#------------------------------------------------------------------------------
#$Date: 2018-08-11 18:04:49 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209574 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/06/7000686.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_7000686
loop_
_publ_author_name
'Shin, Kyong-Soon'
'Son, Kyung-In'
'Kim, Jae Il'
'Hong, Chang Seop'
'Suh, Myungkoo'
'Noh, Dong-Youn'
_publ_section_title
;
 Heteroleptic binuclear palladium(II) and platinum(II) complexes
 containing 1,2-bis(diphenylphosphino)acetylene and
 1,2-benzenedithiolates: syntheses, crystal structures,
 electrochemistry and photoluminescence properties
;
_journal_coden_ASTM              DTARAF
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1767
_journal_page_last               1775
_journal_paper_doi               10.1039/b815013c
_journal_year                    2009
_chemical_formula_sum            'C67 H51 Cl9 P4 Pd2 S4'
_chemical_formula_weight         1640.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.5380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7965(3)
_cell_length_b                   14.0504(3)
_cell_length_c                   36.1985(8)
_cell_measurement_reflns_used    5733
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.995
_cell_measurement_theta_min      3.54
_cell_volume                     7003.6(3)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega & phi 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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0843
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            69043
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_T_max  0.9467
_exptl_absorpt_correction_T_min  0.6912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.532
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         17498
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1173
_refine_ls_R_factor_gt           0.0525
_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)+(0.0702P)²+2.4323P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                9528
_reflns_number_total             17498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B815013c.txt
_cod_data_source_block           pd_bdt_[Pd(bdt)]2(u-dppa)2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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      P2(1)/n
_cod_database_code               7000686
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.16000(2) 0.60183(2) 0.084412(9) 0.03712(10) Uani 1 1 d . . .
Pd2 Pd 0.54422(2) 0.30471(3) 0.151901(10) 0.04128(11) Uani 1 1 d . . .
P1 P 0.12884(8) 0.47207(9) 0.12059(3) 0.0401(3) Uani 1 1 d . . .
P2 P 0.27673(8) 0.52771(9) 0.05243(3) 0.0396(3) Uani 1 1 d . . .
P3 P 0.38735(8) 0.28128(9) 0.16778(3) 0.0424(3) Uani 1 1 d . . .
P4 P 0.52477(8) 0.46444(9) 0.14262(3) 0.0395(3) Uani 1 1 d . . .
C1 C 0.2300(3) 0.4056(3) 0.13757(13) 0.0421(11) Uani 1 1 d . . .
C2 C 0.2974(3) 0.3609(3) 0.15053(13) 0.0430(11) Uani 1 1 d . . .
C3 C 0.3730(3) 0.4929(3) 0.08304(12) 0.0427(11) Uani 1 1 d . . .
C4 C 0.4367(3) 0.4838(3) 0.10647(12) 0.0404(11) Uani 1 1 d . . .
C5 C 0.2358(3) 0.4198(4) 0.02921(12) 0.0443(11) Uani 1 1 d . . .
C6 C 0.2885(4) 0.3371(4) 0.03123(15) 0.0601(14) Uani 1 1 d . . .
H6 H 0.3477 0.3348 0.0449 0.072 Uiso 1 1 calc R . .
C7 C 0.2526(5) 0.2568(5) 0.01264(18) 0.0799(19) Uani 1 1 d . . .
H7 H 0.2890 0.2011 0.0133 0.096 Uiso 1 1 calc R . .
C8 C 0.1649(5) 0.2590(5) -0.00655(18) 0.0776(18) Uani 1 1 d . . .
H8 H 0.1406 0.2044 -0.0184 0.093 Uiso 1 1 calc R . .
C9 C 0.1132(4) 0.3404(5) -0.00838(16) 0.0758(18) Uani 1 1 d . . .
H9 H 0.0538 0.3419 -0.0220 0.091 Uiso 1 1 calc R . .
C10 C 0.1465(4) 0.4203(4) 0.00932(14) 0.0586(14) Uani 1 1 d . . .
H10 H 0.1094 0.4756 0.0081 0.070 Uiso 1 1 calc R . .
