#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:18:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178558 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/66/4066649.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_4066649
loop_
_publ_author_name
'Yih, Kuang-Hway'
'Lee, Gene-Hsiang'
_publ_section_title
;
 Thiocarbarmoyl-Assisted Formation of a New Type of α- and β-Isomer
 Paddlewheel Pd24+Compounds. Synthesis, Characterization, and Crystal
 Structures of [Pd(η1-SCNMe2)(η2-Tp)(PPh3)],
 [Pd2(μ-Hdppa)2(μ-SCNMe2)2][Cl]2, [Pd2(μ-dppa)2(μ-SCNMe2)2], and
 [Pd{η2-S2P(OEt)2}]2(μ-dppa)(μ-SCNMe2)
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3397
_journal_paper_doi               10.1021/om100558m
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C55 H56 Cl2 N4 P4 Pd2 S2'
_chemical_formula_weight         1244.74
_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                96.7140(5)
_cell_angle_beta                 99.9175(5)
_cell_angle_gamma                91.8110(5)
_cell_formula_units_Z            2
_cell_length_a                   10.0555(1)
_cell_length_b                   14.0072(2)
_cell_length_c                   19.5046(3)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.07
_cell_volume                     2683.84(6)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'ω 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  0.1084
_diffrn_reflns_av_sigmaI/netI    0.1139
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56272
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.067
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.255
_refine_ls_extinction_coef       0.0069(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         12312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0759P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                7729
_reflns_number_total             12312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100558m_si_001.cif
_cod_data_source_block           ic9332
_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               4066649
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 -0.02050(4) 0.06220(3) -0.04861(2) 0.01688(12) Uani 1 1 d .
Pd2 Pd -0.02194(4) 0.41649(3) 0.45569(2) 0.01699(12) Uani 1 1 d .
S1 S 0.20329(13) 0.00156(9) -0.04976(7) 0.0215(3) Uani 1 1 d .
S2 S 0.19366(13) 0.48469(9) 0.44313(7) 0.0220(3) Uani 1 1 d .
P1 P 0.06394(13) 0.19143(9) 0.03707(7) 0.0191(3) Uani 1 1 d .
P2 P 0.11195(13) 0.06008(9) 0.13820(7) 0.0188(3) Uani 1 1 d .
P3 P 0.08919(13) 0.32826(9) 0.54154(7) 0.0189(3) Uani 1 1 d .
P4 P 0.13659(13) 0.50301(9) 0.63402(7) 0.0187(3) Uani 1 1 d .
N1 N 0.3003(4) -0.1230(3) 0.0373(2) 0.0223(10) Uani 1 1 d .
N2 N 0.1118(4) 0.1668(3) 0.1169(2) 0.0220(10) Uani 1 1 d .
H2A H 0.1390 0.2149 0.1501 0.026 Uiso 1 1 calc R
N3 N 0.2956(4) 0.6500(3) 0.5151(2) 0.0211(10) Uani 1 1 d .
N4 N 0.1659(4) 0.3915(3) 0.6128(2) 0.0246(10) Uani 1 1 d .
H4A H 0.2264 0.3641 0.6413 0.029 Uiso 1 1 calc R
C1 C 0.1977(5) -0.0714(3) 0.0157(3) 0.0187(11) Uani 1 1 d .
C2 C 0.4268(5) -0.1240(4) 0.0084(3) 0.0279(13) Uani 1 1 d .
H2B H 0.4202 -0.0821 -0.0288 0.042 Uiso 1 1 calc R
H2C H 0.4412 -0.1898 -0.0110 0.042 Uiso 1 1 calc R
H2D H 0.5029 -0.1007 0.0458 0.042 Uiso 1 1 calc R
C3 C 0.2998(5) -0.1831(4) 0.0932(3) 0.0272(13) Uani 1 1 d .
H3A H 0.2134 -0.1790 0.1099 0.041 Uiso 1 1 calc R
H3B H 0.3737 -0.1608 0.1321 0.041 Uiso 1 1 calc R
H3C H 0.3120 -0.2500 0.0754 0.041 Uiso 1 1 calc R
C4 C 0.2060(5) 0.2554(4) 0.0126(3) 0.0215(11) Uani 1 1 d .
