#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179781 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/77/7007716.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_7007716
loop_
_publ_author_name
'Dervisi, Athanasia'
'Koursarou, Despina'
'Ooi, Li-Ling'
'Horton, Peter N.'
'Hursthouse, Michael B.'
_publ_section_title
;
 Synthesis and characterisation of benzyl phosphino-thioether and
 -thiolato Pd(II) complexes and their applications in Suzuki coupling
 reactions.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5717
_journal_page_last               5724
_journal_paper_doi               10.1039/B609607G
_journal_year                    2006
_chemical_formula_moiety         'C25 H29 Cl2 P Pd S'
_chemical_formula_sum            'C25 H29 Cl2 P Pd S'
_chemical_formula_weight         569.81
_chemical_name_common            (Pd(4)Cl2)
_chemical_name_systematic
;
?
;
_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                90.000
_cell_angle_beta                 109.835(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.029(2)
_cell_length_b                   12.600(2)
_cell_length_c                   14.870(3)
_cell_measurement_reflns_used    26893
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.91
_cell_volume                     2472.6(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Dirdif-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0784
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40943
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.40
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.7660
_exptl_absorpt_correction_T_min  0.6939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         5613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0355
_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)+(0.0320P)²+4.2020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                4634
_reflns_number_total             5613
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B609607G.txt
_cod_data_source_block           '[Pd(4)Cl2]'
_cod_original_cell_volume        2472.56(72)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7007716
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
C1 C 0.3009(2) 0.4048(2) 0.4087(2) 0.0226(6) Uani 1 1 d . . .
H1A H 0.2305 0.3971 0.3642 0.027 Uiso 1 1 calc R . .
H1B H 0.3278 0.4730 0.3947 0.027 Uiso 1 1 calc R . .
C2 C 0.3649(2) 0.3143(2) 0.3928(2) 0.0229(6) Uani 1 1 d . . .
H2 H 0.3314 0.2453 0.3972 0.027 Uiso 1 1 calc R . .
C3 C 0.3763(3) 0.3227(3) 0.2942(2) 0.0296(7) Uani 1 1 d . . .
H3A H 0.3078 0.3259 0.2453 0.036 Uiso 1 1 calc R . .
H3B H 0.4108 0.3905 0.2912 0.036 Uiso 1 1 calc R . .
C4 C 0.4347(3) 0.2332(3) 0.2675(3) 0.0414(9) Uani 1 1 d . . .
H4A H 0.5054 0.2343 0.3104 0.062 Uiso 1 1 calc R . .
H4B H 0.4325 0.2427 0.2014 0.062 Uiso 1 1 calc R . .
H4C H 0.4039 0.1649 0.2735 0.062 Uiso 1 1 calc R . .
C5 C 0.5243(2) 0.1799(3) 0.5149(2) 0.0275(7) Uani 1 1 d . . .
H5A H 0.5315 0.1476 0.4568 0.033 Uiso 1 1 calc R . .
H5B H 0.5913 0.1761 0.5662 0.033 Uiso 1 1 calc R . .
C6 C 0.4499(2) 0.1155(2) 0.5444(2) 0.0232(6) Uani 1 1 d . . .
C7 C 0.3706(2) 0.0626(2) 0.4771(2) 0.0244(7) Uani 1 1 d . . .
H7 H 0.3652 0.0646 0.4117 0.029 Uiso 1 1 calc R . .
C8 C 0.2988(2) 0.0064(2) 0.5039(2) 0.0249(7) Uani 1 1 d . . .
C9 C 0.3093(2) 0.0034(2) 0.6002(2) 0.0254(7) Uani 1 1 d . . .
H9 H 0.2605 -0.0339 0.6192 0.031 Uiso 1 1 calc R . .
C10 C 0.3892(2) 0.0534(3) 0.6694(2) 0.0269(7) Uani 1 1 d . . .
C11 C 0.4589(2) 0.1102(2) 0.6409(2) 0.0250(7) Uani 1 1 d . . .
H11 H 0.5132 0.1458 0.6874 0.030 Uiso 1 1 calc R . .