C11 C 0.3424(3) 0.5972(3) 0.01981(13) 0.0448(11) Uani 1 1 d . . .
C12 C 0.3276(4) 0.5862(4) -0.01773(14) 0.0621(15) Uani 1 1 d . . .
H12 H 0.2850 0.5397 -0.0272 0.075 Uiso 1 1 calc R . .
C13 C 0.3752(5) 0.6433(5) -0.04151(18) 0.082(2) Uani 1 1 d . . .
H13 H 0.3636 0.6359 -0.0669 0.098 Uiso 1 1 calc R . .
C14 C 0.4389(6) 0.7102(5) -0.0283(2) 0.091(2) Uani 1 1 d . . .
H14 H 0.4714 0.7482 -0.0446 0.109 Uiso 1 1 calc R . .
C15 C 0.4553(5) 0.7218(5) 0.0093(2) 0.086(2) Uani 1 1 d . . .
H15 H 0.4989 0.7678 0.0184 0.103 Uiso 1 1 calc R . .
C16 C 0.4075(4) 0.6659(4) 0.03348(16) 0.0659(15) Uani 1 1 d . . .
H16 H 0.4187 0.6740 0.0589 0.079 Uiso 1 1 calc R . .
C17 C 0.4775(3) 0.5251(4) 0.18147(14) 0.0484(12) Uani 1 1 d . . .
C18 C 0.4096(4) 0.5959(4) 0.17800(18) 0.0713(17) Uani 1 1 d . . .
H18 H 0.3857 0.6151 0.1546 0.086 Uiso 1 1 calc R . .
C19 C 0.3762(5) 0.6393(6) 0.2092(3) 0.102(3) Uani 1 1 d . . .
H19 H 0.3289 0.6865 0.2069 0.123 Uiso 1 1 calc R . .
C20 C 0.4135(8) 0.6118(7) 0.2432(3) 0.118(4) Uani 1 1 d . . .
H20 H 0.3919 0.6417 0.2640 0.142 Uiso 1 1 calc R . .
C21 C 0.4810(7) 0.5424(6) 0.2476(2) 0.102(3) Uani 1 1 d . . .
H21 H 0.5064 0.5257 0.2711 0.123 Uiso 1 1 calc R . .
C22 C 0.5116(5) 0.4967(5) 0.21660(16) 0.0721(17) Uani 1 1 d . . .
H22 H 0.5554 0.4466 0.2193 0.086 Uiso 1 1 calc R . .
C23 C 0.6231(3) 0.5388(3) 0.12824(13) 0.0435(11) Uani 1 1 d . . .
C24 C 0.6967(4) 0.5658(5) 0.15265(16) 0.0705(17) Uani 1 1 d . . .
H24 H 0.6959 0.5474 0.1773 0.085 Uiso 1 1 calc R . .
C25 C 0.7720(4) 0.6197(5) 0.14136(18) 0.082(2) Uani 1 1 d . . .
H25 H 0.8220 0.6370 0.1584 0.098 Uiso 1 1 calc R . .
C26 C 0.7746(4) 0.6483(5) 0.10566(19) 0.0744(17) Uani 1 1 d . . .
H26 H 0.8260 0.6852 0.0984 0.089 Uiso 1 1 calc R . .
C27 C 0.7016(4) 0.6228(4) 0.08049(17) 0.0704(17) Uani 1 1 d . . .
H27 H 0.7028 0.6423 0.0560 0.084 Uiso 1 1 calc R . .
C28 C 0.6254(4) 0.5674(4) 0.09178(15) 0.0618(15) Uani 1 1 d . . .
H28 H 0.5757 0.5494 0.0747 0.074 Uiso 1 1 calc R . .
C29 C 0.0562(3) 0.3836(4) 0.09570(13) 0.0454(11) Uani 1 1 d . . .
C30 C 0.0795(4) 0.2877(4) 0.09695(15) 0.0613(15) Uani 1 1 d . . .
H30 H 0.1345 0.2677 0.1110 0.074 Uiso 1 1 calc R . .
