#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:28:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179972 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/66/7026643.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_7026643
loop_
_publ_author_name
'Das, Dipanwita'
'Singh, Pradhumn'
'Singh, Monika'
'Singh, Ajai Kumar'
_publ_section_title
;
 Tetradentate selenium ligand as a building block for homodinuclear
 complexes of Pd(II) and Ru(II) having seven membered rings or bis-pincer
 coordination mode: high catalytic activity of Pd-complexes for Heck
 reaction.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10876
_journal_page_last               10882
_journal_paper_doi               10.1039/c0dt00561d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C40 H40 Pd2 Se4, 2(Cl O4)'
_chemical_formula_sum            'C40 H40 Cl2 O8 Pd2 Se4'
_chemical_formula_weight         1248.26
_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                91.562(7)
_cell_angle_beta                 104.662(5)
_cell_angle_gamma                96.774(7)
_cell_formula_units_Z            2
_cell_length_a                   11.026(5)
_cell_length_b                   14.321(6)
_cell_length_c                   15.336(7)
_cell_measurement_reflns_used    7890
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.25
_cell_volume                     2322.3(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21172
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    4.070
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_meas      1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1212.0
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.065
_refine_diff_density_max         1.196
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.294
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         8180
_refine_ls_number_restraints     118
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0613
_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)+(0.0829P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1600
_reflns_number_gt                4747
_reflns_number_total             8180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00561d.txt
_cod_data_source_block           complex_1
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026643
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 0.39895(7) 0.90304(6) 0.71130(5) 0.0670(3) Uani 1 1 d .
Pd2 Pd 0.12675(7) 0.59212(6) 0.24771(5) 0.0684(3) Uani 1 1 d .
Se1 Se 0.33951(12) 1.05916(8) 0.73833(9) 0.0878(4) Uani 1 1 d .
Se2 Se 0.62567(9) 0.91425(7) 0.78342(7) 0.0662(3) Uani 1 1 d .
Se3 Se -0.00332(10) 0.69219(8) 0.30765(8) 0.0747(3) Uani 1 1 d .
Se4 Se 0.29059(9) 0.54366(8) 0.37336(6) 0.0642(3) Uani 1 1 d .
C1 C 0.3915(14) 0.7681(9) 0.6448(8) 0.101(4) Uani 1 1 d .
H1A H 0.4329 0.8097 0.6131 0.121 Uiso 1 1 calc R
H1B H 0.4295 0.7172 0.6703 0.121 Uiso 1 1 calc R
C2 C 0.2736(13) 0.7819(11) 0.6542(9) 0.101(4) Uani 1 1 d .
H2 H 0.2350 0.7419 0.6934 0.121 Uiso 1 1 calc R
C3 C 0.2166(12) 0.8550(9) 0.6181(8) 0.093(4) Uani 1 1 d .
H3A H 0.1423 0.8678 0.6370 0.112 Uiso 1 1 calc R
H3B H 0.2098 0.8629 0.5545 0.112 Uiso 1 1 calc R
C4 C 0.1929(10) 1.0265(9) 0.7968(9) 0.139(6) Uani 1 1 d GU
C5 C 0.1778(9) 0.9429(7) 0.8374(8) 0.114(5) Uani 1 1 d GU
H5 H 0.2299 0.8972 0.8338 0.137 Uiso 1 1 calc R
C6 C 0.0856(11) 0.9271(9) 0.8832(9) 0.152(6) Uani 1 1 d GU
H6 H 0.0754 0.8706 0.9106 0.182 Uiso 1 1 calc R
C7 C 0.0085(11) 0.9947(12) 0.8884(11) 0.211(10) Uani 1 1 d GU
H7 H -0.0538 0.9840 0.9193 0.253 Uiso 1 1 calc R
C8 C 0.0236(12) 1.0783(12) 0.8478(12) 0.219(9) Uani 1 1 d GU
H8 H -0.0285 1.1241 0.8513 0.263 Uiso 1 1 calc R
C9 C 0.1158(13) 1.0942(10) 0.8020(11) 0.202(8) Uani 1 1 d GU
H9 H 0.1259 1.1507 0.7746 0.243 Uiso 1 1 calc R
C10 C 0.4461(10) 1.1220(7) 0.8498(6) 0.067(3) Uani 1 1 d .