C12 C 0.2121(3) -0.0485(3) 0.4296(2) 0.0347(8) Uani 1 1 d . . .
H12A H 0.2332 -0.1199 0.4180 0.052 Uiso 1 1 calc R . .
H12B H 0.1922 -0.0077 0.3700 0.052 Uiso 1 1 calc R . .
H12C H 0.1544 -0.0538 0.4524 0.052 Uiso 1 1 calc R . .
C13 C 0.3990(3) 0.0476(3) 0.7734(3) 0.0427(9) Uani 1 1 d . . .
H13A H 0.4322 -0.0191 0.8008 0.064 Uiso 1 1 calc R . .
H13B H 0.3315 0.0505 0.7792 0.064 Uiso 1 1 calc R . .
H13C H 0.4396 0.1075 0.8079 0.064 Uiso 1 1 calc R . .
C14 C 0.2173(2) 0.3019(2) 0.5436(2) 0.0212(6) Uani 1 1 d . . .
C15 C 0.2154(2) 0.2775(3) 0.6347(2) 0.0266(7) Uani 1 1 d . . .
H15 H 0.2582 0.3148 0.6889 0.032 Uiso 1 1 calc R . .
C16 C 0.1512(2) 0.1990(3) 0.6460(2) 0.0301(7) Uani 1 1 d . . .
H16 H 0.1501 0.1828 0.7080 0.036 Uiso 1 1 calc R . .
C17 C 0.0891(2) 0.1443(3) 0.5680(3) 0.0306(8) Uani 1 1 d . . .
H17 H 0.0452 0.0906 0.5763 0.037 Uiso 1 1 calc R . .
C18 C 0.0905(2) 0.1676(3) 0.4777(2) 0.0284(7) Uani 1 1 d . . .
H18 H 0.0473 0.1298 0.4240 0.034 Uiso 1 1 calc R . .
C19 C 0.1545(2) 0.2456(2) 0.4648(2) 0.0244(7) Uani 1 1 d . . .
H19 H 0.1555 0.2608 0.4026 0.029 Uiso 1 1 calc R . .
C20 C 0.2396(2) 0.5304(2) 0.5401(2) 0.0211(6) Uani 1 1 d . . .
C21 C 0.2974(2) 0.6180(2) 0.5845(2) 0.0267(7) Uani 1 1 d . . .
H21 H 0.3687 0.6115 0.6140 0.032 Uiso 1 1 calc R . .
C22 C 0.2503(2) 0.7142(3) 0.5856(3) 0.0310(7) Uani 1 1 d . . .
H22 H 0.2895 0.7740 0.6157 0.037 Uiso 1 1 calc R . .
C23 C 0.1464(3) 0.7239(3) 0.5429(2) 0.0312(8) Uani 1 1 d . . .
H23 H 0.1143 0.7899 0.5448 0.037 Uiso 1 1 calc R . .
C24 C 0.0889(2) 0.6376(3) 0.4973(2) 0.0288(7) Uani 1 1 d . . .
H24 H 0.0178 0.6448 0.4669 0.035 Uiso 1 1 calc R . .
C25 C 0.1355(2) 0.5407(3) 0.4963(2) 0.0254(7) Uani 1 1 d . . .
H25 H 0.0962 0.4813 0.4656 0.031 Uiso 1 1 calc R . .
Pd1 Pd 0.460910(16) 0.381382(18) 0.623645(16) 0.01937(8) Uani 1 1 d . . .
P1 P 0.30097(6) 0.40629(6) 0.53163(5) 0.01902(16) Uani 1 1 d . . .
S1 S 0.48883(6) 0.32086(6) 0.49004(5) 0.02204(16) Uani 1 1 d . . .
Cl1 Cl 0.42733(6) 0.44857(6) 0.75583(5) 0.02589(17) Uani 1 1 d . . .
Cl2 Cl 0.63598(5) 0.34622(6) 0.71136(5) 0.02587(17) 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'
Pd Pd -0.9988 1.0072 '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'
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
C2 C1 P1 111.4(2) . . ?
C2 C1 H1A 109.4 . . ?