C31 C 0.0224(5) 0.2216(5) 0.07775(19) 0.0786(18) Uani 1 1 d . . .
H31 H 0.0388 0.1573 0.0787 0.094 Uiso 1 1 calc R . .
C32 C -0.0593(5) 0.2516(6) 0.05700(18) 0.085(2) Uani 1 1 d . . .
H32 H -0.0982 0.2074 0.0439 0.102 Uiso 1 1 calc R . .
C33 C -0.0829(4) 0.3448(6) 0.05568(18) 0.087(2) Uani 1 1 d . . .
H33 H -0.1377 0.3643 0.0415 0.105 Uiso 1 1 calc R . .
C34 C -0.0264(4) 0.4123(4) 0.07529(16) 0.0702(17) Uani 1 1 d . . .
H34 H -0.0443 0.4761 0.0746 0.084 Uiso 1 1 calc R . .
C35 C 0.0713(3) 0.4885(3) 0.16414(13) 0.0441(11) Uani 1 1 d . . .
C36 C -0.0246(4) 0.4651(4) 0.16783(16) 0.0675(16) Uani 1 1 d . . .
H36 H -0.0623 0.4431 0.1474 0.081 Uiso 1 1 calc R . .
C37 C -0.0651(5) 0.4739(5) 0.2015(2) 0.088(2) Uani 1 1 d . . .
H37 H -0.1302 0.4592 0.2038 0.106 Uiso 1 1 calc R . .
C38 C -0.0086(6) 0.5042(5) 0.23117(19) 0.087(2) Uani 1 1 d . . .
H38 H -0.0350 0.5077 0.2542 0.105 Uiso 1 1 calc R . .
C39 C 0.0847(5) 0.5294(5) 0.22812(16) 0.082(2) Uani 1 1 d . . .
H39 H 0.1219 0.5514 0.2487 0.098 Uiso 1 1 calc R . .
C40 C 0.1248(4) 0.5223(4) 0.19397(15) 0.0687(16) Uani 1 1 d . . .
H40 H 0.1888 0.5408 0.1915 0.082 Uiso 1 1 calc R . .
C41 C 0.3255(3) 0.1723(4) 0.15256(15) 0.0491(12) Uani 1 1 d . . .
C42 C 0.2620(4) 0.1262(4) 0.17451(17) 0.0639(15) Uani 1 1 d . . .
H42 H 0.2575 0.1448 0.1990 0.077 Uiso 1 1 calc R . .
C43 C 0.2052(4) 0.0525(5) 0.1602(2) 0.0776(18) Uani 1 1 d . . .
H43 H 0.1621 0.0221 0.1751 0.093 Uiso 1 1 calc R . .
C44 C 0.2117(5) 0.0244(5) 0.1250(2) 0.085(2) Uani 1 1 d . . .
H44 H 0.1734 -0.0254 0.1156 0.102 Uiso 1 1 calc R . .
C45 C 0.2754(5) 0.0695(5) 0.10290(18) 0.084(2) Uani 1 1 d . . .
H45 H 0.2794 0.0503 0.0785 0.101 Uiso 1 1 calc R . .
C46 C 0.3336(5) 0.1434(4) 0.11687(17) 0.0708(16) Uani 1 1 d . . .
H46 H 0.3775 0.1728 0.1021 0.085 Uiso 1 1 calc R . .
C47 C 0.3766(3) 0.2919(3) 0.21735(13) 0.0464(12) Uani 1 1 d . . .
C48 C 0.2964(4) 0.3343(4) 0.23198(15) 0.0609(14) Uani 1 1 d . . .
H48 H 0.2449 0.3564 0.2165 0.073 Uiso 1 1 calc R . .
C49 C 0.2950(5) 0.3430(5) 0.27024(17) 0.0753(17) Uani 1 1 d . . .
H49 H 0.2418 0.3716 0.2803 0.090 Uiso 1 1 calc R . .
C50 C 0.3688(5) 0.3109(5) 0.29303(16) 0.0762(18) Uani 1 1 d . . .