C5 C 0.2194(5) 0.2520(4) -0.0575(3) 0.0264(13) Uani 1 1 d .
H5A H 0.1557 0.2143 -0.0927 0.032 Uiso 1 1 calc R
C6 C 0.3254(6) 0.3032(4) -0.0765(3) 0.0332(14) Uani 1 1 d .
H6A H 0.3334 0.3007 -0.1245 0.040 Uiso 1 1 calc R
C7 C 0.4187(6) 0.3577(4) -0.0256(3) 0.0327(14) Uani 1 1 d .
H7A H 0.4918 0.3920 -0.0385 0.039 Uiso 1 1 calc R
C8 C 0.4057(5) 0.3622(4) 0.0447(3) 0.0324(14) Uani 1 1 d .
H8A H 0.4689 0.4006 0.0796 0.039 Uiso 1 1 calc R
C9 C 0.3000(5) 0.3104(4) 0.0638(3) 0.0258(12) Uani 1 1 d .
H9A H 0.2923 0.3127 0.1119 0.031 Uiso 1 1 calc R
C10 C -0.0539(5) 0.2870(3) 0.0438(3) 0.0194(11) Uani 1 1 d .
C11 C -0.0629(5) 0.3620(4) 0.0025(3) 0.0259(12) Uani 1 1 d .
H11A H -0.0042 0.3655 -0.0305 0.031 Uiso 1 1 calc R
C12 C -0.1559(5) 0.4313(4) 0.0089(3) 0.0301(13) Uani 1 1 d .
H12A H -0.1607 0.4821 -0.0195 0.036 Uiso 1 1 calc R
C13 C -0.2421(5) 0.4271(4) 0.0565(3) 0.0293(13) Uani 1 1 d .
H13A H -0.3056 0.4752 0.0612 0.035 Uiso 1 1 calc R
C14 C -0.2356(5) 0.3519(4) 0.0977(3) 0.0300(13) Uani 1 1 d .
H14A H -0.2951 0.3487 0.1303 0.036 Uiso 1 1 calc R
C15 C -0.1428(5) 0.2820(4) 0.0912(3) 0.0231(12) Uani 1 1 d .
H15A H -0.1395 0.2305 0.1191 0.028 Uiso 1 1 calc R
C16 C 0.2864(5) 0.0453(4) 0.1807(3) 0.0219(12) Uani 1 1 d .
C17 C 0.3895(5) 0.0689(4) 0.1456(3) 0.0269(13) Uani 1 1 d .
H17A H 0.3682 0.0955 0.1026 0.032 Uiso 1 1 calc R
C18 C 0.5227(6) 0.0543(4) 0.1724(3) 0.0353(15) Uani 1 1 d .
H18A H 0.5924 0.0700 0.1477 0.042 Uiso 1 1 calc R
C19 C 0.5538(6) 0.0168(5) 0.2354(3) 0.0419(17) Uani 1 1 d .
H19A H 0.6453 0.0068 0.2538 0.050 Uiso 1 1 calc R
C20 C 0.4549(6) -0.0058(5) 0.2712(3) 0.0402(16) Uani 1 1 d .
H20A H 0.4774 -0.0306 0.3148 0.048 Uiso 1 1 calc R
C21 C 0.3204(6) 0.0076(4) 0.2436(3) 0.0296(13) Uani 1 1 d .
H21A H 0.2512 -0.0092 0.2683 0.035 Uiso 1 1 calc R
C22 C 0.0223(5) 0.0571(4) 0.2120(3) 0.0226(12) Uani 1 1 d .
C23 C -0.0144(5) -0.0300(4) 0.2326(3) 0.0267(12) Uani 1 1 d .
H23A H 0.0007 -0.0888 0.2062 0.032 Uiso 1 1 calc R
C24 C -0.0735(6) -0.0313(5) 0.2921(3) 0.0358(15) Uani 1 1 d .
