) . .
C9 Pd1 Cl1 92.54(8) . .
N2 Pd1 Cl1 176.87(6) . .
C9 Pd1 S1 172.22(8) . .
N2 Pd1 S1 84.17(6) . .
Cl1 Pd1 S1 94.13(3) . .
C28 Pd2 N4 90.95(10) . .
C28 Pd2 Cl2 93.22(8) . .
N4 Pd2 Cl2 168.17(8) . .
C28 Pd2 S2 173.78(8) . .
N4 Pd2 S2 85.54(7) . .
Cl2 Pd2 S2 91.22(3) . .
Cl4 Cl3 C39 97(2) . 2_747
Cl4 Cl3 C39 49.4(17) . .
C39 Cl3 C39 55.1(12) 2_747 .
Cl3 Cl4 C39 60.9(17) . 2_747
Cl3 Cl4 C39 113.4(19) . .
C39 Cl4 C39 60.3(13) 2_747 .
Cl3 Cl4 H39A 111(6) . .
C39 Cl4 H39A 69(6) 2_747 .
C39 Cl4 H39A 18(5) . .
C15 S1 C16 103.02(15) . .
C15 S1 Pd1 97.30(9) . .
C16 S1 Pd1 110.51(13) . .
C34 S2 C35 102.4(2) . .
C34 S2 Pd2 92.27(13) . .
C35 S2 Pd2 113.20(11) . .
C1 N1 C8 126.7(2) . .
C1 N1 H1A 116.7 . .
C8 N1 H1A 116.7 . .
C1 N2 C14 121.4(2) . .
C1 N2 Pd1 125.08(17) . .
C14 N2 Pd1 113.49(16) . .
C20 N3 C27 129.2(2) . .
C20 N3 H3A 115.4 . .
C27 N3 H3A 115.4 . .
C20 N4 C33 116.7(3) . .
C20 N4 Pd2 126.13(19) . .
C33 N4 Pd2 114.7(2) . .
N2 C1 N1 121.3(2) . .
N2 C1 C2 123.8(2) . .
N1 C1 C2 114.9(2) . .
C7 C2 C3 118.9(3) . .
C7 C2 C1 120.0(3) . .
C3 C2 C1 121.1(2) . .
C4 C3 C2 119.9(3) . .
C4 C3 H3B 120.0 . .
C2 C3 H3B 120.0 . .
C5 C4 C3 120.6(3) . .
C5 C4 H4A 119.7 . .
C3 C4 H4A 119.7 . .
C6 C5 C4 119.9(3) . .
C6 C5 H5A 120.1 . .
C4 C5 H5A 120.1 . .
C5 C6 C7 120.3(3) . .
C5 C6 H6A 119.8 . .
C7 C6 H6A 119.8 . .
C2 C7 C6 120.4(3) . .
C2 C7 H7A 119.8 . .
C6 C7 H7A 119.8 . .
C9 C8 C13 122.1(3) . .
C9 C8 N1 122.9(2) . .
C13 C8 N1 115.0(3) . .
C8 C9 C10 116.6(3) . .
C8 C9 Pd1 120.89(18) . .
C10 C9 Pd1 122.4(2) . .
C11 C10 C9 121.9(3) . .
C11 C10 H10A 119.0 . .
C9 C10 H10A 119.0 . .
C12 C11 C10 120.5(3) . .
C12 C11 H11A 119.7 . .
C10 C11 H11A 119.7 . .
C11 C12 C13 119.3(3) . .
C11 C12 H12A 120.4 . .
C13 C12 H12A 120.4 . .
C12 C13 C8 119.6(3) . .
C12 C13 H13A 120.2 . .
C8 C13 H13A 120.2 . .
N2 C14 C15 110.9(2) . .
N2 C14 H14A 109.5 . .
C15 C14 H14A 109.5 . .
N2 C14 H14B 109.5 . .
C15 C14 H14B 109.5 . .
H14A C14 H14B 108.0 . .
C14 C15 S1 109.43(18) . .
C14 C15 H15A 109.8 . .
S1 C15 H15A 109.8 . .
C14 C15 H15B 109.8 . .
S1 C15 H15B 109.8 . .
H15A C15 H15B 108.2 . .
C19 C16 C17 110.5(4) . .
C19 C16 C18 110.7(4) . .
C17 C16 C18 111.5(4) . .
C19 C16 S1 109.8(3) . .
C17 C16 S1 104.7(3) . .
C18 C16 S1 109.5(2) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N4 C20 N3 122.4(3) . .
N4 C20 C21 123.9(2) . .
N3 C20 C21 113.6(2) . .
C22 C21 C26 119.1(3) . .
C22 C21 C20 119.8(3) . .
C26 C21 C20 121.1(3) . .
C21 C22 C23 120.1(3) . .
C21 C22 H22A 119.9 . .
C23 C22 H22A 119.9 . .
C22 C23 C24 120.6(4) . .
C22 C23 H23A 119.7 . .
C24 C23 H23A 119.7 . .
C25 C24 C23 119.6(3) . .
C25 C24 H24A 120.2 . .
C23 C24 H24A 120.2 . .
C24 C25 C26 121.1(3) . .
C24 C25 H25A 119.5 . .
C26 C25 H25A 119.5 . .
C25 C26 C21 119.5(3) . .
C25 C26 H26A 120.2 . .
C21 C26 H26A 120.2 . .
C28 C27 N3 122.4(2) . .
C28 C27 C32 121.6(3) . .
