#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:00:24 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178544 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/51/4065183.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_4065183
loop_
_publ_author_name
'Vicente, José'
'Abad, José Antonio'
'López-Nicolás, Rosa-María'
'Jones, Peter G.'
_publ_section_title
;
 Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward
 Isocyanides, Carbon Monoxide, and Alkynes
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4983
_journal_paper_doi               10.1021/om200607h
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C67 H64 Br2 Cl2 P2 Pd2 S2'
_chemical_formula_weight         1438.76
_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                 105.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.203(3)
_cell_length_b                   15.410(3)
_cell_length_c                   22.325(4)
_cell_measurement_reflns_used    4862
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      2.1
_cell_volume                     6033(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω- & φ-scan'
_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  0.0920
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            62445
_diffrn_reflns_theta_full        26.25
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    2.173
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.814
_refine_diff_density_min         -1.528
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         12344
_refine_ls_number_restraints     197
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0743P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                7860
_reflns_number_total             12344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200607h_si_001.cif
_cod_data_source_block           shnay
_cod_depositor_comments
'Adding full bibliography for 4065180--4065189.cif.'
_cod_original_cell_volume        6032.6(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4065183
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
Pd1 Pd 0.20859(2) 0.43191(3) 0.30151(2) 0.01709(11) Uani 1 1 d .
Pd2 Pd 0.32307(2) 0.23837(3) 0.29971(2) 0.01785(12) Uani 1 1 d .
Br1 Br 0.10955(3) 0.40828(4) 0.20023(3) 0.03153(16) Uani 1 1 d .
Br2 Br 0.35677(4) 0.25991(4) 0.19842(3) 0.03233(17) Uani 1 1 d .
S1 S 0.17033(8) 0.29374(9) 0.32976(7) 0.0193(3) Uani 1 1 d .