H24A H -0.0970 -0.0910 0.3066 0.043 Uiso 1 1 calc R
C25 C -0.0980(6) 0.0542(5) 0.3303(3) 0.0400(16) Uani 1 1 d .
H25A H -0.1370 0.0530 0.3712 0.048 Uiso 1 1 calc R
C26 C -0.0658(6) 0.1412(5) 0.3087(3) 0.0394(16) Uani 1 1 d .
H26A H -0.0861 0.1997 0.3336 0.047 Uiso 1 1 calc R
C27 C -0.0038(5) 0.1428(4) 0.2506(3) 0.0279(13) Uani 1 1 d .
H27A H 0.0211 0.2028 0.2369 0.033 Uiso 1 1 calc R
C28 C 0.1927(5) 0.5865(4) 0.5032(3) 0.0203(11) Uani 1 1 d .
C29 C 0.4134(5) 0.6382(4) 0.4805(3) 0.0300(13) Uani 1 1 d .
H29A H 0.4021 0.5772 0.4493 0.045 Uiso 1 1 calc R
H29B H 0.4952 0.6379 0.5160 0.045 Uiso 1 1 calc R
H29C H 0.4217 0.6916 0.4529 0.045 Uiso 1 1 calc R
C30 C 0.2988(5) 0.7381(4) 0.5638(3) 0.0260(12) Uani 1 1 d .
H30A H 0.2165 0.7392 0.5844 0.039 Uiso 1 1 calc R
H30B H 0.3041 0.7942 0.5385 0.039 Uiso 1 1 calc R
H30C H 0.3780 0.7401 0.6012 0.039 Uiso 1 1 calc R
C31 C 0.2157(5) 0.2499(4) 0.5103(3) 0.0208(11) Uani 1 1 d .
C32 C 0.2250(6) 0.2331(4) 0.4400(3) 0.0291(13) Uani 1 1 d .
H32A H 0.1676 0.2648 0.4068 0.035 Uiso 1 1 calc R
C33 C 0.3171(6) 0.1708(4) 0.4175(3) 0.0327(14) Uani 1 1 d .
H33A H 0.3220 0.1590 0.3691 0.039 Uiso 1 1 calc R
C34 C 0.4024(6) 0.1256(4) 0.4661(3) 0.0330(14) Uani 1 1 d .
H34A H 0.4663 0.0832 0.4508 0.040 Uiso 1 1 calc R
C35 C 0.3944(6) 0.1420(4) 0.5362(3) 0.0360(15) Uani 1 1 d .
H35A H 0.4524 0.1108 0.5694 0.043 Uiso 1 1 calc R
C36 C 0.3016(5) 0.2042(4) 0.5581(3) 0.0287(13) Uani 1 1 d .
H36A H 0.2966 0.2157 0.6065 0.034 Uiso 1 1 calc R
C37 C -0.0236(5) 0.2371(4) 0.5655(3) 0.0211(11) Uani 1 1 d .
C38 C -0.0444(5) 0.1437(4) 0.5291(3) 0.0238(12) Uani 1 1 d .
H38A H 0.0069 0.1246 0.4937 0.029 Uiso 1 1 calc R
C39 C -0.1390(6) 0.0793(4) 0.5444(3) 0.0299(13) Uani 1 1 d .
H39A H -0.1525 0.0165 0.5192 0.036 Uiso 1 1 calc R
C40 C -0.2140(6) 0.1055(4) 0.5961(3) 0.0344(14) Uani 1 1 d .
H40A H -0.2782 0.0608 0.6067 0.041 Uiso 1 1 calc R
C41 C -0.1951(6) 0.1969(4) 0.6321(3) 0.0325(14) Uani 1 1 d .
H41A H -0.2470 0.2153 0.6673 0.039 Uiso 1 1 calc R
C42 C -0.1009(6) 0.2619(4) 0.6172(3) 0.0292(13) Uani 1 1 d .
H42A H -0.0886 0.3246 0.6427 0.035 Uiso 1 1 calc R
C43 C 0.0518(5) 0.5086(4) 0.7102(3) 0.0220(12) Uani 1 1 d .
