#------------------------------------------------------------------------------
#$Date: 2018-09-04 15:27:58 +0300 (Tue, 04 Sep 2018) $
#$Revision: 210404 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/40/7104072.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_7104072
loop_
_publ_author_name
'Foo, S. Jo Ling'
'Jones, Nathan D.'
'Patrick, Brian O.'
'James, Brian R.'
_publ_section_title
;
 Diastereoselective formation of a dipalladium(I) complex supported by a
 bridging tetradentate ligand, and oxidative addition of RS--H across a
 phosphine-bridged PdI--PdI bond
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   8
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              988
_journal_page_last               989
_journal_paper_doi               10.1039/b300177f
_journal_year                    2003
_chemical_formula_sum            'C36 H51 Cl3 N4 O P2 Pd2 S'
_chemical_formula_weight         968.96
_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                 91.755(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3678(3)
_cell_length_b                   17.2299(5)
_cell_length_c                   24.7803(9)
_cell_measurement_reflns_used    22821
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.30
_cell_volume                     3997.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.905
_diffrn_measured_fraction_theta_max 0.905
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36546
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8091
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         8920
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0145P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                6866
_reflns_number_total             8920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300177f.txt
_cod_data_source_block           shelxl/2c+Cl-
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7104072
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.90985(2) 0.207620(12) 0.110863(9) 0.01249(6) Uani 1 d . A 1
Pd2 Pd 0.88549(2) 0.097790(12) 0.251302(9) 0.01398(6) Uani 1 d . A 1
Cl1 Cl 1.13942(9) 0.20474(5) 0.07480(4) 0.0338(2) Uani 1 d . A 1
Cl2 Cl 0.88923(9) -0.04051(4) 0.24877(3) 0.02446(17) Uani 1 d . A 1
Cl3 Cl 1.14644(10) 0.54510(5) 0.08441(3) 0.02887(19) Uani 1 d . B 1
S1 S 0.93273(15) 0.09477(7) 0.16017(5) 0.0130(3) Uani 0.841(5) d PD A 1
P1 P 0.70082(8) 0.22067(4) 0.14727(3) 0.01191(15) Uani 1 d . A 1
P2 P 0.86934(8) 0.22511(4) 0.25510(3) 0.01373(16) Uani 1 d . A 1
O1 O 0.6653(3) 0.05087(14) 0.47889(11) 0.0337(6) Uani 1 d . C 1
N1 N 0.8378(3) 0.29865(13) 0.05659(10) 0.0156(5) Uani 1 d . A 1
N2 N 0.6225(3) 0.11718(14) 0.05809(11) 0.0216(6) Uani 1 d . A 1
N3 N 0.8286(3) 0.09990(13) 0.33485(10) 0.0209(6) Uani 1 d . A 1