H50 H 0.3666 0.3177 0.3185 0.091 Uiso 1 1 calc R . .
C51 C 0.4461(5) 0.2688(5) 0.27855(18) 0.083(2) Uani 1 1 d . . .
H51 H 0.4962 0.2455 0.2944 0.100 Uiso 1 1 calc R . .
C52 C 0.4524(4) 0.2596(4) 0.24056(15) 0.0643(15) Uani 1 1 d . . .
H52 H 0.5068 0.2321 0.2310 0.077 Uiso 1 1 calc R . .
S1 S 0.04717(9) 0.68484(9) 0.11483(4) 0.0489(3) Uani 1 1 d . . .
S2 S 0.17316(9) 0.72801(9) 0.04546(4) 0.0506(3) Uani 1 1 d . . .
C53 C 0.0871(3) 0.8097(3) 0.05954(13) 0.0461(11) Uani 1 1 d . . .
C54 C 0.0727(4) 0.8947(4) 0.04028(15) 0.0616(14) Uani 1 1 d . . .
H54 H 0.1092 0.9071 0.0201 0.074 Uiso 1 1 calc R . .
C55 C 0.0073(5) 0.9594(4) 0.05016(17) 0.0700(16) Uani 1 1 d . . .
H55 H -0.0012 1.0157 0.0368 0.084 Uiso 1 1 calc R . .
C56 C -0.0471(5) 0.9422(4) 0.07999(18) 0.0748(18) Uani 1 1 d . . .
H56 H -0.0921 0.9871 0.0868 0.090 Uiso 1 1 calc R . .
C57 C -0.0353(4) 0.8579(4) 0.10006(15) 0.0617(14) Uani 1 1 d . . .
H57 H -0.0725 0.8462 0.1201 0.074 Uiso 1 1 calc R . .
C58 C 0.0328(3) 0.7913(3) 0.08981(14) 0.0465(12) Uani 1 1 d . . .
S3 S 0.56695(10) 0.14426(10) 0.15855(5) 0.0646(4) Uani 1 1 d . . .
S4 S 0.70641(9) 0.32133(10) 0.14493(4) 0.0526(3) Uani 1 1 d . . .
C59 C 0.7525(4) 0.2063(4) 0.15088(13) 0.0530(13) Uani 1 1 d . . .
C60 C 0.8525(4) 0.1911(5) 0.14947(15) 0.0694(17) Uani 1 1 d . . .
H60 H 0.8932 0.2418 0.1447 0.083 Uiso 1 1 calc R . .
C61 C 0.8913(5) 0.1005(5) 0.15516(17) 0.080(2) Uani 1 1 d . . .
H61 H 0.9577 0.0908 0.1541 0.096 Uiso 1 1 calc R . .
C62 C 0.8322(5) 0.0261(5) 0.16219(17) 0.080(2) Uani 1 1 d . . .
H62 H 0.8586 -0.0343 0.1661 0.097 Uiso 1 1 calc R . .
C63 C 0.7331(5) 0.0394(4) 0.16356(15) 0.0722(17) Uani 1 1 d . . .
H63 H 0.6930 -0.0118 0.1684 0.087 Uiso 1 1 calc R . .
C64 C 0.6933(4) 0.1298(4) 0.15768(14) 0.0570(14) Uani 1 1 d . . .
C65 C 0.4545(7) 0.8711(8) 0.1350(3) 0.154(3) Uani 1 1 d DU . .
H65 H 0.4660 0.9284 0.1205 0.185 Uiso 1 1 calc R . .
Cl1 Cl 0.4383(2) 0.9020(2) 0.17925(8) 0.1504(10) Uani 1 1 d DU . .
Cl2 Cl 0.3482(3) 0.8148(2) 0.11729(12) 0.242(2) Uani 1 1 d DU . .
Cl3 Cl 0.5492(3) 0.7940(3) 0.13175(11) 0.2092(16) Uani 1 1 d DU . .
C66 C 0.7325(5) 0.7625(5) 0.2548(2) 0.097(2) Uani 1 1 d DU . .