C44 C 0.0665(6) 0.4354(4) 0.7530(3) 0.0326(14) Uani 1 1 d .
H44A H 0.1227 0.3841 0.7433 0.039 Uiso 1 1 calc R
C45 C 0.0002(7) 0.4368(5) 0.8095(3) 0.0427(16) Uani 1 1 d .
H45A H 0.0113 0.3868 0.8386 0.051 Uiso 1 1 calc R
C46 C -0.0822(6) 0.5109(5) 0.8236(3) 0.0408(16) Uani 1 1 d .
H46A H -0.1297 0.5109 0.8617 0.049 Uiso 1 1 calc R
C47 C -0.0960(6) 0.5853(5) 0.7823(3) 0.0373(15) Uani 1 1 d .
H47A H -0.1495 0.6377 0.7933 0.045 Uiso 1 1 calc R
C48 C -0.0312(5) 0.5828(4) 0.7249(3) 0.0284(13) Uani 1 1 d .
H48A H -0.0438 0.6323 0.6954 0.034 Uiso 1 1 calc R
C49 C 0.2999(5) 0.5644(4) 0.6723(3) 0.0216(11) Uani 1 1 d .
C50 C 0.3123(6) 0.6423(4) 0.7251(3) 0.0285(13) Uani 1 1 d .
H50A H 0.2353 0.6615 0.7443 0.034 Uiso 1 1 calc R
C51 C 0.4375(6) 0.6925(4) 0.7499(3) 0.0329(14) Uani 1 1 d .
H51A H 0.4458 0.7438 0.7871 0.039 Uiso 1 1 calc R
C52 C 0.5469(6) 0.6679(5) 0.7209(3) 0.0368(15) Uani 1 1 d .
H52A H 0.6306 0.7039 0.7364 0.044 Uiso 1 1 calc R
C53 C 0.5369(6) 0.5898(4) 0.6681(3) 0.0358(15) Uani 1 1 d .
H53A H 0.6145 0.5715 0.6491 0.043 Uiso 1 1 calc R
C54 C 0.4152(5) 0.5394(4) 0.6438(3) 0.0288(13) Uani 1 1 d .
H54A H 0.4088 0.4873 0.6073 0.035 Uiso 1 1 calc R
C55 C 0.5142(14) 0.6405(6) 0.2662(5) 0.128(5) Uani 1 1 d .
H55A H 0.6020 0.6244 0.2928 0.153 Uiso 1 1 calc R
H55B H 0.4441 0.6291 0.2947 0.153 Uiso 1 1 calc R
Cl1 Cl 0.5220(4) 0.76168(17) 0.25577(12) 0.1358(15) Uani 1 1 d .
Cl2 Cl 0.4786(3) 0.5650(2) 0.18953(14) 0.1115(10) Uani 1 1 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'
N N 0.0061 0.0033 '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'
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
C1 Pd1 P2 90.93(14) 2 2
C1 Pd1 P1 88.17(14) 2 .
P2 Pd1 P1 176.49(5) 2 .
C1 Pd1 S1 154.34(15) 2 .
P2 Pd1 S1 89.82(5) 2 .
P1 Pd1 S1 92.45(5) . .
C1 Pd1 Pd1 81.54(14) 2 2
P2 Pd1 Pd1 92.60(4) 2 2
P1 Pd1 Pd1 90.62(4) . 2
S1 Pd1 Pd1 72.80(3) . 2
C28 Pd2 P3 91.50(14) 2_566 .
C28 Pd2 P4 88.60(14) 2_566 2_566
P3 Pd2 P4 176.95(5) . 2_566
C28 Pd2 S2 154.19(15) 2_566 .
P3 Pd2 S2 89.17(5) . .
P4 Pd2 S2 92.06(5) 2_566 .
C28 Pd2 Pd2 80.57(14) 2_566 2_566
P3 Pd2 Pd2 92.14(4) . 2_566
P4 Pd2 Pd2 90.88(4) 2_566 2_566
S2 Pd2 Pd2 73.62(3) . 2_566
C1 S1 Pd1 95.62(17) . .
