#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:51:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179767 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/63/7006367.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_7006367
loop_
_publ_author_name
'Mendía, Aránzazu'
'Cerrada, Elena'
'Arnáiz, Francisco J'
'Laguna, Mariano'
_publ_section_title
;
 Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II)
 chemistry: the presence of three different co-ordination modes in
 [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              609
_journal_page_last               616
_journal_paper_doi               10.1039/b508438e
_journal_year                    2006
_chemical_formula_sum            'C41 H38 Cl3 N3 O P2 Pd2 S3'
_chemical_formula_weight         1066.01
_chemical_name_common
;
Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$-
bis(diphenylphosphino) -methane)-di-palladium(ii)-chloride
dichloromethane water solvate
;
_chemical_name_systematic
;
Tris-(mu!2$-pyridine-2-thiolato-N,S)-(mu!2$-bis(diphenylphosphino)
-methane)-di-palladium(ii)-chloride dichloromethane water solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 93.58(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.593(4)
_cell_length_b                   16.091(3)
_cell_length_c                   32.380(7)
_cell_measurement_temperature    293(2)
_cell_volume                     9149(3)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SHELXTL'
_computing_molecular_graphics    'XP, SHELXTL v. 4.2 (Siemens)'
_computing_publication_material  'WinGX, 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            15202
_diffrn_reflns_theta_full        20.00
_diffrn_reflns_theta_max         20.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    1.203
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.8008
_exptl_absorpt_correction_type   'multi-scan correction'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4272
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.364
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         4258
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1058P)²+50.9269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                3522
_reflns_number_total             4258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508438e.txt
_cod_data_source_block           compound5
_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      C2/c
_cod_database_code               7006367
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.20711(4) 0.06352(4) 0.61923(2) 0.0372(3) Uani 1 1 d . . .
Pd2 Pd 0.07118(4) 0.04997(4) 0.57432(2) 0.0378(3) Uani 1 1 d . . .
Cl1 Cl 0.3981(4) 0.0346(5) 0.6745(2) 0.201(3) Uani 1 1 d . . .
S1 S 0.02336(14) 0.00605(18) 0.63530(8) 0.0548(8) Uani 1 1 d . . .
S2 S 0.23479(13) 0.16203(15) 0.57111(7) 0.0429(6) Uani 1 1 d . . .
S3 S 0.10768(15) -0.08758(16) 0.56049(8) 0.0538(7) Uani 1 1 d . . .
P1 P 0.17040(14) 0.17241(16) 0.65766(8) 0.0417(7) Uani 1 1 d . A .
P2 P 0.03159(14) 0.18029(17) 0.59154(8) 0.0429(7) Uani 1 1 d . . .
N1 N 0.1724(5) -0.0252(5) 0.6609(2) 0.047(2) Uani 1 1 d . . .
N2 N 0.1224(4) 0.0894(5) 0.5212(2) 0.0391(19) Uani 1 1 d . . .
N3 N 0.2506(5) -0.0286(5) 0.5799(2) 0.043(2) Uani 1 1 d . . .
C1 C 0.0748(5) 0.2126(6) 0.6422(3) 0.048(3) Uani 1 1 d . . .
H1A H 0.0407 0.1960 0.6632 0.057 Uiso 1 1 calc R . .
H1B H 0.0773 0.2728 0.6425 0.057 Uiso 1 1 calc R . .
C2 C 0.0986(6) -0.0451(6) 0.6646(3) 0.054(3) Uani 1 1 d . . .
C3 C 0.0771(7) -0.1027(8) 0.6933(3) 0.067(3) Uani 1 1 d . . .
H3 H 0.0260 -0.1159 0.6955 0.081 Uiso 1 1 calc R . .
C4 C 0.1317(10) -0.1394(8) 0.7178(4) 0.087(4) Uani 1 1 d . . .
H4 H 0.1179 -0.1778 0.7374 0.104 Uiso 1 1 calc R . .
C5 C 0.2062(8) -0.1216(8) 0.7146(4) 0.076(4) Uani 1 1 d . . .
H5 H 0.2434 -0.1473 0.7319 0.091 Uiso 1 1 calc R . .
C6 C 0.2261(7) -0.0647(6) 0.6853(3) 0.059(3) Uani 1 1 d . . .