H10A H 0.5244 1.1507 0.8383 0.080 Uiso 1 1 calc R
H10B H 0.4040 1.1723 0.8676 0.080 Uiso 1 1 calc R
C11 C 0.4777(8) 1.0586(6) 0.9276(6) 0.054(2) Uani 1 1 d .
C12 C 0.5800(8) 1.0075(6) 0.9413(6) 0.051(2) Uani 1 1 d .
C13 C 0.5995(8) 0.9522(6) 1.0142(6) 0.057(2) Uani 1 1 d .
H13 H 0.6697 0.9198 1.0251 0.068 Uiso 1 1 calc R
C14 C 0.6719(8) 1.0129(6) 0.8830(7) 0.060(2) Uani 1 1 d .
H14A H 0.7556 1.0069 0.9204 0.072 Uiso 1 1 calc R
H14B H 0.6754 1.0743 0.8578 0.072 Uiso 1 1 calc R
C15 C 0.6413(9) 0.8083(7) 0.8575(6) 0.059(2) Uani 1 1 d .
C16 C 0.5437(9) 0.7641(7) 0.8893(7) 0.065(3) Uani 1 1 d .
H16 H 0.4644 0.7845 0.8728 0.078 Uiso 1 1 calc R
C17 C 0.5617(12) 0.6925(8) 0.9434(8) 0.085(3) Uani 1 1 d .
H17 H 0.4946 0.6624 0.9629 0.102 Uiso 1 1 calc R
C18 C 0.6767(13) 0.6638(9) 0.9697(9) 0.096(4) Uani 1 1 d .
H18 H 0.6894 0.6159 1.0095 0.116 Uiso 1 1 calc R
C19 C 0.7748(12) 0.7044(11) 0.9387(10) 0.108(4) Uani 1 1 d .
H19 H 0.8537 0.6837 0.9570 0.130 Uiso 1 1 calc R
C20 C 0.7577(10) 0.7759(9) 0.8804(8) 0.082(3) Uani 1 1 d .
H20 H 0.8232 0.8019 0.8569 0.098 Uiso 1 1 calc R
C21 C 0.0355(15) 0.6172(14) 0.1131(8) 0.117(5) Uani 1 1 d .
H21A H 0.0826 0.6740 0.1389 0.141 Uiso 1 1 calc R
H21B H -0.0508 0.6146 0.0869 0.141 Uiso 1 1 calc R
C22 C 0.094(2) 0.5368(17) 0.1138(9) 0.146(7) Uani 1 1 d .
H22 H 0.0413 0.4758 0.0957 0.175 Uiso 1 1 calc R
C23 C 0.2163(13) 0.5385(13) 0.1506(8) 0.123(6) Uani 1 1 d .
H23A H 0.2650 0.5945 0.1767 0.148 Uiso 1 1 calc R
H23B H 0.2537 0.4836 0.1504 0.148 Uiso 1 1 calc R
C24 C 0.2486(11) 0.4106(8) 0.3705(8) 0.076(3) Uani 1 1 d U
C25 C 0.1355(12) 0.3645(10) 0.3184(9) 0.091(3) Uani 1 1 d U
H25 H 0.0754 0.3976 0.2831 0.109 Uiso 1 1 calc R
C26 C 0.1143(18) 0.2680(12) 0.3202(12) 0.123(5) Uani 1 1 d U
H26 H 0.0396 0.2365 0.2832 0.147 Uiso 1 1 calc R
C27 C 0.192(2) 0.2191(12) 0.3699(13) 0.124(5) Uani 1 1 d U
H27 H 0.1719 0.1540 0.3667 0.148 Uiso 1 1 calc R
C28 C 0.302(2) 0.2592(15) 0.4271(14) 0.144(6) Uani 1 1 d U
H28 H 0.3539 0.2234 0.4660 0.172 Uiso 1 1 calc R
C29 C 0.3355(13) 0.3618(10) 0.4254(10) 0.100(4) Uani 1 1 d U
H29 H 0.4124 0.3923 0.4600 0.120 Uiso 1 1 calc R
C30 C 0.2528(9) 0.5742(8) 0.4895(6) 0.067(3) Uani 1 1 d .
H30A H 0.3117 0.5475 0.5375 0.080 Uiso 1 1 calc R
H30B H 0.2665 0.6420 0.5010 0.080 Uiso 1 1 calc R
C31 C 0.1204(9) 0.5384(6) 0.4926(6) 0.054(2) Uani 1 1 d .