N3 C27 C32 115.9(3) . .
C27 C28 C29 115.8(3) . .
C27 C28 Pd2 122.6(2) . .
C29 C28 Pd2 121.2(2) . .
C30 C29 C28 122.5(3) . .
C30 C29 H29A 118.8 . .
C28 C29 H29A 118.8 . .
C31 C30 C29 119.9(3) . .
C31 C30 H30A 120.1 . .
C29 C30 H30A 120.1 . .
C32 C31 C30 120.0(3) . .
C32 C31 H31A 120.0 . .
C30 C31 H31A 120.0 . .
C31 C32 C27 120.2(3) . .
C31 C32 H32A 119.9 . .
C27 C32 H32A 119.9 . .
C34 C33 N4 118.0(4) . .
C34 C33 H33A 107.8 . .
N4 C33 H33A 107.8 . .
C34 C33 H33B 107.8 . .
N4 C33 H33B 107.8 . .
H33A C33 H33B 107.1 . .
C33 C34 S2 113.3(4) . .
C33 C34 H34A 108.9 . .
S2 C34 H34A 108.9 . .
C33 C34 H34B 108.9 . .
S2 C34 H34B 108.9 . .
H34A C34 H34B 107.7 . .
C36 C35 C37 109.9(3) . .
C36 C35 C38 110.4(3) . .
C37 C35 C38 111.0(3) . .
C36 C35 S2 105.6(2) . .
C37 C35 S2 110.9(2) . .
C38 C35 S2 109.0(3) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
Cl3 C39 Cl4 22.5(7) 2_747 2_747
Cl3 C39 Cl4 137.5(13) 2_747 .
Cl4 C39 Cl4 119.7(13) 2_747 .
Cl3 C39 C39 78.7(15) 2_747 2_747
Cl4 C39 C39 59.2(12) 2_747 2_747
Cl4 C39 C39 60.4(15) . 2_747
Cl3 C39 Cl3 124.9(12) 2_747 .
Cl4 C39 Cl3 104.6(11) 2_747 .
Cl4 C39 Cl3 17.2(5) . .
C39 C39 Cl3 46.2(14) 2_747 .
Cl3 C39 H39A 115(10) 2_747 .
Cl4 C39 H39A 110(10) 2_747 .
Cl4 C39 H39A 94(10) . .
C39 C39 H39A 114(10) 2_747 .
Cl3 C39 H39A 92(10) . .
Cl3 C39 H39B 92(10) 2_747 .
Cl4 C39 H39B 110(10) 2_747 .
Cl4 C39 H39B 93(10) . .
C39 C39 H39B 112(10) 2_747 .
Cl3 C39 H39B 107(10) . .
H39A C39 H39B 130(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C9 1.993(3) .
Pd1 N2 2.010(2) .
Pd1 Cl1 2.3224(8) .
Pd1 S1 2.4229(7) .
Pd2 C28 1.996(3) .
Pd2 N4 2.018(2) .
Pd2 Cl2 2.3152(8) .
Pd2 S2 2.4280(8) .
Cl3 Cl4 0.635(15) .
Cl3 C39 1.45(2) 2_747
Cl3 C39 1.97(3) .
Cl4 C39 1.65(2) 2_747
Cl4 C39 1.63(3) .
Cl4 H39A 1.74(18) .
S1 C15 1.818(3) .
S1 C16 1.848(4) .
S2 C34 1.816(4) .
S2 C35 1.849(3) .
N1 C1 1.335(3) .
N1 C8 1.420(3) .
N1 H1A 0.8600 .
N2 C1 1.304(3) .
N2 C14 1.465(3) .
N3 C20 1.343(3) .
N3 C27 1.406(4) .
N3 H3A 0.8600 .
N4 C20 1.294(4) .
N4 C33 1.462(4) .
C1 C2 1.487(4) .
C2 C7 1.380(4) .
C2 C3 1.382(4) .
C3 C4 1.379(4) .
C3 H3B 0.9300 .
C4 C5 1.372(5) .
C4 H4A 0.9300 .
C5 C6 1.355(5) .
C5 H5A 0.9300 .
C6 C7 1.385(5) .
C6 H6A 0.9300 .
C7 H7A 0.9300 .
C8 C9 1.386(4) .
C8 C13 1.396(4) .
C9 C10 1.399(4) .
C10 C11 1.377(4) .
C10 H10A 0.9300 .
C11 C12 1.377(5) .
C11 H11A 0.9300 .
C12 C13 1.386(4) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.518(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C19 1.504(5) .
C16 C17 1.514(6) .
C16 C18 1.535(6) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.490(4) .
C21 C22 1.376(4) .
C21 C26 1.388(4) .
C22 C23 1.377(5) .
C22 H22A 0.9300 .
C23 C24 1.374(6) .
C23 H23A 0.9300 .
C24 C25 1.349(6) .
C24 H24A 0.9300 .
C25 C26 1.386(4) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.397(4) .
C27 C32 1.406(4) .
C28 C29 1.400(4) .
C29 C30 1.387(5) .
C29 H29A 0.9300 .
C30 C31 1.375(6) .
C30 H30A 0.9300 .
C31 C32 1.359(5) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
C33 C34 1.372(6) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.515(5) .
C35 C37 1.522(5) .
C35 C38 1.535(5) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 Cl3 1.45(2) 2_747
C39 Cl4 1.65(2) 2_747
C39 C39 1.64(4) 2_747
C39 H39A 0.53(15) .
C39 H39B 0.53(16) .