C28 S2 Pd2 95.88(18) . .
N2 P1 C10 105.5(2) . .
N2 P1 C4 107.4(2) . .
C10 P1 C4 101.3(2) . .
N2 P1 Pd1 117.08(16) . .
C10 P1 Pd1 113.43(17) . .
C4 P1 Pd1 110.77(17) . .
N2 P2 C22 108.6(2) . .
N2 P2 C16 105.2(2) . .
C22 P2 C16 101.2(2) . .
N2 P2 Pd1 115.90(16) . 2
C22 P2 Pd1 109.49(17) . 2
C16 P2 Pd1 115.27(16) . 2
N4 P3 C37 108.2(2) . .
N4 P3 C31 106.2(2) . .
C37 P3 C31 99.6(2) . .
N4 P3 Pd2 115.47(17) . .
C37 P3 Pd2 112.49(17) . .
C31 P3 Pd2 113.51(17) . .
N4 P4 C49 106.5(2) . .
N4 P4 C43 107.5(2) . .
C49 P4 C43 101.6(2) . .
N4 P4 Pd2 116.63(17) . 2_566
C49 P4 Pd2 111.00(17) . 2_566
C43 P4 Pd2 112.39(18) . 2_566
C1 N1 C3 122.5(4) . .
C1 N1 C2 123.6(5) . .
C3 N1 C2 113.9(4) . .
P2 N2 P1 123.6(3) . .
C28 N3 C30 121.6(4) . .
C28 N3 C29 122.7(4) . .
C30 N3 C29 115.6(4) . .
P3 N4 P4 122.9(3) . .
N1 C1 S1 121.3(4) . .
N1 C1 Pd1 128.7(4) . 2
S1 C1 Pd1 110.0(3) . 2
C9 C4 C5 119.4(5) . .
C9 C4 P1 120.1(4) . .
C5 C4 P1 120.5(4) . .
C6 C5 C4 120.6(5) . .
C7 C6 C5 120.0(5) . .
C6 C7 C8 119.9(5) . .
C7 C8 C9 120.2(5) . .
C4 C9 C8 119.9(5) . .
C11 C10 C15 118.8(5) . .
C11 C10 P1 123.5(4) . .
C15 C10 P1 117.7(4) . .
C12 C11 C10 120.9(5) . .
C11 C12 C13 120.2(5) . .
C12 C13 C14 119.7(5) . .
C15 C14 C13 120.4(5) . .
C14 C15 C10 120.0(5) . .
C21 C16 C17 118.4(5) . .
C21 C16 P2 123.9(4) . .
C17 C16 P2 117.6(4) . .
C18 C17 C16 120.8(6) . .
C17 C18 C19 119.5(6) . .
C20 C19 C18 120.8(6) . .
C19 C20 C21 119.6(6) . .
C16 C21 C20 120.9(5) . .
C23 C22 C27 119.1(5) . .
C23 C22 P2 120.5(4) . .
C27 C22 P2 120.3(4) . .
C22 C23 C24 120.0(5) . .
C25 C24 C23 120.3(6) . .
C26 C25 C24 120.0(6) . .
C25 C26 C27 119.9(6) . .
C26 C27 C22 120.7(6) . .
N3 C28 S2 119.2(4) . .
N3 C28 Pd2 130.8(4) . 2_566
S2 C28 Pd2 109.9(3) . 2_566
C32 C31 C36 118.9(5) . .
C32 C31 P3 121.8(4) . .
C36 C31 P3 119.3(4) . .
C33 C32 C31 120.6(6) . .
C32 C33 C34 119.7(6) . .
C35 C34 C33 120.2(5) . .
C34 C35 C36 119.6(6) . .
C35 C36 C31 121.0(5) . .
C42 C37 C38 117.7(5) . .
C42 C37 P3 120.0(4) . .
C38 C37 P3 122.0(4) . .
C39 C38 C37 120.6(5) . .