S2 S 0.37915(8) 0.37704(9) 0.32535(6) 0.0185(3) Uani 1 1 d .
P1 P 0.24490(8) 0.56387(10) 0.27408(7) 0.0226(3) Uani 1 1 d .
P2 P 0.27075(8) 0.10577(10) 0.27313(7) 0.0202(3) Uani 1 1 d .
C11 C 0.2442(3) 0.5656(4) 0.1928(3) 0.0342(15) Uani 1 1 d DU
C12 C 0.2743(4) 0.4954(5) 0.1701(3) 0.0444(17) Uani 1 1 d DU
H12 H 0.2909 0.4461 0.1957 0.053 Uiso 1 1 calc R
C13 C 0.2805(5) 0.4970(7) 0.1086(4) 0.083(3) Uani 1 1 d DU
H13 H 0.3013 0.4487 0.0922 0.099 Uiso 1 1 calc R
C14 C 0.2562(6) 0.5692(8) 0.0726(4) 0.101(4) Uani 1 1 d DU
H14 H 0.2614 0.5716 0.0314 0.121 Uiso 1 1 calc R
C15 C 0.2242(6) 0.6384(8) 0.0962(4) 0.098(4) Uani 1 1 d DU
H15 H 0.2057 0.6869 0.0703 0.118 Uiso 1 1 calc R
C16 C 0.2189(4) 0.6379(5) 0.1563(4) 0.055(2) Uani 1 1 d DU
H16 H 0.1983 0.6863 0.1726 0.067 Uiso 1 1 calc R
C21 C 0.3385(3) 0.6103(4) 0.3130(3) 0.0276(14) Uani 1 1 d DU
C22 C 0.3918(3) 0.6258(4) 0.2803(3) 0.0337(15) Uani 1 1 d DU
H22 H 0.3798 0.6129 0.2371 0.040 Uiso 1 1 calc R
C23 C 0.4629(3) 0.6601(4) 0.3103(4) 0.0418(17) Uani 1 1 d DU
H23 H 0.4993 0.6708 0.2876 0.050 Uiso 1 1 calc R
C24 C 0.4803(4) 0.6784(4) 0.3726(3) 0.0431(18) Uani 1 1 d DU
H24 H 0.5290 0.7015 0.3931 0.052 Uiso 1 1 calc R
C25 C 0.4273(4) 0.6635(4) 0.4058(3) 0.0452(18) Uani 1 1 d DU
H25 H 0.4397 0.6763 0.4490 0.054 Uiso 1 1 calc R
C26 C 0.3563(4) 0.6298(4) 0.3762(3) 0.0365(16) Uani 1 1 d DU
H26 H 0.3197 0.6201 0.3989 0.044 Uiso 1 1 calc R
C31 C 0.1782(3) 0.6479(4) 0.2827(3) 0.0305(15) Uani 1 1 d DU
C32 C 0.1985(4) 0.7348(4) 0.2917(4) 0.074(3) Uani 1 1 d DU
H32 H 0.2499 0.7512 0.2958 0.089 Uiso 1 1 calc R
C33 C 0.1457(4) 0.7979(4) 0.2948(4) 0.069(3) Uani 1 1 d DU
H33 H 0.1608 0.8569 0.3007 0.082 Uiso 1 1 calc R
C34 C 0.0713(4) 0.7749(4) 0.2893(4) 0.0458(19) Uani 1 1 d DU
H34 H 0.0349 0.8181 0.2916 0.055 Uiso 1 1 calc R
C35 C 0.0497(3) 0.6904(4) 0.2808(3) 0.0304(14) Uani 1 1 d DU
H35 H -0.0018 0.6746 0.2768 0.036 Uiso 1 1 calc R
C36 C 0.1032(3) 0.6268(4) 0.2779(3) 0.0296(14) Uani 1 1 d DU
H36 H 0.0877 0.5678 0.2724 0.036 Uiso 1 1 calc R
C41 C 0.2395(3) 0.2547(3) 0.3974(3) 0.0203(12) Uani 1 1 d DU
C42 C 0.3058(3) 0.2251(3) 0.3846(3) 0.0221(12) Uani 1 1 d DU
C43 C 0.3633(3) 0.1935(4) 0.4352(3) 0.0250(13) Uani 1 1 d DU
H43 H 0.4096 0.1726 0.4286 0.030 Uiso 1 1 calc R
C44 C 0.3533(4) 0.1923(4) 0.4949(3) 0.0304(14) Uani 1 1 d DU
H44 H 0.3924 0.1701 0.5285 0.037 Uiso 1 1 calc R
C45 C 0.2869(4) 0.2232(4) 0.5054(3) 0.0332(15) Uani 1 1 d DU
H45 H 0.2803 0.2226 0.5462 0.040 Uiso 1 1 calc R