H6 H 0.2773 -0.0533 0.6823 0.070 Uiso 1 1 calc R . .
C7 C 0.1901(5) 0.1274(5) 0.5240(3) 0.035(2) Uani 1 1 d . . .
C8 C 0.2254(6) 0.1496(6) 0.4881(3) 0.055(3) Uani 1 1 d . . .
H8 H 0.2725 0.1759 0.4900 0.066 Uiso 1 1 calc R . .
C9 C 0.1896(7) 0.1321(7) 0.4495(3) 0.061(3) Uani 1 1 d . . .
H9 H 0.2123 0.1467 0.4254 0.073 Uiso 1 1 calc R . .
C10 C 0.1212(7) 0.0933(7) 0.4477(3) 0.062(3) Uani 1 1 d . . .
H10 H 0.0962 0.0809 0.4223 0.074 Uiso 1 1 calc R . .
C11 C 0.0895(6) 0.0726(6) 0.4840(3) 0.054(3) Uani 1 1 d . . .
H11 H 0.0427 0.0455 0.4825 0.064 Uiso 1 1 calc R . .
C12 C 0.2072(6) -0.0811(6) 0.5562(3) 0.047(3) Uani 1 1 d . . .
C13 C 0.2393(7) -0.1319(7) 0.5274(3) 0.064(3) Uani 1 1 d . . .
H13 H 0.2085 -0.1655 0.5100 0.077 Uiso 1 1 calc R . .
C14 C 0.3159(9) -0.1321(8) 0.5249(4) 0.083(4) Uani 1 1 d . . .
H14 H 0.3379 -0.1672 0.5062 0.100 Uiso 1 1 calc R . .
C15 C 0.3623(7) -0.0795(7) 0.5505(4) 0.070(3) Uani 1 1 d . . .
H15 H 0.4151 -0.0799 0.5498 0.084 Uiso 1 1 calc R . .
C16 C 0.3257(6) -0.0278(6) 0.5764(3) 0.051(3) Uani 1 1 d . . .
H16 H 0.3548 0.0100 0.5924 0.061 Uiso 1 1 calc R . .
C21 C 0.2364(6) 0.2594(6) 0.6582(3) 0.043(2) Uani 1 1 d . . .
C22 C 0.2130(7) 0.3387(7) 0.6662(4) 0.067(3) Uani 1 1 d . . .
H22 H 0.1618 0.3494 0.6695 0.081 Uiso 1 1 calc R . .
C23 C 0.2662(8) 0.4038(7) 0.6693(4) 0.077(4) Uani 1 1 d . . .
H23 H 0.2500 0.4576 0.6743 0.093 Uiso 1 1 calc R . .
C24 C 0.3414(8) 0.3887(9) 0.6651(4) 0.077(4) Uani 1 1 d . . .
H24 H 0.3763 0.4321 0.6674 0.093 Uiso 1 1 calc R . .
C25 C 0.3651(7) 0.3116(9) 0.6576(3) 0.072(4) Uani 1 1 d . . .
H25 H 0.4166 0.3016 0.6547 0.086 Uiso 1 1 calc R . .
C26 C 0.3126(6) 0.2448(7) 0.6541(3) 0.054(3) Uani 1 1 d . . .
H26 H 0.3296 0.1912 0.6489 0.065 Uiso 1 1 calc R . .
C31 C 0.1653(6) 0.1490(6) 0.7125(3) 0.051(3) Uani 1 1 d . . .
C32 C 0.0976(11) 0.1135(12) 0.7281(6) 0.087(6) Uiso 0.70 1 d P A 1
H32 H 0.0554 0.1030 0.7101 0.105 Uiso 0.70 1 calc PR A 1
C33 C 0.0948(12) 0.0946(13) 0.7705(6) 0.084(5) Uiso 0.70 1 d P A 1
H33 H 0.0521 0.0708 0.7812 0.101 Uiso 0.70 1 calc PR A 1
C33' C 0.115(2) 0.173(3) 0.7779(12) 0.066(10) Uiso 0.30 1 d P A 2
H33' H 0.0862 0.2052 0.7945 0.080 Uiso 0.30 1 calc PR A 2
C32' C 0.111(2) 0.186(2) 0.7353(11) 0.059(10) Uiso 0.30 1 d P A 2
H32' H 0.0723 0.2187 0.7227 0.071 Uiso 0.30 1 calc PR A 2
C34 C 0.1608(12) 0.1141(10) 0.7958(5) 0.108(6) Uani 1 1 d . . .
