#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179781 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/77/7007715.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_7007715
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         'C24 H26 Cl5 P Pd S'
_chemical_formula_sum            'C24 H26 Cl5 P Pd S'
_chemical_formula_weight         661.13
_chemical_name_common            Pd(3)Cl2.CHCl3
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 112.7700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.7145(2)
_cell_length_b                   13.2355(2)
_cell_length_c                   14.8381(2)
_cell_measurement_reflns_used    25254
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.91
_cell_volume                     2664.56(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    'Dirdiff-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0873
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39701
_diffrn_reflns_theta_full        30.05
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    1.349
_exptl_absorpt_correction_T_max  0.7742
_exptl_absorpt_correction_T_min  0.7467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.851
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         7770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0350
_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)+(0.0268P)²+2.9514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                6398
_reflns_number_total             7770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B609607G.txt
_cod_data_source_block           Pd(3)Cl2.CHCl3
_cod_original_cell_volume        2664.56(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7007715
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.26874(16) 1.03760(18) -0.02473(16) 0.0173(4) Uani 1 1 d . . .
C2 C 0.19413(17) 1.08669(18) -0.10101(17) 0.0213(5) Uani 1 1 d . . .
H2 H 0.1270 1.0738 -0.1128 0.026 Uiso 1 1 calc R . .
C3 C 0.21837(19) 1.1549(2) -0.16005(18) 0.0268(5) Uani 1 1 d . . .
H3 H 0.1678 1.1882 -0.2123 0.032 Uiso 1 1 calc R . .
C4 C 0.31659(19) 1.1737(2) -0.14204(19) 0.0275(5) Uani 1 1 d . . .
H4 H 0.3331 1.2200 -0.1822 0.033 Uiso 1 1 calc R . .
C5 C 0.39062(19) 1.1257(2) -0.06627(19) 0.0280(6) Uani 1 1 d . . .
H5 H 0.4577 1.1391 -0.0546 0.034 Uiso 1 1 calc R . .
C6 C 0.36719(17) 1.05774(19) -0.00691(17) 0.0222(5) Uani 1 1 d . . .
H6 H 0.4182 1.0252 0.0456 0.027 Uiso 1 1 calc R . .
C7 C 0.34449(16) 0.88190(18) 0.12542(16) 0.0179(4) Uani 1 1 d . . .
C8 C 0.40885(18) 0.9325(2) 0.20864(17) 0.0250(5) Uani 1 1 d . . .
H8 H 0.3940 0.9989 0.2230 0.030 Uiso 1 1 calc R . .
C9 C 0.49460(19) 0.8847(2) 0.26989(19) 0.0313(6) Uani 1 1 d . . .
H9 H 0.5395 0.9194 0.3253 0.038 Uiso 1 1 calc R . .
C10 C 0.51500(19) 0.7868(2) 0.25061(19) 0.0310(6) Uani 1 1 d . . .
H10 H 0.5728 0.7539 0.2939 0.037 Uiso 1 1 calc R . .
C11 C 0.45176(19) 0.7369(2) 0.16892(19) 0.0296(6) Uani 1 1 d . . .
H11 H 0.4663 0.6699 0.1559 0.036 Uiso 1 1 calc R . .
C12 C 0.36676(18) 0.78440(19) 0.10545(18) 0.0238(5) Uani 1 1 d . . .
H12 H 0.3239 0.7503 0.0485 0.029 Uiso 1 1 calc R . .
C13 C 0.15750(16) 0.85523(17) -0.04447(15) 0.0169(4) Uani 1 1 d . . .
H13A H 0.1081 0.8923 -0.0997 0.020 Uiso 1 1 calc R . .
H13B H 0.1999 0.8166 -0.0702 0.020 Uiso 1 1 calc R . .
C14 C 0.10429(16) 0.78153(17) -0.00253(15) 0.0165(4) Uani 1 1 d . . .