P1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
P1 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C1 C2 C3 110.9(3) . . ?
C1 C2 S1 107.1(2) . . ?
C3 C2 S1 111.7(2) . . ?
C1 C2 H2 109.0 . . ?
C3 C2 H2 109.0 . . ?
S1 C2 H2 109.0 . . ?
C4 C3 C2 116.0(3) . . ?
C4 C3 H3A 108.3 . . ?
C2 C3 H3A 108.3 . . ?
C4 C3 H3B 108.3 . . ?
C2 C3 H3B 108.3 . . ?
H3A C3 H3B 107.4 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 S1 114.3(2) . . ?
C6 C5 H5A 108.7 . . ?
S1 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
S1 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C11 119.2(3) . . ?
C7 C6 C5 121.0(3) . . ?
C11 C6 C5 119.8(3) . . ?
C6 C7 C8 121.2(3) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C9 C8 C7 118.2(3) . . ?
C9 C8 C12 121.4(3) . . ?
C7 C8 C12 120.4(3) . . ?
C10 C9 C8 121.9(3) . . ?
C10 C9 H9 119.0 . . ?
C8 C9 H9 119.0 . . ?
C9 C10 C11 118.8(3) . . ?
C9 C10 C13 120.5(3) . . ?
C11 C10 C13 120.7(3) . . ?
C10 C11 C6 120.6(3) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 119.2(3) . . ?
C19 C14 P1 122.1(2) . . ?
C15 C14 P1 118.7(2) . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 120.5(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C14 119.8(3) . . ?
C18 C19 H19 120.1 . . ?
C14 C19 H19 120.1 . . ?
C25 C20 C21 119.9(3) . . ?
C25 C20 P1 119.8(2) . . ?
C21 C20 P1 120.2(2) . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.3(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 120.2(3) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C25 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C20 120.1(3) . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
P1 Pd1 S1 86.95(3) . . ?
P1 Pd1 Cl1 90.99(3) . . ?
S1 Pd1 Cl1 177.47(3) . . ?
P1 Pd1 Cl2 174.88(3) . . ?
S1 Pd1 Cl2 88.00(3) . . ?
Cl1 Pd1 Cl2 94.08(3) . . ?
C20 P1 C14 106.32(13) . . ?
C20 P1 C1 103.90(14) . . ?
C14 P1 C1 108.09(14) . . ?
C20 P1 Pd1 118.98(10) . . ?
C14 P1 Pd1 112.96(10) . . ?
C1 P1 Pd1 105.81(10) . . ?
C2 S1 C5 103.38(15) . . ?
C2 S1 Pd1 107.60(10) . . ?
C5 S1 Pd1 105.16(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
C1 C2 1.519(4) . ?
C1 P1 1.827(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.532(4) . ?
C2 S1 1.847(3) . ?
C2 H2 1.0000 . ?
C3 C4 1.524(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.501(4) . ?
C5 S1 1.848(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.388(4) . ?
C6 C11 1.398(4) . ?
C7 C8 1.395(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.390(4) . ?
C8 C12 1.506(4) . ?
C9 C10 1.389(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(5) . ?
C10 C13 1.508(5) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.397(4) . ?
C14 C15 1.397(4) . ?
C14 P1 1.812(3) . ?
C15 C16 1.386(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.389(4) . ?
C20 C21 1.395(4) . ?
C20 P1 1.811(3) . ?
C21 C22 1.383(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
Pd1 P1 2.2185(8) . ?
Pd1 S1 2.2825(8) . ?
Pd1 Cl1 2.3304(7) . ?
Pd1 Cl2 2.3991(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
P1 C1 C2 C3 -172.2(2) . . . . ?
P1 C1 C2 S1 -50.1(2) . . . . ?
C1 C2 C3 C4 -177.1(3) . . . . ?
S1 C2 C3 C4 63.6(3) . . . . ?
S1 C5 C6 C7 90.8(3) . . . . ?
S1 C5 C6 C11 -87.9(3) . . . . ?
C11 C6 C7 C8 1.5(4) . . . . ?