H34 H 0.1586 0.1137 0.8244 0.130 Uiso 1 1 calc R A 1
C35 C 0.2204(13) 0.1313(13) 0.7806(5) 0.149(9) Uani 1 1 d . A .
H35 H 0.2642 0.1364 0.7980 0.179 Uiso 1 1 calc R B 2
C36 C 0.2262(9) 0.1440(14) 0.7370(5) 0.141(8) Uani 1 1 d . A .
H36 H 0.2739 0.1488 0.7263 0.170 Uiso 1 1 calc R . .
C51 C 0.0435(6) 0.2606(7) 0.5531(3) 0.053(3) Uani 1 1 d . . .
C52 C 0.0828(7) 0.3347(8) 0.5610(4) 0.074(3) Uani 1 1 d . . .
H52 H 0.1072 0.3452 0.5868 0.089 Uiso 1 1 calc R . .
C53 C 0.0847(8) 0.3936(9) 0.5285(7) 0.102(5) Uani 1 1 d . . .
H53 H 0.1112 0.4430 0.5332 0.122 Uiso 1 1 calc R . .
C54 C 0.0495(10) 0.3803(12) 0.4913(5) 0.102(5) Uani 1 1 d . . .
H54 H 0.0500 0.4206 0.4707 0.122 Uiso 1 1 calc R . .
C55 C 0.0122(9) 0.3053(11) 0.4839(4) 0.093(4) Uani 1 1 d . . .
H55 H -0.0105 0.2945 0.4578 0.112 Uiso 1 1 calc R . .
C56 C 0.0082(7) 0.2469(7) 0.5145(4) 0.064(3) Uani 1 1 d . . .
H56 H -0.0185 0.1977 0.5092 0.077 Uiso 1 1 calc R . .
C41 C -0.0697(6) 0.1887(7) 0.5984(3) 0.053(3) Uani 1 1 d . . .
C42 C -0.1200(6) 0.1283(8) 0.5815(3) 0.066(3) Uani 1 1 d . . .
H42 H -0.1005 0.0828 0.5679 0.080 Uiso 1 1 calc R . .
C43 C -0.1962(7) 0.1347(12) 0.5843(4) 0.094(5) Uani 1 1 d . . .
H43 H -0.2281 0.0935 0.5730 0.113 Uiso 1 1 calc R . .
C44 C -0.2264(8) 0.2008(13) 0.6036(5) 0.094(5) Uani 1 1 d . . .
H44 H -0.2789 0.2048 0.6052 0.113 Uiso 1 1 calc R . .
C45 C -0.1808(8) 0.2608(11) 0.6205(5) 0.091(5) Uani 1 1 d . . .
H45 H -0.2020 0.3060 0.6336 0.109 Uiso 1 1 calc R . .
C46 C -0.1008(7) 0.2551(8) 0.6184(4) 0.076(4) Uani 1 1 d . . .
H46 H -0.0693 0.2961 0.6304 0.091 Uiso 1 1 calc R . .
Cl2 Cl 0.5671(4) 0.2135(6) 0.6317(3) 0.234(4) Uani 1 1 d D . .
Cl3 Cl 0.6061(7) 0.0543(5) 0.6086(4) 0.295(6) Uani 1 1 d D . .
O1W O 1.0006(14) 0.3981(14) 0.6798(8) 0.244(13) Uani 1 1 d D . .
H1W H 1.032(4) 0.405(5) 0.700(2) 0.02(2) Uiso 1 1 d D . .
H2W H 1.012(6) 0.411(6) 0.656(2) 0.03(3) Uiso 1 1 d D . .
C90 C 0.556(2) 0.1140(17) 0.6414(8) 0.27(2) Uani 1 1 d D . .
H90A H 0.5024 0.0998 0.6382 0.328 Uiso 1 1 calc R . .
H90B H 0.5736 0.1024 0.6698 0.328 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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 N3 92.3(3) . . ?