H66 H 0.7405 0.7691 0.2818 0.116 Uiso 1 1 calc R . .
Cl4 Cl 0.7749(2) 0.8650(2) 0.23564(8) 0.1569(11) Uani 1 1 d DU . .
Cl5 Cl 0.61224(19) 0.7501(2) 0.24327(11) 0.1876(14) Uani 1 1 d DU . .
Cl6 Cl 0.79386(19) 0.6622(2) 0.24286(7) 0.1418(9) Uani 1 1 d DU . .
C67 C 0.6498(7) 0.0273(9) 0.0637(3) 0.195(4) Uani 1 1 d DU . .
H67 H 0.6636 0.0602 0.0873 0.234 Uiso 1 1 calc R . .
Cl7 Cl 0.5246(2) 0.0237(3) 0.05114(11) 0.2034(15) Uani 1 1 d DU . .
Cl8 Cl 0.6872(3) -0.0951(3) 0.06591(15) 0.2334(18) Uani 1 1 d DU . .
Cl9 Cl 0.7068(3) 0.0764(4) 0.0301(2) 0.409(5) 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'
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'
Pd Pd -0.9988 1.0072 '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'
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
S2 Pd1 S1 89.07(5) . . ?
S2 Pd1 P2 87.46(4) . . ?
S1 Pd1 P2 176.29(5) . . ?
S2 Pd1 P1 173.34(5) . . ?
S1 Pd1 P1 88.48(4) . . ?
P2 Pd1 P1 95.12(4) . . ?
S4 Pd2 P4 89.45(5) . . ?
S4 Pd2 S3 89.05(5) . . ?
P4 Pd2 S3 177.28(5) . . ?
S4 Pd2 P3 171.48(5) . . ?
P4 Pd2 P3 94.23(4) . . ?
S3 Pd2 P3 87.57(5) . . ?
C1 P1 C29 102.3(2) . . ?
C1 P1 C35 98.3(2) . . ?
C29 P1 C35 105.1(2) . . ?
C1 P1 Pd1 116.58(15) . . ?
C29 P1 Pd1 112.30(17) . . ?
C35 P1 Pd1 119.88(16) . . ?
C3 P2 C5 105.3(2) . . ?
C3 P2 C11 100.0(2) . . ?
C5 P2 C11 107.6(2) . . ?
C3 P2 Pd1 109.73(16) . . ?
C5 P2 Pd1 114.05(15) . . ?
C11 P2 Pd1 118.58(16) . . ?
C2 P3 C47 101.6(2) . . ?
C2 P3 C41 96.9(2) . . ?
C47 P3 C41 107.6(2) . . ?
C2 P3 Pd2 118.38(16) . . ?
C47 P3 Pd2 111.78(16) . . ?
C41 P3 Pd2 118.42(16) . . ?
C4 P4 C17 104.0(2) . . ?
C4 P4 C23 101.1(2) . . ?
C17 P4 C23 105.4(2) . . ?
C4 P4 Pd2 109.41(16) . . ?
C17 P4 Pd2 113.30(17) . . ?
C23 P4 Pd2 121.69(15) . . ?
C2 C1 P1 177.3(4) . . ?
C1 C2 P3 172.2(4) . . ?
C4 C3 P2 169.1(5) . . ?
C3 C4 P4 175.7(4) . . ?
C6 C5 C10 118.9(5) . . ?
C6 C5 P2 122.5(4) . . ?
C10 C5 P2 118.6(4) . . ?
C5 C6 C7 119.4(5) . . ?
C8 C7 C6 120.7(6) . . ?
C9 C8 C7 119.7(6) . . ?
C8 C9 C10 121.1(6) . . ?
C9 C10 C5 120.2(6) . . ?
C12 C11 C16 119.0(5) . . ?
C12 C11 P2 122.3(4) . . ?
C16 C11 P2 118.6(4) . . ?
C11 C12 C13 120.6(6) . . ?
C14 C13 C12 120.6(6) . . ?
C13 C14 C15 119.7(6) . . ?
C16 C15 C14 120.4(7) . . ?
C15 C16 C11 119.7(6) . . ?