N4 N 1.1509(3) 0.21297(15) 0.30759(11) 0.0234(6) Uani 1 d . A 1
C1 C 0.6107(3) 0.29187(15) 0.10563(11) 0.0137(6) Uani 1 d . A 1
C2 C 0.6884(3) 0.32317(15) 0.06386(12) 0.0153(6) Uani 1 d . A 1
C3 C 0.6228(3) 0.37755(17) 0.02924(13) 0.0225(7) Uani 1 d . A 1
H3 H 0.6744 0.3996 0.0006 0.027 Uiso 1 calc R A 1
C4 C 0.4840(3) 0.39897(16) 0.03675(14) 0.0235(7) Uani 1 d . A 1
H4 H 0.4399 0.4356 0.0129 0.028 Uiso 1 calc R A 1
C5 C 0.4065(3) 0.36826(17) 0.07853(14) 0.0241(7) Uani 1 d . A 1
H5 H 0.3104 0.3839 0.0833 0.029 Uiso 1 calc R A 1
C6 C 0.4702(3) 0.31470(16) 0.11330(13) 0.0199(7) Uani 1 d . A 1
H6 H 0.4183 0.2937 0.1422 0.024 Uiso 1 calc R A 1
C7 C 0.9332(3) 0.36808(17) 0.06187(13) 0.0238(7) Uani 1 d . A 1
H7A H 0.9102 0.4048 0.0327 0.036 Uiso 1 calc R A 1
H7B H 1.0330 0.3517 0.0597 0.036 Uiso 1 calc R A 1
H7C H 0.9188 0.3933 0.0968 0.036 Uiso 1 calc R A 1
C8 C 0.8517(4) 0.26638(19) 0.00070(12) 0.0257(7) Uani 1 d . A 1
H8A H 0.7851 0.2230 -0.0046 0.039 Uiso 1 calc R A 1
H8B H 0.9497 0.2480 -0.0038 0.039 Uiso 1 calc R A 1
H8C H 0.8296 0.3070 -0.0259 0.039 Uiso 1 calc R A 1
C9 C 0.5932(3) 0.13437(15) 0.15405(13) 0.0168(6) Uani 1 d . A 1
C10 C 0.5766(3) 0.08704(16) 0.10868(13) 0.0201(7) Uani 1 d . A 1
C11 C 0.5162(4) 0.01376(18) 0.11405(16) 0.0315(8) Uani 1 d . A 1
H11 H 0.5064 -0.0193 0.0835 0.038 Uiso 1 calc R A 1
C12 C 0.4703(4) -0.01123(19) 0.16369(17) 0.0369(9) Uani 1 d . A 1
H12 H 0.4297 -0.0615 0.1669 0.044 Uiso 1 calc R A 1
C13 C 0.4828(4) 0.03560(18) 0.20834(16) 0.0314(8) Uani 1 d . A 1
H13 H 0.4494 0.0185 0.2421 0.038 Uiso 1 calc R A 1
C14 C 0.5452(3) 0.10877(18) 0.20342(14) 0.0255(7) Uani 1 d . A 1
H14 H 0.5550 0.1414 0.2342 0.031 Uiso 1 calc R A 1
C15 C 0.5030(4) 0.14719(19) 0.02498(15) 0.0324(8) Uani 1 d . A 1
H15A H 0.4446 0.1038 0.0113 0.049 Uiso 1 calc R A 1
H15B H 0.5397 0.1766 -0.0055 0.049 Uiso 1 calc R A 1
H15C H 0.4444 0.1813 0.0469 0.049 Uiso 1 calc R A 1
C16 C 0.7081(4) 0.0616(2) 0.02767(16) 0.0363(9) Uani 1 d . A 1
H16A H 0.7834 0.0399 0.0515 0.054 Uiso 1 calc R A 1
H16B H 0.7515 0.0882 -0.0027 0.054 Uiso 1 calc R A 1
H16C H 0.6464 0.0196 0.0140 0.054 Uiso 1 calc R A 1
C17 C 0.7157(3) 0.26289(15) 0.21519(11) 0.0146(6) Uani 1 d . A 1
H17A H 0.6270 0.2518 0.2345 0.018 Uiso 1 calc R A 1
H17B H 0.7248 0.3199 0.2120 0.018 Uiso 1 calc R A 1
C18 C 0.8247(3) 0.24346(16) 0.32406(12) 0.0176(6) Uani 1 d . A 1
C19 C 0.8114(4) 0.17982(17) 0.35740(12) 0.0220(7) Uani 1 d . A 1
C20 C 0.7806(4) 0.18960(19) 0.41154(13) 0.0309(8) Uani 1 d . A 1
H20 H 0.7716 0.1459 0.4345 0.037 Uiso 1 calc R A 1
C21 C 0.7632(4) 0.2641(2) 0.43151(14) 0.0331(8) Uani 1 d . A 1
H21 H 0.7420 0.2713 0.4684 0.040 Uiso 1 calc R A 1
C22 C 0.7762(4) 0.32784(19) 0.39826(14) 0.0284(8) Uani 1 d . A 1