C32 C 0.0198(10) 0.5904(7) 0.4722(6) 0.061(2) Uani 1 1 d .
C33 C -0.0957(8) 0.5516(6) 0.4796(5) 0.050(2) Uani 1 1 d .
H33 H -0.1622 0.5877 0.4650 0.060 Uiso 1 1 calc R
C34 C 0.0358(11) 0.6890(7) 0.4409(7) 0.073(3) Uani 1 1 d .
H34A H 0.1222 0.7176 0.4667 0.087 Uiso 1 1 calc R
H34B H -0.0194 0.7263 0.4631 0.087 Uiso 1 1 calc R
C35 C -0.1733(10) 0.6221(9) 0.2780(8) 0.080(3) Uani 1 1 d .
C36 C -0.1976(12) 0.5304(10) 0.2471(8) 0.095(4) Uani 1 1 d .
H36 H -0.1325 0.4985 0.2383 0.114 Uiso 1 1 calc R
C37 C -0.3184(13) 0.4850(12) 0.2290(10) 0.116(5) Uani 1 1 d .
H37 H -0.3359 0.4226 0.2064 0.139 Uiso 1 1 calc R
C38 C -0.4104(17) 0.5298(19) 0.2437(13) 0.150(7) Uani 1 1 d .
H38 H -0.4918 0.4979 0.2317 0.180 Uiso 1 1 calc R
C39 C -0.3889(14) 0.6220(16) 0.2761(14) 0.139(7) Uani 1 1 d .
H39 H -0.4554 0.6509 0.2870 0.167 Uiso 1 1 calc R
C40 C -0.2686(11) 0.6733(10) 0.2932(10) 0.108(4) Uani 1 1 d .
H40 H -0.2525 0.7366 0.3131 0.130 Uiso 1 1 calc R
Cl1 Cl 0.8081(3) 0.3126(4) 0.0754(3) 0.1250(14) Uani 1 1 d D
Cl2 Cl 0.6411(4) 0.1739(3) 0.6483(3) 0.1116(11) Uani 1 1 d U
O1 O 0.7838(11) 0.2858(9) 0.1562(7) 0.179(6) Uani 1 1 d D
O2 O 0.7764(14) 0.4003(8) 0.0551(9) 0.198(7) Uani 1 1 d D
O3 O 0.9353(8) 0.3132(10) 0.0829(9) 0.198(7) Uani 1 1 d D
O4 O 0.7374(11) 0.2527(9) 0.0050(8) 0.198(6) Uani 1 1 d D
O5 O 0.683(2) 0.2140(13) 0.7361(10) 0.261(10) Uani 1 1 d .
O6 O 0.5849(16) 0.0874(10) 0.6480(11) 0.213(7) Uani 1 1 d .
O7 O 0.7168(19) 0.1978(17) 0.5996(11) 0.281(12) Uani 1 1 d .
O8 O 0.562(3) 0.223(2) 0.593(2) 0.42(2) Uani 1 1 d U
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'
Se Se -0.0929 2.2259 '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'
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
C2 Pd1 C1 37.9(5) . .
C2 Pd1 C3 36.6(5) . .
C1 Pd1 C3 66.7(5) . .
C2 Pd1 Se2 128.0(5) . .
C1 Pd1 Se2 93.7(4) . .
C3 Pd1 Se2 159.4(4) . .
C2 Pd1 Se1 125.9(4) . .
C1 Pd1 Se1 158.4(4) . .
C3 Pd1 Se1 92.9(4) . .
Se2 Pd1 Se1 105.59(5) . .
C22 Pd2 C21 38.2(6) . .
C22 Pd2 C23 36.1(6) . .
C21 Pd2 C23 67.0(6) . .
C22 Pd2 Se3 127.3(7) . .
C21 Pd2 Se3 91.7(5) . .
C23 Pd2 Se3 157.1(5) . .
C22 Pd2 Se4 122.7(7) . .
C21 Pd2 Se4 157.9(5) . .
C23 Pd2 Se4 91.1(4) . .
Se3 Pd2 Se4 109.46(5) . .
C10 Se1 C4 91.7(5) . .
C10 Se1 Pd1 111.6(3) . .
C4 Se1 Pd1 102.0(3) . .
C15 Se2 C14 96.9(4) . .
C15 Se2 Pd1 104.3(3) . .