C18 C17 C22 119.0(5) . . ?
C18 C17 P4 123.5(4) . . ?
C22 C17 P4 117.4(4) . . ?
C17 C18 C19 120.4(7) . . ?
C20 C19 C18 119.0(8) . . ?
C21 C20 C19 122.2(8) . . ?
C20 C21 C22 118.8(8) . . ?
C21 C22 C17 120.5(7) . . ?
C24 C23 C28 118.7(5) . . ?
C24 C23 P4 121.1(4) . . ?
C28 C23 P4 120.2(4) . . ?
C23 C24 C25 120.7(5) . . ?
C26 C25 C24 121.0(5) . . ?
C25 C26 C27 119.8(6) . . ?
C26 C27 C28 119.5(6) . . ?
C23 C28 C27 120.4(5) . . ?
C34 C29 C30 118.9(5) . . ?
C34 C29 P1 118.8(4) . . ?
C30 C29 P1 122.3(4) . . ?
C31 C30 C29 121.0(6) . . ?
C30 C31 C32 119.3(6) . . ?
C33 C32 C31 120.1(6) . . ?
C32 C33 C34 121.1(6) . . ?
C29 C34 C33 119.5(6) . . ?
C40 C35 C36 119.1(5) . . ?
C40 C35 P1 119.2(4) . . ?
C36 C35 P1 121.7(4) . . ?
C37 C36 C35 120.6(6) . . ?
C38 C37 C36 119.0(6) . . ?
C39 C38 C37 121.5(6) . . ?
C38 C39 C40 119.3(6) . . ?
C35 C40 C39 120.4(6) . . ?
C46 C41 C42 119.8(5) . . ?
C46 C41 P3 118.2(4) . . ?
C42 C41 P3 121.5(4) . . ?
C43 C42 C41 120.2(6) . . ?
C44 C43 C42 120.4(6) . . ?
C43 C44 C45 119.9(6) . . ?
C44 C45 C46 120.4(6) . . ?
C41 C46 C45 119.2(6) . . ?
C52 C47 C48 120.1(5) . . ?
C52 C47 P3 118.1(4) . . ?
C48 C47 P3 121.8(4) . . ?
C47 C48 C49 118.5(5) . . ?
C50 C49 C48 121.5(6) . . ?
C49 C50 C51 119.5(6) . . ?
C50 C51 C52 121.6(6) . . ?
C47 C52 C51 118.8(5) . . ?
C58 S1 Pd1 104.21(17) . . ?
C53 S2 Pd1 104.40(17) . . ?
C58 C53 C54 119.2(5) . . ?
C58 C53 S2 121.1(4) . . ?
C54 C53 S2 119.7(4) . . ?
C55 C54 C53 121.6(6) . . ?
C54 C55 C56 119.8(5) . . ?
C55 C56 C57 120.5(5) . . ?
C58 C57 C56 119.4(5) . . ?
C53 C58 C57 119.4(5) . . ?
C53 C58 S1 121.1(4) . . ?
C57 C58 S1 119.5(4) . . ?
C64 S3 Pd2 104.0(2) . . ?
C59 S4 Pd2 104.12(19) . . ?
C64 C59 C60 118.8(5) . . ?
C64 C59 S4 121.9(4) . . ?
C60 C59 S4 119.3(5) . . ?
C61 C60 C59 120.3(6) . . ?
C62 C61 C60 120.2(6) . . ?
C61 C62 C63 120.5(6) . . ?
C62 C63 C64 119.8(6) . . ?
C59 C64 C63 120.3(5) . . ?
C59 C64 S3 120.8(4) . . ?
C63 C64 S3 118.9(5) . . ?
Cl1 C65 Cl3 112.1(6) . . ?
Cl1 C65 Cl2 107.9(6) . . ?
Cl3 C65 Cl2 108.3(6) . . ?
Cl5 C66 Cl6 110.2(4) . . ?
Cl5 C66 Cl4 109.8(4) . . ?
Cl6 C66 Cl4 113.7(4) . . ?
Cl9 C67 Cl7 109.2(6) . . ?