H14 H 0.1536 0.7345 0.0437 0.020 Uiso 1 1 calc R . .
C15 C 0.02798(18) 0.71988(18) -0.08439(17) 0.0227(5) Uani 1 1 d . . .
H15A H -0.0202 0.7672 -0.1299 0.027 Uiso 1 1 calc R . .
H15B H 0.0621 0.6850 -0.1214 0.027 Uiso 1 1 calc R . .
C16 C -0.0281(2) 0.6416(2) -0.0515(2) 0.0358(7) Uani 1 1 d . . .
H16A H 0.0187 0.5964 -0.0035 0.054 Uiso 1 1 calc R . .
H16B H -0.0706 0.6022 -0.1080 0.054 Uiso 1 1 calc R . .
H16C H -0.0687 0.6757 -0.0216 0.054 Uiso 1 1 calc R . .
C17 C 0.05658(18) 0.77509(19) 0.17011(17) 0.0225(5) Uani 1 1 d . . .
H17A H 0.0346 0.8138 0.2152 0.027 Uiso 1 1 calc R . .
H17B H 0.0112 0.7171 0.1454 0.027 Uiso 1 1 calc R . .
C18 C 0.15824(18) 0.73530(19) 0.22675(16) 0.0222(5) Uani 1 1 d . . .
C19 C 0.1806(2) 0.6345(2) 0.21756(18) 0.0296(6) Uani 1 1 d . . .
H19 H 0.1311 0.5908 0.1754 0.036 Uiso 1 1 calc R . .
C20 C 0.2751(2) 0.5973(2) 0.2698(2) 0.0373(7) Uani 1 1 d . . .
H20 H 0.2900 0.5287 0.2627 0.045 Uiso 1 1 calc R . .
C21 C 0.3471(2) 0.6602(3) 0.3321(2) 0.0385(7) Uani 1 1 d . . .
H21 H 0.4114 0.6347 0.3678 0.046 Uiso 1 1 calc R . .
C22 C 0.3258(2) 0.7601(2) 0.34263(19) 0.0330(6) Uani 1 1 d . . .
H22 H 0.3752 0.8031 0.3859 0.040 Uiso 1 1 calc R . .
C23 C 0.23192(19) 0.7976(2) 0.28987(17) 0.0262(5) Uani 1 1 d . . .
H23 H 0.2177 0.8665 0.2968 0.031 Uiso 1 1 calc R . .
C24 C 0.2685(2) 0.4335(2) -0.0459(2) 0.0326(6) Uani 1 1 d . . .
H24 H 0.2177 0.4240 -0.1135 0.039 Uiso 1 1 calc R . .
Cl1 Cl 0.05690(4) 1.02990(5) 0.23323(4) 0.02215(12) Uani 1 1 d . . .
Cl2 Cl 0.23876(4) 1.14001(4) 0.17629(4) 0.02428(12) Uani 1 1 d . . .
Cl3 Cl 0.26702(5) 0.32809(5) 0.02509(6) 0.03758(16) Uani 1 1 d . . .
Cl4 Cl 0.38456(6) 0.44863(8) -0.05236(6) 0.0553(2) Uani 1 1 d . . .
Cl5 Cl 0.23903(9) 0.54223(7) 0.00543(8) 0.0655(3) Uani 1 1 d . . .
P1 P 0.23305(4) 0.94575(4) 0.04576(4) 0.01456(11) Uani 1 1 d . . .
Pd1 Pd 0.144272(12) 0.994778(12) 0.129005(11) 0.01493(5) Uani 1 1 d . . .
S1 S 0.04587(4) 0.85699(4) 0.06575(4) 0.01684(11) 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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 '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'
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
C6 C1 C2 119.9(2) . . ?
C6 C1 P1 122.13(17) . . ?
C2 C1 P1 117.94(17) . . ?