C5 C6 C7 C8 -177.2(3) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C6 C7 C8 C12 178.7(3) . . . . ?
C7 C8 C9 C10 -0.6(4) . . . . ?
C12 C8 C9 C10 179.7(3) . . . . ?
C8 C9 C10 C11 1.6(5) . . . . ?
C8 C9 C10 C13 -179.3(3) . . . . ?
C9 C10 C11 C6 -1.0(5) . . . . ?
C13 C10 C11 C6 179.9(3) . . . . ?
C7 C6 C11 C10 -0.5(4) . . . . ?
C5 C6 C11 C10 178.2(3) . . . . ?
C19 C14 C15 C16 -0.5(5) . . . . ?
P1 C14 C15 C16 179.1(2) . . . . ?
C14 C15 C16 C17 0.2(5) . . . . ?
C15 C16 C17 C18 0.0(5) . . . . ?
C16 C17 C18 C19 0.2(5) . . . . ?
C17 C18 C19 C14 -0.6(5) . . . . ?
C15 C14 C19 C18 0.8(4) . . . . ?
P1 C14 C19 C18 -178.9(2) . . . . ?
C25 C20 C21 C22 0.7(5) . . . . ?
P1 C20 C21 C22 176.1(3) . . . . ?
C20 C21 C22 C23 0.1(5) . . . . ?
C21 C22 C23 C24 -1.2(5) . . . . ?
C22 C23 C24 C25 1.4(5) . . . . ?
C23 C24 C25 C20 -0.5(5) . . . . ?
C21 C20 C25 C24 -0.5(5) . . . . ?
P1 C20 C25 C24 -175.9(2) . . . . ?
C25 C20 P1 C14 -39.9(3) . . . . ?
C21 C20 P1 C14 144.8(3) . . . . ?
C25 C20 P1 C1 74.1(3) . . . . ?
C21 C20 P1 C1 -101.3(3) . . . . ?
C25 C20 P1 Pd1 -168.7(2) . . . . ?
C21 C20 P1 Pd1 16.0(3) . . . . ?
C19 C14 P1 C20 101.9(3) . . . . ?
C15 C14 P1 C20 -77.7(3) . . . . ?
C19 C14 P1 C1 -9.1(3) . . . . ?
C15 C14 P1 C1 171.2(2) . . . . ?
C19 C14 P1 Pd1 -125.8(2) . . . . ?
C15 C14 P1 Pd1 54.5(3) . . . . ?
C2 C1 P1 C20 170.8(2) . . . . ?
C2 C1 P1 C14 -76.6(2) . . . . ?
C2 C1 P1 Pd1 44.7(2) . . . . ?
S1 Pd1 P1 C20 -133.50(11) . . . . ?
Cl1 Pd1 P1 C20 45.03(11) . . . . ?
Cl2 Pd1 P1 C20 -143.0(3) . . . . ?
S1 Pd1 P1 C14 100.80(11) . . . . ?
Cl1 Pd1 P1 C14 -80.67(11) . . . . ?
Cl2 Pd1 P1 C14 91.3(3) . . . . ?
S1 Pd1 P1 C1 -17.26(11) . . . . ?
Cl1 Pd1 P1 C1 161.27(11) . . . . ?
Cl2 Pd1 P1 C1 -26.8(4) . . . . ?
C1 C2 S1 C5 144.4(2) . . . . ?
C3 C2 S1 C5 -94.0(2) . . . . ?
C1 C2 S1 Pd1 33.4(2) . . . . ?
C3 C2 S1 Pd1 155.0(2) . . . . ?
C6 C5 S1 C2 -59.3(3) . . . . ?
C6 C5 S1 Pd1 53.5(2) . . . . ?
P1 Pd1 S1 C2 -6.16(11) . . . . ?
Cl1 Pd1 S1 C2 -41.6(7) . . . . ?
Cl2 Pd1 S1 C2 173.00(11) . . . . ?
P1 Pd1 S1 C5 -115.89(11) . . . . ?
Cl1 Pd1 S1 C5 -151.3(7) . . . . ?
Cl2 Pd1 S1 C5 63.27(11) . . . . ?