C46 C 0.2296(4) 0.2551(4) 0.4561(3) 0.0283(14) Uani 1 1 d DU
H46 H 0.1838 0.2771 0.4631 0.034 Uiso 1 1 calc R
C51 C 0.0871(3) 0.3091(4) 0.3561(3) 0.0233(13) Uani 1 1 d DU
C52 C 0.0573(3) 0.3903(4) 0.3603(3) 0.0314(15) Uani 1 1 d DU
H52 H 0.0837 0.4405 0.3528 0.038 Uiso 1 1 calc R
C53 C -0.0114(4) 0.3988(5) 0.3756(3) 0.0400(16) Uani 1 1 d DU
H53 H -0.0322 0.4548 0.3783 0.048 Uiso 1 1 calc R
C54 C -0.0494(4) 0.3258(5) 0.3868(3) 0.0453(18) Uani 1 1 d DU
H54 H -0.0962 0.3317 0.3977 0.054 Uiso 1 1 calc R
C55 C -0.0199(4) 0.2442(5) 0.3824(4) 0.0451(18) Uani 1 1 d DU
H55 H -0.0464 0.1942 0.3902 0.054 Uiso 1 1 calc R
C56 C 0.0482(3) 0.2351(4) 0.3666(3) 0.0316(15) Uani 1 1 d DU
H56 H 0.0682 0.1790 0.3629 0.038 Uiso 1 1 calc R
C61 C 0.2005(3) 0.0603(3) 0.3104(3) 0.0216(12) Uani 1 1 d DU
C62 C 0.2201(3) 0.0424(4) 0.3733(3) 0.0294(14) Uani 1 1 d DU
H62 H 0.2706 0.0533 0.3979 0.035 Uiso 1 1 calc R
C63 C 0.1669(4) 0.0090(4) 0.4003(3) 0.0365(16) Uani 1 1 d DU
H63 H 0.1807 -0.0028 0.4437 0.044 Uiso 1 1 calc R
C64 C 0.0938(3) -0.0076(4) 0.3651(3) 0.0330(15) Uani 1 1 d DU
H64 H 0.0574 -0.0309 0.3842 0.040 Uiso 1 1 calc R
C65 C 0.0734(3) 0.0096(4) 0.3022(3) 0.0276(13) Uani 1 1 d DU
H65 H 0.0231 -0.0020 0.2777 0.033 Uiso 1 1 calc R
C66 C 0.1264(3) 0.0436(4) 0.2755(3) 0.0247(13) Uani 1 1 d DU
H66 H 0.1123 0.0561 0.2323 0.030 Uiso 1 1 calc R
C71 C 0.2210(3) 0.0991(3) 0.1905(3) 0.0237(13) Uani 1 1 d DU
C72 C 0.1809(3) 0.1706(4) 0.1620(3) 0.0349(15) Uani 1 1 d DU
H72 H 0.1811 0.2226 0.1848 0.042 Uiso 1 1 calc R
C73 C 0.1402(4) 0.1662(5) 0.0999(3) 0.0500(19) Uani 1 1 d DU
H73 H 0.1129 0.2156 0.0802 0.060 Uiso 1 1 calc R
C74 C 0.1394(4) 0.0902(5) 0.0666(3) 0.0487(19) Uani 1 1 d DU
H74 H 0.1112 0.0872 0.0242 0.058 Uiso 1 1 calc R
C75 C 0.1794(4) 0.0195(5) 0.0951(3) 0.0412(17) Uani 1 1 d DU
H75 H 0.1791 -0.0327 0.0723 0.049 Uiso 1 1 calc R
C76 C 0.2202(3) 0.0238(4) 0.1571(3) 0.0283(14) Uani 1 1 d DU
H76 H 0.2478 -0.0255 0.1767 0.034 Uiso 1 1 calc R
C81 C 0.3466(3) 0.0235(3) 0.2888(3) 0.0220(12) Uani 1 1 d DU
C82 C 0.3318(3) -0.0628(4) 0.2959(3) 0.0348(16) Uani 1 1 d DU
H82 H 0.2811 -0.0812 0.2931 0.042 Uiso 1 1 calc R
C83 C 0.3903(4) -0.1230(4) 0.3070(3) 0.0377(16) Uani 1 1 d DU
H83 H 0.3799 -0.1825 0.3121 0.045 Uiso 1 1 calc R
C84 C 0.4634(3) -0.0966(4) 0.3107(3) 0.0337(15) Uani 1 1 d DU
H84 H 0.5036 -0.1378 0.3184 0.040 Uiso 1 1 calc R
C85 C 0.4782(3) -0.0110(4) 0.3035(3) 0.0266(13) Uani 1 1 d DU