N1 Pd1 P1 94.0(2) . . ?
N3 Pd1 P1 173.2(2) . . ?
N1 Pd1 S2 175.1(3) . . ?
N3 Pd1 S2 88.6(2) . . ?
P1 Pd1 S2 85.33(9) . . ?
N1 Pd1 Pd2 90.5(2) . . ?
N3 Pd1 Pd2 87.8(2) . . ?
P1 Pd1 Pd2 94.82(7) . . ?
S2 Pd1 Pd2 84.81(7) . . ?
N2 Pd2 P2 94.4(2) . . ?
N2 Pd2 S1 175.9(2) . . ?
P2 Pd2 S1 86.52(10) . . ?
N2 Pd2 S3 89.5(2) . . ?
P2 Pd2 S3 176.10(9) . . ?
S1 Pd2 S3 89.61(10) . . ?
N2 Pd2 Pd1 90.3(2) . . ?
P2 Pd2 Pd1 93.83(7) . . ?
S1 Pd2 Pd1 85.56(7) . . ?
S3 Pd2 Pd1 86.34(7) . . ?
C2 S1 Pd2 107.4(4) . . ?
C7 S2 Pd1 105.5(3) . . ?
C12 S3 Pd2 104.0(3) . . ?
C21 P1 C31 102.7(4) . . ?
C21 P1 C1 107.7(5) . . ?
C31 P1 C1 103.7(5) . . ?
C21 P1 Pd1 113.4(3) . . ?
C31 P1 Pd1 114.1(4) . . ?
C1 P1 Pd1 114.1(3) . . ?
C41 P2 C51 100.8(5) . . ?
C41 P2 C1 102.9(5) . . ?
C51 P2 C1 110.6(5) . . ?
C41 P2 Pd2 114.5(4) . . ?
C51 P2 Pd2 115.8(3) . . ?
C1 P2 Pd2 111.2(3) . . ?
C2 N1 C6 118.5(9) . . ?
C2 N1 Pd1 122.8(7) . . ?
C6 N1 Pd1 118.7(7) . . ?
C11 N2 C7 119.3(8) . . ?
C11 N2 Pd2 119.9(6) . . ?
C7 N2 Pd2 120.8(6) . . ?
C16 N3 C12 119.2(8) . . ?
C16 N3 Pd1 116.0(7) . . ?
C12 N3 Pd1 124.5(6) . . ?
P2 C1 P1 117.5(5) . . ?
N1 C2 C3 121.6(10) . . ?
N1 C2 S1 122.0(8) . . ?
C3 C2 S1 116.2(9) . . ?
C4 C3 C2 118.4(11) . . ?
C3 C4 C5 121.6(12) . . ?
C4 C5 C6 118.7(12) . . ?
N1 C6 C5 121.2(11) . . ?
N2 C7 C8 120.0(8) . . ?
N2 C7 S2 123.4(6) . . ?
C8 C7 S2 116.3(7) . . ?
C9 C8 C7 119.7(9) . . ?
C10 C9 C8 118.9(9) . . ?
C9 C10 C11 119.0(9) . . ?
N2 C11 C10 123.2(9) . . ?
N3 C12 C13 120.9(9) . . ?
N3 C12 S3 121.5(7) . . ?
C13 C12 S3 117.7(9) . . ?
C14 C13 C12 119.4(11) . . ?
C13 C14 C15 120.3(11) . . ?
C16 C15 C14 116.6(11) . . ?
N3 C16 C15 123.4(10) . . ?
C22 C21 C26 119.0(10) . . ?
C22 C21 P1 121.3(8) . . ?
C26 C21 P1 119.5(8) . . ?
C21 C22 C23 120.1(11) . . ?
C24 C23 C22 120.5(12) . . ?
C25 C24 C23 120.1(11) . . ?
C24 C25 C26 120.6(11) . . ?
C21 C26 C25 119.7(11) . . ?
C36 C31 C32' 106.0(18) . . ?
C36 C31 C32 115.6(13) . . ?
C32' C31 C32 50.7(15) . . ?
C36 C31 P1 121.3(9) . . ?
C32' C31 P1 120.6(17) . . ?
C32 C31 P1 121.1(11) . . ?