C1 C2 C3 119.9(2) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 119.7(2) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 120.6(2) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.1(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.8(2) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
C12 C7 C8 119.7(2) . . ?
C12 C7 P1 121.38(18) . . ?
C8 C7 P1 118.88(18) . . ?
C9 C8 C7 119.5(2) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 119.9(2) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C14 C13 P1 112.61(15) . . ?
C14 C13 H13A 109.1 . . ?
P1 C13 H13A 109.1 . . ?
C14 C13 H13B 109.1 . . ?
P1 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
C13 C14 C15 110.58(18) . . ?
C13 C14 S1 107.34(15) . . ?
C15 C14 S1 111.57(16) . . ?
C13 C14 H14 109.1 . . ?
C15 C14 H14 109.1 . . ?
S1 C14 H14 109.1 . . ?
C16 C15 C14 115.5(2) . . ?
C16 C15 H15A 108.4 . . ?
C14 C15 H15A 108.4 . . ?
C16 C15 H15B 108.4 . . ?
C14 C15 H15B 108.4 . . ?
H15A C15 H15B 107.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 S1 114.78(16) . . ?
C18 C17 H17A 108.6 . . ?
S1 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
S1 C17 H17B 108.6 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C23 118.7(2) . . ?
C19 C18 C17 120.2(2) . . ?
C23 C18 C17 121.1(2) . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.9(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C18 120.8(3) . . ?
C22 C23 H23 119.6 . . ?
C18 C23 H23 119.6 . . ?
Cl3 C24 Cl5 109.19(16) . . ?
Cl3 C24 Cl4 111.18(15) . . ?
Cl5 C24 Cl4 109.75(16) . . ?
Cl3 C24 H24 108.9 . . ?
Cl5 C24 H24 108.9 . . ?
Cl4 C24 H24 108.9 . . ?
C1 P1 C7 107.33(10) . . ?
C1 P1 C13 104.38(10) . . ?
C7 P1 C13 108.24(11) . . ?
C1 P1 Pd1 119.45(8) . . ?
C7 P1 Pd1 110.62(7) . . ?
C13 P1 Pd1 106.21(7) . . ?
P1 Pd1 S1 87.36(2) . . ?
P1 Pd1 Cl2 89.86(2) . . ?
S1 Pd1 Cl2 174.01(2) . . ?
P1 Pd1 Cl1 172.61(2) . . ?
S1 Pd1 Cl1 90.40(2) . . ?
Cl2 Pd1 Cl1 93.00(2) . . ?
C17 S1 C14 103.59(11) . . ?
C17 S1 Pd1 106.76(8) . . ?
C14 S1 Pd1 107.42(7) . . ?
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 C6 1.394(3) . ?
C1 C2 1.395(3) . ?
C1 P1 1.809(2) . ?
C2 C3 1.397(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.391(3) . ?
C7 C8 1.402(3) . ?
C7 P1 1.817(2) . ?
C8 C9 1.389(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.526(3) . ?
C13 P1 1.820(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.532(3) . ?
C14 S1 1.854(2) . ?
C14 H14 1.0000 . ?
C15 C16 1.518(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.499(3) . ?
C17 S1 1.846(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.394(4) . ?
C18 C23 1.396(4) . ?
C19 C20 1.393(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 Cl3 1.753(3) . ?
C24 Cl5 1.759(3) . ?
C24 Cl4 1.759(3) . ?
C24 H24 1.0000 . ?
Cl1 Pd1 2.4082(6) . ?
Cl2 Pd1 2.3163(6) . ?
P1 Pd1 2.2141(6) . ?
Pd1 S1 2.2916(6) . ?
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
C6 C1 C2 C3 0.8(4) . . . . ?
P1 C1 C2 C3 -177.2(2) . . . . ?
C1 C2 C3 C4 -0.4(4) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C3 C4 C5 C6 0.0(4) . . . . ?