H85 H 0.5288 0.0072 0.3063 0.032 Uiso 1 1 calc R
C86 C 0.4200(3) 0.0493(4) 0.2920(3) 0.0243(13) Uani 1 1 d DU
H86 H 0.4306 0.1086 0.2864 0.029 Uiso 1 1 calc R
C91 C 0.3594(3) 0.4177(3) 0.3937(3) 0.0199(12) Uani 1 1 d DU
C92 C 0.2841(3) 0.4452(3) 0.3849(3) 0.0186(12) Uani 1 1 d DU
C93 C 0.2628(3) 0.4763(4) 0.4365(3) 0.0238(13) Uani 1 1 d DU
H93 H 0.2117 0.4943 0.4322 0.029 Uiso 1 1 calc R
C94 C 0.3162(3) 0.4809(4) 0.4944(3) 0.0304(14) Uani 1 1 d DU
H94 H 0.3010 0.5012 0.5294 0.036 Uiso 1 1 calc R
C95 C 0.3905(3) 0.4564(4) 0.5012(3) 0.0288(14) Uani 1 1 d DU
H95 H 0.4270 0.4624 0.5404 0.035 Uiso 1 1 calc R
C96 C 0.4119(3) 0.4233(4) 0.4514(3) 0.0237(13) Uani 1 1 d DU
H96 H 0.4628 0.4041 0.4565 0.028 Uiso 1 1 calc R
C101 C 0.4798(3) 0.3615(3) 0.3462(2) 0.0202(12) Uani 1 1 d DU
C102 C 0.5135(3) 0.2807(4) 0.3589(3) 0.0305(14) Uani 1 1 d DU
H102 H 0.4830 0.2310 0.3599 0.037 Uiso 1 1 calc R
C103 C 0.5911(3) 0.2727(4) 0.3698(3) 0.0390(17) Uani 1 1 d DU
H103 H 0.6143 0.2172 0.3782 0.047 Uiso 1 1 calc R
C104 C 0.6355(3) 0.3449(4) 0.3689(3) 0.0355(15) Uani 1 1 d DU
H104 H 0.6893 0.3390 0.3768 0.043 Uiso 1 1 calc R
C105 C 0.6023(3) 0.4252(4) 0.3564(3) 0.0311(14) Uani 1 1 d DU
H105 H 0.6330 0.4748 0.3555 0.037 Uiso 1 1 calc R
C106 C 0.5250(3) 0.4339(4) 0.3453(3) 0.0256(13) Uani 1 1 d DU
H106 H 0.5022 0.4896 0.3369 0.031 Uiso 1 1 calc R
C111 C 0.8752(9) 0.3011(11) 0.5561(8) 0.164(6) Uiso 1 1 d .
H11A H 0.8989 0.2505 0.5413 0.197 Uiso 1 1 calc R
H11B H 0.8777 0.2909 0.6004 0.197 Uiso 1 1 calc R
Cl1 Cl 0.9293(2) 0.3947(3) 0.55081(15) 0.1333(14) Uani 1 1 d .
Cl2 Cl 0.7835(3) 0.3066(3) 0.5155(2) 0.196(2) Uani 1 1 d .
C112 C 0.4722(6) -0.0262(7) 0.4792(5) 0.086(3) Uiso 1 1 d D
C113 C 0.4252(8) -0.0773(9) 0.5118(7) 0.128(5) Uiso 1 1 d D
C114 C 0.3667(11) -0.1344(13) 0.4695(10) 0.221(9) Uiso 1 1 d D
C115 C 0.0368(6) 0.0025(9) 0.5186(6) 0.115(4) Uiso 1 1 d D
C116 C 0.0670(7) 0.0999(8) 0.5206(6) 0.115(4) Uiso 1 1 d D
C117 C 0.0019(10) 0.1502(11) 0.5285(8) 0.183(7) Uiso 1 1 d D
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'
P P 0.1023 0.0942 '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'
Br Br -0.2901 2.4595 '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
C92 Pd1 P1 88.98(14) .
C92 Pd1 S1 91.25(14) .
P1 Pd1 S1 179.76(6) .
C92 Pd1 Br1 176.31(15) .
P1 Pd1 Br1 94.45(4) .
S1 Pd1 Br1 85.32(4) .
C42 Pd2 P2 89.66(15) .
C42 Pd2 S2 91.73(15) .
P2 Pd2 S2 178.56(6) .
C42 Pd2 Br2 174.77(16) .