C33 C32 C31 120.5(18) . . ?
C32 C33 C34 116.1(18) . . ?
C34 C33' C32' 122(3) . . ?
C34 C33' C35 37.8(13) . . ?
C32' C33' C35 95(3) . . ?
C31 C32' C33' 117(3) . . ?
C35 C34 C33' 100(2) . . ?
C35 C34 C33 120.9(16) . . ?
C33' C34 C33 57.3(19) . . ?
C34 C35 C36 123.1(17) . . ?
C34 C35 C33' 42.4(16) . . ?
C36 C35 C33' 91.9(15) . . ?
C31 C36 C35 120.2(15) . . ?
C56 C51 C52 119.6(11) . . ?
C56 C51 P2 116.3(9) . . ?
C52 C51 P2 124.1(9) . . ?
C51 C52 C53 118.0(13) . . ?
C54 C53 C52 122.1(14) . . ?
C53 C54 C55 118.8(14) . . ?
C56 C55 C54 121.1(14) . . ?
C55 C56 C51 120.3(13) . . ?
C46 C41 C42 117.5(10) . . ?
C46 C41 P2 122.4(9) . . ?
C42 C41 P2 120.1(8) . . ?
C43 C42 C41 121.6(13) . . ?
C42 C43 C44 120.6(15) . . ?
C45 C44 C43 120.4(13) . . ?
C44 C45 C46 120.1(14) . . ?
C41 C46 C45 119.8(13) . . ?
Cl2 C90 Cl3 110.7(14) . . ?
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 2.081(8) . ?
Pd1 N3 2.128(7) . ?
Pd1 P1 2.266(3) . ?
Pd1 S2 2.296(2) . ?
Pd1 Pd2 2.7288(12) . ?
Pd2 N2 2.089(7) . ?
Pd2 P2 2.289(3) . ?
Pd2 S1 2.305(3) . ?
Pd2 S3 2.355(3) . ?
S1 C2 1.780(12) . ?
S2 C7 1.762(9) . ?
S3 C12 1.768(11) . ?
P1 C21 1.819(10) . ?
P1 C31 1.824(10) . ?
P1 C1 1.842(10) . ?
P2 C41 1.814(11) . ?
P2 C51 1.815(11) . ?
P2 C1 1.840(10) . ?
N1 C2 1.351(13) . ?
N1 C6 1.352(13) . ?
N2 C11 1.332(12) . ?
N2 C7 1.338(11) . ?
N3 C16 1.334(12) . ?
N3 C12 1.345(12) . ?
C2 C3 1.382(15) . ?
C3 C4 1.344(17) . ?
C4 C5 1.352(17) . ?
C5 C6 1.379(15) . ?
C7 C8 1.398(13) . ?
C8 C9 1.393(14) . ?
C9 C10 1.352(14) . ?
C10 C11 1.372(14) . ?
C12 C13 1.386(14) . ?
C13 C14 1.356(17) . ?
C14 C15 1.409(17) . ?
C15 C16 1.371(15) . ?
C21 C22 1.369(14) . ?
C21 C26 1.376(14) . ?
C22 C23 1.405(16) . ?
C23 C24 1.360(17) . ?
C24 C25 1.336(17) . ?
C25 C26 1.418(15) . ?
C31 C36 1.296(17) . ?
C31 C32' 1.38(4) . ?
C31 C32 1.44(2) . ?
C32 C33 1.41(2) . ?
C33 C34 1.41(2) . ?
C33' C34 1.34(4) . ?
C33' C32' 1.39(5) . ?
C33' C35 1.96(5) . ?
C34 C35 1.22(2) . ?
C35 C36 1.44(2) . ?
C51 C56 1.378(15) . ?
C51 C52 1.394(15) . ?
C52 C53 1.418(19) . ?
C53 C54 1.34(2) . ?
C54 C55 1.39(2) . ?
C55 C56 1.370(17) . ?
C41 C46 1.380(15) . ?
C41 C42 1.402(15) . ?
C42 C43 1.354(17) . ?
C43 C44 1.36(2) . ?
C44 C45 1.35(2) . ?
C45 C46 1.418(17) . ?
Cl2 C90 1.65(2) . ?
Cl3 C90 1.72(2) . ?