H22 H 0.7652 0.3787 0.4124 0.034 Uiso 1 calc R A 1
C23 C 0.8052(3) 0.31779(18) 0.34446(13) 0.0241(7) Uani 1 d . A 1
H23 H 0.8119 0.3616 0.3214 0.029 Uiso 1 calc R A 1
C24 C 0.6890(4) 0.05774(19) 0.33989(14) 0.0337(9) Uani 1 d . A 1
H24A H 0.6940 0.0076 0.3214 0.051 Uiso 1 calc R A 1
H24B H 0.6118 0.0889 0.3234 0.051 Uiso 1 calc R A 1
H24C H 0.6703 0.0493 0.3781 0.051 Uiso 1 calc R A 1
C25 C 0.9422(4) 0.0578(2) 0.36635(14) 0.0383(10) Uani 1 d . A 1
H25A H 0.9158 0.0545 0.4042 0.058 Uiso 1 calc R A 1
H25B H 1.0328 0.0858 0.3638 0.058 Uiso 1 calc R A 1
H25C H 0.9528 0.0054 0.3517 0.058 Uiso 1 calc R A 1
C26 C 1.0168(3) 0.28826(16) 0.24028(12) 0.0158(6) Uani 1 d . A 1
C27 C 1.1462(3) 0.27623(16) 0.26916(12) 0.0191(6) Uani 1 d . A 1
C28 C 1.2607(4) 0.32429(19) 0.26005(14) 0.0281(8) Uani 1 d . A 1
H28 H 1.3476 0.3171 0.2802 0.034 Uiso 1 calc R A 1
C29 C 1.2507(4) 0.38298(19) 0.22181(14) 0.0277(8) Uani 1 d . A 1
H29 H 1.3310 0.4151 0.2157 0.033 Uiso 1 calc R A 1
C30 C 1.1250(3) 0.39515(17) 0.19260(13) 0.0220(7) Uani 1 d . A 1
H30 H 1.1185 0.4352 0.1663 0.026 Uiso 1 calc R A 1
C31 C 1.0082(3) 0.34822(16) 0.20211(12) 0.0188(6) Uani 1 d . A 1
H31 H 0.9210 0.3568 0.1825 0.023 Uiso 1 calc R A 1
C32 C 1.2522(4) 0.1532(2) 0.29125(16) 0.0406(10) Uani 1 d . A 1
H32A H 1.2253 0.1345 0.2550 0.061 Uiso 1 calc R A 1
H32B H 1.2505 0.1099 0.3168 0.061 Uiso 1 calc R A 1
H32C H 1.3486 0.1753 0.2910 0.061 Uiso 1 calc R A 1
C33 C 1.1823(4) 0.2394(2) 0.36285(14) 0.0384(9) Uani 1 d . A 1
H33A H 1.2786 0.2616 0.3651 0.058 Uiso 1 calc R A 1
H33B H 1.1768 0.1953 0.3877 0.058 Uiso 1 calc R A 1
H33C H 1.1125 0.2789 0.3727 0.058 Uiso 1 calc R A 1
C34 C 1.1144(4) 0.0571(2) 0.15466(15) 0.0211(9) Uani 0.841(5) d PD A 1
H34A H 1.1836 0.1006 0.1546 0.025 Uiso 0.841(5) calc PR A 1
H34B H 1.1386 0.0231 0.1858 0.025 Uiso 0.841(5) calc PR A 1
C35 C 1.1216(4) 0.0110(2) 0.10182(18) 0.0316(11) Uani 0.841(5) d PD A 1
H35A H 1.0730 0.0412 0.0727 0.038 Uiso 0.841(5) calc PR A 1
H35B H 1.2230 0.0054 0.0924 0.038 Uiso 0.841(5) calc PR A 1
C36 C 1.0555(6) -0.0677(3) 0.1038(2) 0.0681(15) Uani 1 d D A 1
H36A H 1.1161 -0.1020 0.1261 0.102 Uiso 1 calc R A 1
H36B H 1.0463 -0.0888 0.0671 0.102 Uiso 1 calc R A 1
H36C H 0.9608 -0.0639 0.1193 0.102 Uiso 1 calc R A 1
H1A H 0.672(7) 0.022(4) 0.524(3) 0.16(3) Uiso 1 d . D 1
H1B H 0.578(6) 0.047(3) 0.463(2) 0.086(19) Uiso 1 d . E 1
S1B S 0.9974(11) 0.1171(4) 0.1730(3) 0.022(2) Uani 0.159(5) d PD A 2
C34B C 0.964(3) 0.0291(10) 0.1331(10) 0.049(7) Uiso 0.159(5) d PD A 2
H34C H 0.8860 -0.0026 0.1474 0.058 Uiso 0.159(5) calc PR A 2
H34D H 0.9449 0.0406 0.0945 0.058 Uiso 0.159(5) calc PR A 2
C35B C 1.111(3) -0.0089(15) 0.1430(13) 0.082(11) Uiso 0.159(5) d PD A 2
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 P1 85.16(7) . . ?