P2 Pd2 Br2 94.02(4) .
S2 Pd2 Br2 84.57(4) .
C51 S1 C41 103.6(3) .
C51 S1 Pd1 107.71(19) .
C41 S1 Pd1 109.58(18) .
C91 S2 C101 104.7(3) .
C91 S2 Pd2 110.65(18) .
C101 S2 Pd2 106.76(18) .
C11 P1 C31 105.7(3) .
C11 P1 C21 103.0(3) .
C31 P1 C21 103.5(3) .
C11 P1 Pd1 111.0(2) .
C31 P1 Pd1 110.93(19) .
C21 P1 Pd1 121.36(19) .
C71 P2 C81 107.3(3) .
C71 P2 C61 102.6(2) .
C81 P2 C61 103.3(2) .
C71 P2 Pd2 112.01(18) .
C81 P2 Pd2 109.33(18) .
C61 P2 Pd2 121.28(18) .
C12 C11 C16 121.4(7) .
C12 C11 P1 117.6(5) .
C16 C11 P1 120.9(6) .
C11 C12 C13 119.5(8) .
C14 C13 C12 119.1(9) .
C13 C14 C15 120.2(9) .
C16 C15 C14 121.0(9) .
C15 C16 C11 118.7(9) .
C22 C21 C26 119.5(6) .
C22 C21 P1 120.6(5) .
C26 C21 P1 119.8(5) .
C21 C22 C23 120.3(7) .
C24 C23 C22 119.8(7) .
C23 C24 C25 120.3(6) .
C24 C25 C26 120.1(7) .
C25 C26 C21 119.8(6) .
C36 C31 C32 117.2(6) .
C36 C31 P1 119.9(4) .
C32 C31 P1 122.8(5) .
C33 C32 C31 121.6(6) .
C34 C33 C32 119.8(6) .
C35 C34 C33 120.0(6) .
C34 C35 C36 120.0(6) .
C31 C36 C35 121.3(5) .
C46 C41 C42 122.8(5) .
C46 C41 S1 124.2(4) .
C42 C41 S1 113.0(4) .
C41 C42 C43 116.8(5) .
C41 C42 Pd2 121.6(4) .
C43 C42 Pd2 121.4(4) .
C44 C43 C42 120.8(6) .
C45 C44 C43 120.4(6) .
C44 C45 C46 119.7(6) .
C41 C46 C45 119.6(6) .
C52 C51 C56 120.3(6) .
C52 C51 S1 121.9(4) .
C56 C51 S1 117.5(4) .
C51 C52 C53 120.0(6) .
C54 C53 C52 119.7(6) .
C53 C54 C55 120.4(6) .
C54 C55 C56 120.2(6) .
C55 C56 C51 119.3(6) .
C62 C61 C66 118.7(5) .
C62 C61 P2 120.9(4) .
C66 C61 P2 120.4(4) .
C63 C62 C61 120.1(6) .
C62 C63 C64 120.5(6) .
C63 C64 C65 120.0(6) .
C66 C65 C64 119.3(6) .
C65 C66 C61 121.3(6) .
C76 C71 C72 119.7(6) .
C76 C71 P2 121.6(4) .
C72 C71 P2 118.6(5) .
C71 C72 C73 119.8(6) .
C74 C73 C72 120.2(7) .
C75 C74 C73 119.7(7) .
C74 C75 C76 120.1(6) .
C71 C76 C75 120.4(6) .
C82 C81 C86 119.4(5) .
C82 C81 P2 121.9(4) .
C86 C81 P2 118.7(4) .
C81 C82 C83 120.2(6) .
C84 C83 C82 120.0(6) .
C85 C84 C83 119.9(6) .
C84 C85 C86 120.4(5) .
C81 C86 C85 120.1(5) .
C96 C91 C92 121.2(5) .
C96 C91 S2 125.0(4) .
C92 C91 S2 113.8(4) .
C93 C92 C91 117.8(5) .