C14 Se2 Pd1 109.4(3) . .
C35 Se3 C34 98.5(5) . .
C35 Se3 Pd2 105.6(4) . .
C34 Se3 Pd2 110.2(3) . .
C24 Se4 C30 97.5(4) . .
C24 Se4 Pd2 103.8(4) . .
C30 Se4 Pd2 109.8(3) . .
C2 C1 Pd1 69.5(8) . .
C2 C1 H1A 120.0 . .
Pd1 C1 H1A 75.9 . .
C2 C1 H1B 120.0 . .
Pd1 C1 H1B 126.4 . .
H1A C1 H1B 120.0 . .
C3 C2 C1 121.1(15) . .
C3 C2 Pd1 74.5(8) . .
C1 C2 Pd1 72.6(8) . .
C3 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
Pd1 C2 H2 119.3 . .
C2 C3 Pd1 68.9(7) . .
C2 C3 H3A 116.8 . .
Pd1 C3 H3A 116.8 . .
C2 C3 H3B 116.8 . .
Pd1 C3 H3B 116.8 . .
H3A C3 H3B 113.8 . .
C9 C4 C5 120.0 . .
C9 C4 Se1 118.2(7) . .
C5 C4 Se1 121.6(7) . .
C6 C5 C4 120.0 . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C8 120.0 . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C4 C9 C8 120.0 . .
C4 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C11 C10 Se1 114.7(6) . .
C11 C10 H10A 108.6 . .
Se1 C10 H10A 108.6 . .
C11 C10 H10B 108.6 . .
Se1 C10 H10B 108.6 . .
H10A C10 H10B 107.6 . .
C13 C11 C12 118.1(8) 2_677 .
C13 C11 C10 119.5(8) 2_677 .
C12 C11 C10 122.4(8) . .
C13 C12 C11 117.3(8) . .
C13 C12 C14 119.1(8) . .
C11 C12 C14 123.5(8) . .
C12 C13 C11 124.6(8) . 2_677
C12 C13 H13 117.7 . .
C11 C13 H13 117.7 2_677 .
C12 C14 Se2 112.8(6) . .
C12 C14 H14A 109.0 . .
Se2 C14 H14A 109.0 . .
C12 C14 H14B 109.0 . .
Se2 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C20 C15 C16 119.1(10) . .
C20 C15 Se2 117.1(8) . .
C16 C15 Se2 123.8(7) . .
C17 C16 C15 121.0(10) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C16 C17 C18 120.2(12) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C19 120.7(12) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 120.3(12) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C15 118.7(11) . .
C19 C20 H20 120.7 . .
C15 C20 H20 120.7 . .
C22 C21 Pd2 70.6(8) . .
C22 C21 H21A 120.0 . .
Pd2 C21 H21A 73.5 . .
C22 C21 H21B 120.0 . .
Pd2 C21 H21B 128.0 . .
H21A C21 H21B 120.0 . .
C23 C22 C21 121(2) . .
C23 C22 Pd2 73.9(9) . .
C21 C22 Pd2 71.2(9) . .
C23 C22 H22 119.0 . .
C21 C22 H22 119.0 . .
Pd2 C22 H22 119.0 . .
C22 C23 Pd2 70.0(8) . .
C22 C23 H23A 120.0 . .
Pd2 C23 H23A 73.0 . .
C22 C23 H23B 120.0 . .
Pd2 C23 H23B 129.3 . .
H23A C23 H23B 120.0 . .
C29 C24 C25 120.8(12) . .
C29 C24 Se4 116.8(10) . .
C25 C24 Se4 122.4(10) . .
C26 C25 C24 118.1(14) . .
C26 C25 H25 121.0 . .
C24 C25 H25 121.0 . .
C27 C26 C25 123.6(19) . .
C27 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
C26 C27 C28 122.2(18) . .
C26 C27 H27 118.9 . .
C28 C27 H27 118.9 . .
C27 C28 C29 117.7(17) . .
C27 C28 H28 121.2 . .
C29 C28 H28 121.2 . .
C24 C29 C28 117.4(14) . .
C24 C29 H29 121.3 . .
C28 C29 H29 121.3 . .
C31 C30 Se4 114.0(6) . .
C31 C30 H30A 108.8 . .
Se4 C30 H30A 108.8 . .
C31 C30 H30B 108.8 . .
Se4 C30 H30B 108.8 . .