N1 Pd1 S1 164.86(8) . . ?
P1 Pd1 S1 86.45(3) . . ?
N1 Pd1 Cl1 92.91(7) . . ?
P1 Pd1 Cl1 174.86(3) . . ?
S1 Pd1 Cl1 96.45(4) . . ?
N3 Pd2 P2 85.57(7) . . ?
N3 Pd2 S1 176.67(8) . . ?
P2 Pd2 S1 94.57(4) . . ?
N3 Pd2 Cl2 92.66(7) . . ?
P2 Pd2 Cl2 176.73(3) . . ?
S1 Pd2 Cl2 87.05(4) . . ?
C34 S1 Pd1 109.34(13) . . ?
C34 S1 Pd2 106.66(13) . . ?
Pd1 S1 Pd2 118.76(5) . . ?
C1 P1 C9 111.20(13) . . ?
C1 P1 C17 106.10(13) . . ?
C9 P1 C17 105.53(14) . . ?
C1 P1 Pd1 104.08(10) . . ?
C9 P1 Pd1 117.50(10) . . ?
C17 P1 Pd1 111.99(10) . . ?
C18 P2 C26 106.80(14) . . ?
C18 P2 C17 104.33(14) . . ?
C26 P2 C17 105.57(13) . . ?
C18 P2 Pd2 103.53(10) . . ?
C26 P2 Pd2 122.54(10) . . ?
C17 P2 Pd2 112.53(9) . . ?
C2 N1 C7 109.0(2) . . ?
C2 N1 C8 109.1(2) . . ?
C7 N1 C8 107.9(2) . . ?
C2 N1 Pd1 114.24(17) . . ?
C7 N1 Pd1 110.57(17) . . ?
C8 N1 Pd1 105.71(17) . . ?
C10 N2 C15 111.9(3) . . ?
C10 N2 C16 113.2(3) . . ?
C15 N2 C16 111.3(3) . . ?
C25 N3 C19 109.6(3) . . ?
C25 N3 C24 109.3(3) . . ?
C19 N3 C24 108.1(2) . . ?
C25 N3 Pd2 107.5(2) . . ?
C19 N3 Pd2 114.01(18) . . ?
C24 N3 Pd2 108.24(19) . . ?
C27 N4 C33 112.5(3) . . ?
C27 N4 C32 110.7(3) . . ?
C33 N4 C32 111.3(3) . . ?
C2 C1 C6 120.7(3) . . ?
C2 C1 P1 116.4(2) . . ?
C6 C1 P1 122.9(2) . . ?
C1 C2 C3 119.0(3) . . ?
C1 C2 N1 119.9(2) . . ?
C3 C2 N1 121.1(3) . . ?
C4 C3 C2 119.9(3) . . ?
C3 C4 C5 121.3(3) . . ?
C6 C5 C4 119.5(3) . . ?
C5 C6 C1 119.6(3) . . ?
C14 C9 C10 119.6(3) . . ?
C14 C9 P1 122.7(2) . . ?
C10 C9 P1 117.1(2) . . ?
C11 C10 C9 119.3(3) . . ?
C11 C10 N2 123.1(3) . . ?
C9 C10 N2 117.6(2) . . ?
C12 C11 C10 120.4(3) . . ?
C13 C12 C11 120.9(3) . . ?
C12 C13 C14 119.1(3) . . ?
C9 C14 C13 120.8(3) . . ?
P1 C17 P2 112.89(14) . . ?
C19 C18 C23 119.9(3) . . ?
C19 C18 P2 117.2(2) . . ?
C23 C18 P2 122.9(2) . . ?
C18 C19 C20 120.4(3) . . ?
C18 C19 N3 119.6(3) . . ?
C20 C19 N3 120.0(3) . . ?
C21 C20 C19 119.1(3) . . ?