Cl9 C67 Cl8 106.6(6) . . ?
Cl7 C67 Cl8 105.0(7) . . ?
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 S2 2.2795(13) . ?
Pd1 S1 2.2820(12) . ?
Pd1 P2 2.2908(12) . ?
Pd1 P1 2.3008(13) . ?
Pd2 S4 2.2793(12) . ?
Pd2 P4 2.2827(13) . ?
Pd2 S3 2.2867(15) . ?
Pd2 P3 2.2970(12) . ?
P1 C1 1.758(5) . ?
P1 C29 1.803(5) . ?
P1 C35 1.823(5) . ?
P2 C3 1.746(5) . ?
P2 C5 1.807(5) . ?
P2 C11 1.817(5) . ?
P3 C2 1.756(5) . ?
P3 C47 1.815(5) . ?
P3 C41 1.821(5) . ?
P4 C4 1.751(5) . ?
P4 C17 1.801(5) . ?
P4 C23 1.815(5) . ?
C1 C2 1.194(6) . ?
C3 C4 1.190(6) . ?
C5 C6 1.369(7) . ?
C5 C10 1.388(6) . ?
C6 C7 1.390(8) . ?
C7 C8 1.357(9) . ?
C8 C9 1.347(9) . ?
C9 C10 1.359(8) . ?
C11 C12 1.370(7) . ?
C11 C16 1.388(7) . ?
C12 C13 1.373(8) . ?
C13 C14 1.354(10) . ?
C14 C15 1.376(10) . ?
C15 C16 1.375(8) . ?
C17 C18 1.366(7) . ?
C17 C22 1.387(7) . ?
C18 C19 1.387(9) . ?
C19 C20 1.360(12) . ?
C20 C21 1.350(12) . ?
C21 C22 1.381(9) . ?
C23 C24 1.357(7) . ?
C23 C28 1.382(7) . ?
C24 C25 1.369(8) . ?
C25 C26 1.356(8) . ?
C26 C27 1.364(8) . ?
C27 C28 1.389(7) . ?
C29 C34 1.380(7) . ?
C29 C30 1.385(7) . ?
C30 C31 1.378(7) . ?
C31 C32 1.382(9) . ?
C32 C33 1.350(10) . ?
C33 C34 1.393(8) . ?
C35 C40 1.356(7) . ?
C35 C36 1.378(7) . ?
C36 C37 1.376(8) . ?
C37 C38 1.357(9) . ?
C38 C39 1.347(9) . ?
C39 C40 1.389(8) . ?
C41 C46 1.365(7) . ?
C41 C42 1.380(7) . ?
C42 C43 1.380(8) . ?
C43 C44 1.341(9) . ?
C44 C45 1.380(9) . ?
C45 C46 1.387(9) . ?
C47 C52 1.377(7) . ?
C47 C48 1.390(7) . ?
C48 C49 1.392(7) . ?
C49 C50 1.348(8) . ?
C50 C51 1.353(9) . ?
C51 C52 1.389(8) . ?
S1 C58 1.753(5) . ?
S2 C53 1.750(5) . ?
C53 C58 1.390(7) . ?
C53 C54 1.391(7) . ?
C54 C55 1.345(7) . ?
C55 C56 1.374(8) . ?
C56 C57 1.394(8) . ?
C57 C58 1.392(7) . ?
S3 C64 1.758(5) . ?
S4 C59 1.745(5) . ?
C59 C64 1.380(7) . ?
C59 C60 1.400(7) . ?
C60 C61 1.391(8) . ?
C61 C62 1.358(9) . ?
C62 C63 1.385(8) . ?
C63 C64 1.395(7) . ?
C65 Cl1 1.686(9) . ?
C65 Cl3 1.707(9) . ?
C65 Cl2 1.753(10) . ?
C66 Cl5 1.695(7) . ?
C66 Cl6 1.712(7) . ?
C66 Cl4 1.717(7) . ?
C67 Cl9 1.641(10) . ?
C67 Cl7 1.759(10) . ?
C67 Cl8 1.796(11) . ?