H30A C30 H30B 107.7 . .
C32 C31 C33 116.5(8) . 2_566
C32 C31 C30 124.5(9) . .
C33 C31 C30 118.9(9) 2_566 .
C33 C32 C31 119.5(9) . .
C33 C32 C34 119.5(9) . .
C31 C32 C34 121.0(9) . .
C32 C33 C31 124.0(8) . 2_566
C32 C33 H33 118.0 . .
C31 C33 H33 118.0 2_566 .
C32 C34 Se3 112.8(7) . .
C32 C34 H34A 109.0 . .
Se3 C34 H34A 109.0 . .
C32 C34 H34B 109.0 . .
Se3 C34 H34B 109.0 . .
H34A C34 H34B 107.8 . .
C36 C35 C40 122.3(11) . .
C36 C35 Se3 122.6(9) . .
C40 C35 Se3 115.0(10) . .
C35 C36 C37 119.7(13) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
C38 C37 C36 120.0(17) . .
C38 C37 H37 120.0 . .
C36 C37 H37 120.0 . .
C37 C38 C39 121.8(17) . .
C37 C38 H38 119.1 . .
C39 C38 H38 119.1 . .
C38 C39 C40 121.0(15) . .
C38 C39 H39 119.5 . .
C40 C39 H39 119.5 . .
C39 C40 C35 115.1(14) . .
C39 C40 H40 122.5 . .
C35 C40 H40 122.5 . .
O2 Cl1 O4 106.0(8) . .
O2 Cl1 O3 108.8(8) . .
O4 Cl1 O3 111.0(8) . .
O2 Cl1 O1 111.8(8) . .
O4 Cl1 O1 110.8(8) . .
O3 Cl1 O1 108.4(7) . .
O7 Cl2 O6 123.6(13) . .
O7 Cl2 O8 84.8(18) . .
O6 Cl2 O8 108.9(19) . .
O7 Cl2 O5 113.0(11) . .
O6 Cl2 O5 110.4(10) . .
O8 Cl2 O5 113.4(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C2 2.103(13) .
Pd1 C1 2.143(12) .
Pd1 C3 2.173(11) .
Pd1 Se2 2.4482(16) .
Pd1 Se1 2.4561(17) .
Pd2 C22 2.108(14) .
Pd2 C21 2.115(12) .
Pd2 C23 2.155(12) .
Pd2 Se3 2.4567(15) .
Pd2 Se4 2.4627(14) .
Se1 C10 1.940(10) .
Se1 C4 2.053(11) .
Se2 C15 1.918(10) .
Se2 C14 1.977(9) .
Se3 C35 1.957(12) .
Se3 C34 1.982(11) .
Se4 C24 1.903(12) .
Se4 C30 1.978(9) .
C1 C2 1.379(18) .
C1 H1A 0.9300 .
C1 H1B 0.9300 .
C2 C3 1.344(17) .
C2 H2 0.9800 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C9 1.37607 .
C4 C5 1.37654 .
C5 C6 1.37619 .
C5 H5 0.9300 .
C6 C7 1.37496 .
C6 H6 0.9300 .
C7 C8 1.37654 .
C7 H7 0.9300 .
C8 C9 1.37632 .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.514(12) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C13 1.380(12) 2_677
C11 C12 1.391(12) .
C12 C13 1.375(12) .
C12 C14 1.508(12) .
C13 C11 1.380(12) 2_677
C13 H13 0.9300 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C20 1.381(13) .
C15 C16 1.385(13) .
C16 C17 1.338(14) .
C16 H16 0.9300 .
C17 C18 1.346(15) .
C17 H17 0.9300 .
C18 C19 1.365(18) .
C18 H18 0.9300 .
C19 C20 1.375(17) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.38(2) .
C21 H21A 0.9300 .
C21 H21B 0.9300 .
C22 C23 1.32(2) .
C22 H22 0.9800 .
C23 H23A 0.9300 .
C23 H23B 0.9300 .
C24 C29 1.377(16) .
C24 C25 1.379(15) .
C25 C26 1.376(19) .
C25 H25 0.9300 .
C26 C27 1.28(2) .
C26 H26 0.9300 .
C27 C28 1.36(2) .
C27 H27 0.9300 .
C28 C29 1.47(2) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.502(12) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.384(12) .
C31 C33 1.388(12) 2_566
C32 C33 1.361(12) .