C22 C21 C20 120.6(3) . . ?
C23 C22 C21 120.0(3) . . ?
C22 C23 C18 119.9(3) . . ?
C31 C26 C27 119.0(3) . . ?
C31 C26 P2 123.6(2) . . ?
C27 C26 P2 117.5(2) . . ?
C28 C27 C26 119.4(3) . . ?
C28 C27 N4 123.5(3) . . ?
C26 C27 N4 117.1(3) . . ?
C27 C28 C29 120.8(3) . . ?
C30 C29 C28 120.6(3) . . ?
C29 C30 C31 119.2(3) . . ?
C30 C31 C26 121.0(3) . . ?
C35 C34 S1 108.2(3) . . ?
C36 C35 C34 114.5(4) . . ?
C35B C34B S1B 97.5(11) . . ?
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 2.161(2) . ?
Pd1 P1 2.1925(8) . ?
Pd1 S1 2.3030(10) . ?
Pd1 Cl1 2.3545(8) . ?
Pd2 N3 2.154(3) . ?
Pd2 P2 2.2011(7) . ?
Pd2 S1 2.3150(10) . ?
Pd2 Cl2 2.3840(7) . ?
S1 C34 1.830(4) . ?
P1 C1 1.797(3) . ?
P1 C9 1.807(3) . ?
P1 C17 1.835(3) . ?
P2 C18 1.800(3) . ?
P2 C26 1.805(3) . ?
P2 C17 1.840(3) . ?
N1 C2 1.478(4) . ?
N1 C7 1.497(4) . ?
N1 C8 1.502(4) . ?
N2 C10 1.435(4) . ?
N2 C15 1.463(4) . ?
N2 C16 1.472(4) . ?
N3 C25 1.489(4) . ?
N3 C19 1.497(4) . ?
N3 C24 1.504(4) . ?
N4 C27 1.447(4) . ?
N4 C33 1.464(4) . ?
N4 C32 1.466(4) . ?
C1 C2 1.392(4) . ?
C1 C6 1.393(4) . ?
C2 C3 1.400(4) . ?
C3 C4 1.370(4) . ?
C4 C5 1.388(5) . ?
C5 C6 1.385(4) . ?
C9 C14 1.388(4) . ?
C9 C10 1.394(4) . ?
C10 C11 1.392(4) . ?
C11 C12 1.384(5) . ?
C12 C13 1.372(5) . ?
C13 C14 1.397(4) . ?
C18 C19 1.381(4) . ?
C18 C23 1.391(4) . ?
C19 C20 1.391(4) . ?
C20 C21 1.387(5) . ?
C21 C22 1.381(5) . ?
C22 C23 1.380(4) . ?
C26 C31 1.401(4) . ?
C26 C27 1.403(4) . ?
C27 C28 1.379(4) . ?
C28 C29 1.387(5) . ?
C29 C30 1.379(5) . ?
C30 C31 1.386(4) . ?
C34 C35 1.535(5) . ?
C35 C36 1.492(6) . ?
S1B C34B 1.831(6) . ?
C34B C35B 1.535(7) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pd1 S1 C34 131.9(3) . . . . ?
P1 Pd1 S1 C34 -171.66(14) . . . . ?
Cl1 Pd1 S1 C34 4.08(14) . . . . ?
N1 Pd1 S1 Pd2 -105.4(3) . . . . ?
P1 Pd1 S1 Pd2 -49.03(7) . . . . ?
Cl1 Pd1 S1 Pd2 126.71(7) . . . . ?
N3 Pd2 S1 C34 -153.2(12) . . . . ?
P2 Pd2 S1 C34 114.68(14) . . . . ?
Cl2 Pd2 S1 C34 -68.17(14) . . . . ?
N3 Pd2 S1 Pd1 82.9(12) . . . . ?
P2 Pd2 S1 Pd1 -9.27(7) . . . . ?
Cl2 Pd2 S1 Pd1 167.87(7) . . . . ?
N1 Pd1 P1 C1 3.37(11) . . . . ?
S1 Pd1 P1 C1 -164.02(10) . . . . ?
Cl1 Pd1 P1 C1 71.5(4) . . . . ?