C93 C92 Pd1 121.9(4) .
C91 C92 Pd1 120.1(4) .
C94 C93 C92 120.2(5) .
C95 C94 C93 120.7(6) .
C94 C95 C96 119.8(6) .
C95 C96 C91 120.1(5) .
C102 C101 C106 119.6(5) .
C102 C101 S2 122.8(4) .
C106 C101 S2 117.4(4) .
C103 C102 C101 119.7(6) .
C102 C103 C104 120.3(6) .
C105 C104 C103 120.1(6) .
C106 C105 C104 120.0(6) .
C105 C106 C101 120.2(6) .
Cl2 C111 Cl1 114.5(10) .
C112 C112 C113 112.5(13) 3_656
C112 C113 C114 113.9(13) .
C115 C115 C116 110.0(14) 3_556
C117 C116 C115 102.5(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C92 2.005(6) .
Pd1 P1 2.2725(16) .
Pd1 S1 2.3774(15) .
Pd1 Br1 2.5115(11) .
Pd2 C42 2.013(6) .
Pd2 P2 2.2652(16) .
Pd2 S2 2.3711(15) .
Pd2 Br2 2.5187(9) .
S1 C51 1.783(6) .
S1 C41 1.790(6) .
S2 C91 1.773(6) .
S2 C101 1.782(5) .
P1 C11 1.812(7) .
P1 C31 1.820(6) .
P1 C21 1.837(6) .
P2 C71 1.826(6) .
P2 C81 1.837(6) .
P2 C61 1.841(6) .
C11 C12 1.369(9) .
C11 C16 1.384(8) .
C12 C13 1.407(9) .
C13 C14 1.375(12) .
C14 C15 1.385(12) .
C15 C16 1.371(11) .
C21 C22 1.383(8) .
C21 C26 1.392(8) .
C22 C23 1.393(8) .
C23 C24 1.371(9) .
C24 C25 1.384(9) .
C25 C26 1.386(8) .
C31 C36 1.378(7) .
C31 C32 1.389(8) .
C32 C33 1.382(9) .
C33 C34 1.372(8) .
C34 C35 1.359(8) .
C35 C36 1.395(7) .
C41 C46 1.372(8) .
C41 C42 1.389(8) .
C42 C43 1.405(8) .
C43 C44 1.393(8) .
C44 C45 1.376(9) .
C45 C46 1.387(9) .
C51 C52 1.377(7) .
C51 C56 1.395(7) .
C52 C53 1.387(8) .
C53 C54 1.379(8) .
C54 C55 1.381(9) .
C55 C56 1.384(8) .
C61 C62 1.381(7) .
C61 C66 1.388(7) .
C62 C63 1.371(8) .
C63 C64 1.376(8) .
C64 C65 1.379(8) .
C65 C66 1.366(7) .
C71 C76 1.379(7) .
C71 C72 1.378(8) .
C72 C73 1.387(9) .
C73 C74 1.386(9) .
C74 C75 1.369(9) .
C75 C76 1.385(8) .
C81 C82 1.374(7) .
C81 C86 1.378(7) .
C82 C83 1.383(8) .
C83 C84 1.372(8) .
C84 C85 1.365(8) .
C85 C86 1.380(7) .
C91 C96 1.386(8) .
C91 C92 1.397(7) .
C92 C93 1.396(8) .
C93 C94 1.395(8) .
C94 C95 1.372(8) .
C95 C96 1.372(8) .
C101 C102 1.383(7) .
C101 C106 1.389(7) .
C102 C103 1.373(8) .
C103 C104 1.379(8) .
C104 C105 1.373(8) .
C105 C106 1.369(7) .
C111 Cl2 1.676(16) .
C111 Cl1 1.769(16) .
C112 C112 1.425(19) 3_656
C112 C113 1.488(12) .
C113 C114 1.504(15) .
C115 C115 1.38(2) 3_556
C115 C116 1.595(13) .
C116 C117 1.466(14) .