C32 C34 1.509(14) .
C33 C31 1.388(12) 2_566
C33 H33 0.9300 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.356(16) .
C35 C40 1.412(16) .
C36 C37 1.368(17) .
C36 H36 0.9300 .
C37 C38 1.32(2) .
C37 H37 0.9300 .
C38 C39 1.37(2) .
C38 H38 0.9300 .
C39 C40 1.40(2) .
C39 H39 0.9300 .
C40 H40 0.9300 .
Cl1 O2 1.368(9) .
Cl1 O4 1.369(10) .
Cl1 O3 1.377(9) .
Cl1 O1 1.388(9) .
Cl2 O7 1.279(13) .
Cl2 O6 1.317(12) .
Cl2 O8 1.34(2) .
Cl2 O5 1.391(16) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 Pd1 Se1 C10 143.0(6) . .
C1 Pd1 Se1 C10 178.3(11) . .
C3 Pd1 Se1 C10 159.9(5) . .
Se2 Pd1 Se1 C10 -29.2(3) . .
C2 Pd1 Se1 C4 46.2(6) . .
C1 Pd1 Se1 C4 81.5(11) . .
C3 Pd1 Se1 C4 63.2(5) . .
Se2 Pd1 Se1 C4 -126.0(4) . .
C2 Pd1 Se2 C15 -43.0(6) . .
C1 Pd1 Se2 C15 -60.8(5) . .
C3 Pd1 Se2 C15 -77.9(11) . .
Se1 Pd1 Se2 C15 129.0(3) . .
C2 Pd1 Se2 C14 -145.7(6) . .
C1 Pd1 Se2 C14 -163.6(5) . .
C3 Pd1 Se2 C14 179.4(11) . .
Se1 Pd1 Se2 C14 26.2(3) . .
C22 Pd2 Se3 C35 55.7(8) . .
C21 Pd2 Se3 C35 70.8(6) . .
C23 Pd2 Se3 C35 92.0(11) . .
Se4 Pd2 Se3 C35 -115.8(3) . .
C22 Pd2 Se3 C34 161.2(8) . .
C21 Pd2 Se3 C34 176.3(6) . .
C23 Pd2 Se3 C34 -162.6(11) . .
Se4 Pd2 Se3 C34 -10.4(3) . .
C22 Pd2 Se4 C24 -56.6(8) . .
C21 Pd2 Se4 C24 -82.5(14) . .
C23 Pd2 Se4 C24 -75.1(5) . .
Se3 Pd2 Se4 C24 115.4(3) . .
C22 Pd2 Se4 C30 -159.9(8) . .
C21 Pd2 Se4 C30 174.1(14) . .
C23 Pd2 Se4 C30 -178.4(6) . .
Se3 Pd2 Se4 C30 12.1(3) . .
C3 Pd1 C1 C2 -29.6(8) . .
Se2 Pd1 C1 C2 156.9(8) . .
Se1 Pd1 C1 C2 -49.6(16) . .
Pd1 C1 C2 C3 59.0(11) . .
C1 Pd1 C2 C3 -130.5(13) . .
Se2 Pd1 C2 C3 -160.3(7) . .
Se1 Pd1 C2 C3 29.3(10) . .
C3 Pd1 C2 C1 130.5(13) . .
Se2 Pd1 C2 C1 -29.8(10) . .
Se1 Pd1 C2 C1 159.7(7) . .
C1 C2 C3 Pd1 -58.0(10) . .
C1 Pd1 C3 C2 30.6(9) . .
Se2 Pd1 C3 C2 49.2(15) . .
Se1 Pd1 C3 C2 -156.7(8) . .
C10 Se1 C4 C9 82.7(6) . .
Pd1 Se1 C4 C9 -164.8(6) . .
C10 Se1 C4 C5 -91.4(8) . .
Pd1 Se1 C4 C5 21.1(8) . .
C9 C4 C5 C6 0.0 . .
Se1 C4 C5 C6 174.0(9) . .
C4 C5 C6 C7 0.0 . .
C5 C6 C7 C8 0.0 . .
C6 C7 C8 C9 0.0 . .
C5 C4 C9 C8 0.0 . .
Se1 C4 C9 C8 -174.2(9) . .
C7 C8 C9 C4 0.0 . .
C4 Se1 C10 C11 63.4(7) . .
Pd1 Se1 C10 C11 -40.2(7) . .