N1 Pd1 P1 C9 126.80(13) . . . . ?
S1 Pd1 P1 C9 -40.59(12) . . . . ?
Cl1 Pd1 P1 C9 -165.1(3) . . . . ?
N1 Pd1 P1 C17 -110.81(12) . . . . ?
S1 Pd1 P1 C17 81.80(10) . . . . ?
Cl1 Pd1 P1 C17 -42.7(4) . . . . ?
N3 Pd2 P2 C18 1.21(13) . . . . ?
S1 Pd2 P2 C18 177.87(11) . . . . ?
Cl2 Pd2 P2 C18 58.4(5) . . . . ?
N3 Pd2 P2 C26 121.61(14) . . . . ?
S1 Pd2 P2 C26 -61.72(12) . . . . ?
Cl2 Pd2 P2 C26 179(13) . . . . ?
N3 Pd2 P2 C17 -110.84(13) . . . . ?
S1 Pd2 P2 C17 65.82(11) . . . . ?
Cl2 Pd2 P2 C17 -53.6(5) . . . . ?
P1 Pd1 N1 C2 -4.57(17) . . . . ?
S1 Pd1 N1 C2 52.0(4) . . . . ?
Cl1 Pd1 N1 C2 -179.80(18) . . . . ?
P1 Pd1 N1 C7 118.85(19) . . . . ?
S1 Pd1 N1 C7 175.4(2) . . . . ?
Cl1 Pd1 N1 C7 -56.38(19) . . . . ?
P1 Pd1 N1 C8 -124.58(18) . . . . ?
S1 Pd1 N1 C8 -68.0(3) . . . . ?
Cl1 Pd1 N1 C8 60.19(18) . . . . ?
P2 Pd2 N3 C25 -124.3(2) . . . . ?
S1 Pd2 N3 C25 143.3(11) . . . . ?
Cl2 Pd2 N3 C25 58.5(2) . . . . ?
P2 Pd2 N3 C19 -2.5(2) . . . . ?
S1 Pd2 N3 C19 -94.9(12) . . . . ?
Cl2 Pd2 N3 C19 -179.8(2) . . . . ?
P2 Pd2 N3 C24 117.7(2) . . . . ?
S1 Pd2 N3 C24 25.3(13) . . . . ?
Cl2 Pd2 N3 C24 -59.5(2) . . . . ?
C9 P1 C1 C2 -129.6(2) . . . . ?
C17 P1 C1 C2 116.1(2) . . . . ?
Pd1 P1 C1 C2 -2.2(2) . . . . ?
C9 P1 C1 C6 49.4(3) . . . . ?
C17 P1 C1 C6 -64.9(3) . . . . ?
Pd1 P1 C1 C6 176.8(2) . . . . ?
C6 C1 C2 C3 -0.6(4) . . . . ?
P1 C1 C2 C3 178.5(2) . . . . ?
C6 C1 C2 N1 179.6(3) . . . . ?
P1 C1 C2 N1 -1.4(3) . . . . ?
C7 N1 C2 C1 -119.7(3) . . . . ?
C8 N1 C2 C1 122.6(3) . . . . ?
Pd1 N1 C2 C1 4.5(3) . . . . ?
C7 N1 C2 C3 60.4(3) . . . . ?
C8 N1 C2 C3 -57.3(3) . . . . ?
Pd1 N1 C2 C3 -175.3(2) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
N1 C2 C3 C4 179.7(3) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
C4 C5 C6 C1 -0.5(5) . . . . ?
C2 C1 C6 C5 0.9(4) . . . . ?
P1 C1 C6 C5 -178.1(2) . . . . ?
C1 P1 C9 C14 -118.0(3) . . . . ?
C17 P1 C9 C14 -3.4(3) . . . . ?
Pd1 P1 C9 C14 122.2(2) . . . . ?
C1 P1 C9 C10 71.2(3) . . . . ?
C17 P1 C9 C10 -174.2(2) . . . . ?
Pd1 P1 C9 C10 -48.5(3) . . . . ?
C14 C9 C10 C11 -2.0(4) . . . . ?
P1 C9 C10 C11 169.0(2) . . . . ?
C14 C9 C10 N2 177.5(3) . . . . ?