C4 C5 C6 C1 0.5(4) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
P1 C1 C6 C5 177.0(2) . . . . ?
C12 C7 C8 C9 0.4(4) . . . . ?
P1 C7 C8 C9 -179.7(2) . . . . ?
C7 C8 C9 C10 -1.9(4) . . . . ?
C8 C9 C10 C11 1.9(4) . . . . ?
C9 C10 C11 C12 -0.3(4) . . . . ?
C10 C11 C12 C7 -1.2(4) . . . . ?
C8 C7 C12 C11 1.1(4) . . . . ?
P1 C7 C12 C11 -178.80(19) . . . . ?
P1 C13 C14 C15 169.80(16) . . . . ?
P1 C13 C14 S1 47.89(18) . . . . ?
C13 C14 C15 C16 178.4(2) . . . . ?
S1 C14 C15 C16 -62.2(3) . . . . ?
S1 C17 C18 C19 -106.0(2) . . . . ?
S1 C17 C18 C23 74.4(3) . . . . ?
C23 C18 C19 C20 -0.6(4) . . . . ?
C17 C18 C19 C20 179.8(2) . . . . ?
C18 C19 C20 C21 0.7(4) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C21 C22 C23 -0.5(4) . . . . ?
C21 C22 C23 C18 0.6(4) . . . . ?
C19 C18 C23 C22 0.0(4) . . . . ?
C17 C18 C23 C22 179.6(2) . . . . ?
C6 C1 P1 C7 -6.7(2) . . . . ?
C2 C1 P1 C7 171.31(19) . . . . ?
C6 C1 P1 C13 -121.4(2) . . . . ?
C2 C1 P1 C13 56.6(2) . . . . ?
C6 C1 P1 Pd1 120.19(19) . . . . ?
C2 C1 P1 Pd1 -61.8(2) . . . . ?
C12 C7 P1 C1 -104.2(2) . . . . ?
C8 C7 P1 C1 75.9(2) . . . . ?
C12 C7 P1 C13 7.9(2) . . . . ?
C8 C7 P1 C13 -171.97(18) . . . . ?
C12 C7 P1 Pd1 123.90(18) . . . . ?
C8 C7 P1 Pd1 -56.0(2) . . . . ?
C14 C13 P1 C1 -169.54(16) . . . . ?
C14 C13 P1 C7 76.36(18) . . . . ?
C14 C13 P1 Pd1 -42.45(17) . . . . ?
C1 P1 Pd1 S1 133.55(9) . . . . ?
C7 P1 Pd1 S1 -101.14(8) . . . . ?
C13 P1 Pd1 S1 16.09(8) . . . . ?
C1 P1 Pd1 Cl2 -41.13(9) . . . . ?
C7 P1 Pd1 Cl2 84.17(8) . . . . ?
C13 P1 Pd1 Cl2 -158.60(8) . . . . ?
C1 P1 Pd1 Cl1 -154.00(17) . . . . ?
C7 P1 Pd1 Cl1 -28.7(2) . . . . ?
C13 P1 Pd1 Cl1 88.53(18) . . . . ?
C18 C17 S1 C14 51.1(2) . . . . ?
C18 C17 S1 Pd1 -62.15(19) . . . . ?
C13 C14 S1 C17 -144.63(15) . . . . ?
C15 C14 S1 C17 94.08(17) . . . . ?
C13 C14 S1 Pd1 -31.87(15) . . . . ?
C15 C14 S1 Pd1 -153.16(14) . . . . ?
P1 Pd1 S1 C17 116.84(9) . . . . ?
Cl2 Pd1 S1 C17 179(17) . . . . ?
Cl1 Pd1 S1 C17 -56.12(9) . . . . ?
P1 Pd1 S1 C14 6.25(7) . . . . ?
Cl2 Pd1 S1 C14 68.7(2) . . . . ?
Cl1 Pd1 S1 C14 -166.71(7) . . . . ?