Se1 C10 C11 C13 -90.9(9) . 2_677
Se1 C10 C11 C12 86.7(9) . .
C13 C11 C12 C13 -2.3(13) 2_677 .
C10 C11 C12 C13 -179.9(8) . .
C13 C11 C12 C14 -179.8(8) 2_677 .
C10 C11 C12 C14 2.6(13) . .
C11 C12 C13 C11 2.5(14) . 2_677
C14 C12 C13 C11 -179.9(8) . 2_677
C13 C12 C14 Se2 88.9(9) . .
C11 C12 C14 Se2 -93.6(9) . .
C15 Se2 C14 C12 -63.0(7) . .
Pd1 Se2 C14 C12 44.9(7) . .
C14 Se2 C15 C20 -90.9(8) . .
Pd1 Se2 C15 C20 157.0(7) . .
C14 Se2 C15 C16 88.4(8) . .
Pd1 Se2 C15 C16 -23.7(8) . .
C20 C15 C16 C17 1.7(15) . .
Se2 C15 C16 C17 -177.6(8) . .
C15 C16 C17 C18 1.8(17) . .
C16 C17 C18 C19 -3(2) . .
C17 C18 C19 C20 1(2) . .
C18 C19 C20 C15 3(2) . .
C16 C15 C20 C19 -3.9(16) . .
Se2 C15 C20 C19 175.4(10) . .
C23 Pd2 C21 C22 28.4(12) . .
Se3 Pd2 C21 C22 -160.4(12) . .
Se4 Pd2 C21 C22 37(2) . .
Pd2 C21 C22 C23 -56.6(12) . .
C21 Pd2 C22 C23 132.0(19) . .
Se3 Pd2 C22 C23 157.0(10) . .
Se4 Pd2 C22 C23 -32.5(14) . .
C23 Pd2 C22 C21 -132.0(19) . .
Se3 Pd2 C22 C21 24.9(14) . .
Se4 Pd2 C22 C21 -164.6(9) . .
C21 C22 C23 Pd2 55.4(12) . .
C21 Pd2 C23 C22 -29.9(12) . .
Se3 Pd2 C23 C22 -53.0(18) . .
Se4 Pd2 C23 C22 153.1(12) . .
C30 Se4 C24 C29 -76.8(9) . .
Pd2 Se4 C24 C29 170.7(8) . .
C30 Se4 C24 C25 101.4(9) . .
Pd2 Se4 C24 C25 -11.1(9) . .
C29 C24 C25 C26 -2.5(17) . .
Se4 C24 C25 C26 179.4(9) . .
C24 C25 C26 C27 3(2) . .
C25 C26 C27 C28 1(3) . .
C26 C27 C28 C29 -5(3) . .
C25 C24 C29 C28 -1.0(17) . .
Se4 C24 C29 C28 177.2(10) . .
C27 C28 C29 C24 5(2) . .
C24 Se4 C30 C31 -56.4(8) . .
Pd2 Se4 C30 C31 51.2(8) . .
Se4 C30 C31 C32 -93.6(10) . .
Se4 C30 C31 C33 88.6(9) . 2_566
C33 C31 C32 C33 -0.5(13) 2_566 .
C30 C31 C32 C33 -178.3(8) . .
C33 C31 C32 C34 -179.7(8) 2_566 .
C30 C31 C32 C34 2.5(13) . .
C31 C32 C33 C31 0.5(14) . 2_566
C34 C32 C33 C31 179.8(8) . 2_566
C33 C32 C34 Se3 -87.1(9) . .
C31 C32 C34 Se3 92.1(10) . .
C35 Se3 C34 C32 54.3(8) . .
Pd2 Se3 C34 C32 -55.8(8) . .
C34 Se3 C35 C36 -102.4(10) . .
Pd2 Se3 C35 C36 11.4(10) . .
C34 Se3 C35 C40 76.1(9) . .
Pd2 Se3 C35 C40 -170.1(8) . .
C40 C35 C36 C37 0.5(19) . .
Se3 C35 C36 C37 178.9(10) . .
C35 C36 C37 C38 -2(2) . .
C36 C37 C38 C39 1(3) . .
C37 C38 C39 C40 1(3) . .
C38 C39 C40 C35 -2(2) . .
C36 C35 C40 C39 1.5(19) . .
Se3 C35 C40 C39 -177.1(11) . .