P1 C9 C10 N2 -11.4(4) . . . . ?
C15 N2 C10 C11 79.9(4) . . . . ?
C16 N2 C10 C11 -46.8(4) . . . . ?
C15 N2 C10 C9 -99.6(3) . . . . ?
C16 N2 C10 C9 133.7(3) . . . . ?
C9 C10 C11 C12 1.3(5) . . . . ?
N2 C10 C11 C12 -178.2(3) . . . . ?
C10 C11 C12 C13 0.3(5) . . . . ?
C11 C12 C13 C14 -1.3(5) . . . . ?
C10 C9 C14 C13 1.1(5) . . . . ?
P1 C9 C14 C13 -169.4(2) . . . . ?
C12 C13 C14 C9 0.5(5) . . . . ?
C1 P1 C17 P2 -152.93(15) . . . . ?
C9 P1 C17 P2 88.98(17) . . . . ?
Pd1 P1 C17 P2 -40.00(17) . . . . ?
C18 P2 C17 P1 -158.59(15) . . . . ?
C26 P2 C17 P1 89.04(17) . . . . ?
Pd2 P2 C17 P1 -47.03(17) . . . . ?
C26 P2 C18 C19 -130.4(3) . . . . ?
C17 P2 C18 C19 118.1(3) . . . . ?
Pd2 P2 C18 C19 0.2(3) . . . . ?
C26 P2 C18 C23 48.9(3) . . . . ?
C17 P2 C18 C23 -62.6(3) . . . . ?
Pd2 P2 C18 C23 179.5(3) . . . . ?
C23 C18 C19 C20 -0.9(5) . . . . ?
P2 C18 C19 C20 178.4(3) . . . . ?
C23 C18 C19 N3 178.4(3) . . . . ?
P2 C18 C19 N3 -2.4(4) . . . . ?
C25 N3 C19 C18 124.0(3) . . . . ?
C24 N3 C19 C18 -116.9(3) . . . . ?
Pd2 N3 C19 C18 3.4(4) . . . . ?
C25 N3 C19 C20 -56.7(4) . . . . ?
C24 N3 C19 C20 62.3(4) . . . . ?
Pd2 N3 C19 C20 -177.3(3) . . . . ?
C18 C19 C20 C21 0.1(5) . . . . ?
N3 C19 C20 C21 -179.1(3) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
C20 C21 C22 C23 0.8(6) . . . . ?
C21 C22 C23 C18 -1.5(5) . . . . ?
C19 C18 C23 C22 1.6(5) . . . . ?
P2 C18 C23 C22 -177.6(3) . . . . ?
C18 P2 C26 C31 -115.3(3) . . . . ?
C17 P2 C26 C31 -4.7(3) . . . . ?
Pd2 P2 C26 C31 125.8(2) . . . . ?
C18 P2 C26 C27 64.2(3) . . . . ?
C17 P2 C26 C27 174.9(2) . . . . ?
Pd2 P2 C26 C27 -54.6(3) . . . . ?
C31 C26 C27 C28 1.1(4) . . . . ?
P2 C26 C27 C28 -178.5(2) . . . . ?
C31 C26 C27 N4 -179.1(3) . . . . ?
P2 C26 C27 N4 1.3(4) . . . . ?
C33 N4 C27 C28 60.5(4) . . . . ?
C32 N4 C27 C28 -64.8(4) . . . . ?
C33 N4 C27 C26 -119.3(3) . . . . ?
C32 N4 C27 C26 115.5(3) . . . . ?
C26 C27 C28 C29 -1.6(5) . . . . ?
N4 C27 C28 C29 178.6(3) . . . . ?
C27 C28 C29 C30 0.9(5) . . . . ?
C28 C29 C30 C31 0.3(5) . . . . ?
C29 C30 C31 C26 -0.9(5) . . . . ?
C27 C26 C31 C30 0.2(4) . . . . ?
P2 C26 C31 C30 179.7(2) . . . . ?
Pd1 S1 C34 C35 -82.7(3) . . . . ?
Pd2 S1 C34 C35 147.7(2) . . . . ?
S1 C34 C35 C36 -76.8(4) . . . . ?