C40 C39 C38 120.6(5) . .
C41 C40 C39 119.6(5) . .
C40 C41 C42 120.4(5) . .
C41 C42 C37 121.2(5) . .
C48 C43 C44 119.0(5) . .
C48 C43 P4 121.3(4) . .
C44 C43 P4 119.6(4) . .
C45 C44 C43 120.5(6) . .
C46 C45 C44 120.0(6) . .
C45 C46 C47 120.2(5) . .
C46 C47 C48 119.6(6) . .
C47 C48 C43 120.6(6) . .
C50 C49 C54 118.2(5) . .
C50 C49 P4 121.9(4) . .
C54 C49 P4 119.6(4) . .
C49 C50 C51 120.6(5) . .
C52 C51 C50 120.1(6) . .
C51 C52 C53 120.2(6) . .
C54 C53 C52 120.2(5) . .
C53 C54 C49 120.6(5) . .
Cl2 C55 Cl1 114.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 1.998(5) 2
Pd1 P2 2.3409(13) 2
Pd1 P1 2.3446(13) .
Pd1 S1 2.4330(13) .
Pd1 Pd1 2.7113(8) 2
Pd2 C28 2.017(5) 2_566
Pd2 P3 2.3465(14) .
Pd2 P4 2.3476(14) 2_566
Pd2 S2 2.4041(13) .
Pd2 Pd2 2.7170(7) 2_566
S1 C1 1.733(5) .
S2 C28 1.738(5) .
P1 N2 1.629(4) .
P1 C10 1.823(5) .
P1 C4 1.824(5) .
P2 N2 1.597(4) .
P2 C22 1.829(5) .
P2 C16 1.835(5) .
P2 Pd1 2.3409(13) 2
P3 N4 1.616(4) .
P3 C37 1.834(5) .
P3 C31 1.842(5) .
P4 N4 1.618(4) .
P4 C49 1.825(5) .
P4 C43 1.832(5) .
P4 Pd2 2.3476(14) 2_566
N1 C1 1.317(6) .
N1 C3 1.455(7) .
N1 C2 1.477(6) .
N3 C28 1.314(6) .
N3 C30 1.463(6) .
N3 C29 1.466(6) .
C1 Pd1 1.998(5) 2
C4 C9 1.391(7) .
C4 C5 1.393(7) .
C5 C6 1.391(7) .
C6 C7 1.380(8) .
C7 C8 1.394(8) .
C8 C9 1.395(7) .
C10 C11 1.392(7) .
C10 C15 1.400(7) .
C11 C12 1.380(7) .
C12 C13 1.380(8) .
C13 C14 1.392(8) .
C14 C15 1.384(7) .
C16 C21 1.385(8) .
C16 C17 1.389(7) .
C17 C18 1.382(8) .
C18 C19 1.383(9) .
C19 C20 1.360(9) .
C20 C21 1.395(8) .
C22 C23 1.388(7) .
C22 C27 1.398(7) .
C23 C24 1.393(8) .
C24 C25 1.387(9) .
C25 C26 1.381(9) .
C26 C27 1.386(7) .
C28 Pd2 2.017(5) 2_566
C31 C32 1.384(7) .
C31 C36 1.386(8) .
C32 C33 1.384(7) .
C33 C34 1.388(9) .
C34 C35 1.378(8) .
C35 C36 1.383(8) .
C37 C42 1.396(7) .
C37 C38 1.404(7) .
C38 C39 1.384(7) .
C39 C40 1.383(8) .
C40 C41 1.377(8) .
C41 C42 1.384(8) .
C43 C48 1.387(7) .
C43 C44 1.391(8) .
C44 C45 1.382(8) .
C45 C46 1.380(9) .
C46 C47 1.386(9) .
C47 C48 1.387(7) .
C49 C50 1.397(7) .
C49 C54 1.407(7) .
C50 C51 1.404(8) .
C51 C52 1.357(8) .
C52 C53 1.401(8) .
C53 C54 1.374(8) .
C55 Cl2 1.705(9) .
C55 Cl1 1.734(9) .
