#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:47:42 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178701 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/12/4081235.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_4081235
loop_
_publ_author_name
'Wucher, Philipp'
'Goldbach, Verena'
'Mecking, Stefan'
_publ_section_title
;
 Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization
 Catalysts
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4516
_journal_paper_doi               10.1021/om400297x
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C26 H25 Cl F6 Li O6 P Pd S'
_chemical_formula_sum            'C26 H25 Cl F6 Li O6 P Pd S'
_chemical_formula_weight         759.28
_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                 123.592(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4772(6)
_cell_length_b                   13.2496(5)
_cell_length_c                   17.2530(7)
_cell_measurement_reflns_used    63288
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.41
_cell_measurement_theta_min      1.99
_cell_volume                     2947.2(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED32'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_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  0.0904
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            44978
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.8018
_exptl_absorpt_correction_T_min  0.7237
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.313
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         7052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0302
_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)+(0.0278P)²+4.5847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                6276
_reflns_number_total             7052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400297x_si_001.cif
_cod_data_source_block           d:\pcf3pdlicl
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4081235
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
C1 C 0.42467(17) 0.20451(17) 0.11034(14) 0.0145(4) Uani 1 1 d .
C2 C 0.33034(16) 0.23706(17) 0.09655(14) 0.0147(4) Uani 1 1 d .
C3 C 0.32197(18) 0.33784(18) 0.11398(17) 0.0203(5) Uani 1 1 d .
H3A H 0.2585 0.3618 0.1035 0.024 Uiso 1 1 calc R
C4 C 0.4043(2) 0.40411(19) 0.14628(19) 0.0264(5) Uani 1 1 d .
H4A H 0.3977 0.4721 0.1598 0.032 Uiso 1 1 calc R
C5 C 0.4964(2) 0.3715(2) 0.15893(19) 0.0270(5) Uani 1 1 d .
H5A H 0.5526 0.4172 0.1805 0.032 Uiso 1 1 calc R
C6 C 0.50633(18) 0.27196(19) 0.13993(16) 0.0207(5) Uani 1 1 d .
H6A H 0.5688 0.2498 0.1471 0.025 Uiso 1 1 calc R
C7 C 0.23356(16) 0.09506(17) 0.15956(15) 0.0146(4) Uani 1 1 d .
C8 C 0.26122(17) 0.14790(18) 0.24149(15) 0.0181(4) Uani 1 1 d .
C9 C 0.26568(19) 0.0970(2) 0.31428(16) 0.0231(5) Uani 1 1 d .
H9A H 0.2845 0.1320 0.3696 0.028 Uiso 1 1 calc R
C10 C 0.24231(19) -0.0052(2) 0.30522(17) 0.0247(5) Uani 1 1 d .
C11 C 0.21599(18) -0.05881(19) 0.22623(17) 0.0213(5) Uani 1 1 d .
H11A H 0.2011 -0.1289 0.2214 0.026 Uiso 1 1 calc R
C12 C 0.21197(17) -0.00762(18) 0.15439(15) 0.0171(4) Uani 1 1 d .
H12A H 0.1939 -0.0437 0.0998 0.021 Uiso 1 1 calc R
C13 C 0.3085(2) 0.3073(2) 0.32379(18) 0.0284(6) Uani 1 1 d .
H13A H 0.3725 0.2798 0.3778 0.034 Uiso 1 1 calc R
H13B H 0.2531 0.3049 0.3352 0.034 Uiso 1 1 calc R
H13C H 0.3201 0.3775 0.3137 0.034 Uiso 1 1 calc R
C14 C 0.2399(3) -0.0570(3) 0.3811(2) 0.0403(7) Uani 1 1 d .
C15 C 0.10854(16) 0.23727(17) 0.01306(15) 0.0156(4) Uani 1 1 d .
C16 C 0.06635(18) 0.28387(18) -0.07413(16) 0.0185(4) Uani 1 1 d .
C17 C -0.02131(18) 0.3442(2) -0.11183(16) 0.0217(5) Uani 1 1 d .
H17A H -0.0485 0.3768 -0.1700 0.026 Uiso 1 1 calc R
C18 C -0.06896(19) 0.3567(2) -0.06406(17) 0.0226(5) Uani 1 1 d .
C19 C -0.03113(19) 0.3095(2) 0.02033(16) 0.0231(5) Uani 1 1 d .
H19A H -0.0648 0.3177 0.0522 0.028 Uiso 1 1 calc R
C20 C 0.05726(18) 0.24979(19) 0.05782(16) 0.0200(5) Uani 1 1 d .
H20A H 0.0832 0.2167 0.1155 0.024 Uiso 1 1 calc R
C21 C 0.0528(2) 0.2792(3) -0.21796(17) 0.0324(6) Uani 1 1 d .
H21C H 0.0864 0.2456 -0.2452 0.039 Uiso 1 1 calc R
H21B H 0.0455 0.3514 -0.2328 0.039 Uiso 1 1 calc R
H21A H -0.0159 0.2496 -0.2435 0.039 Uiso 1 1 calc R
C22 C -0.1647(2) 0.4210(2) -0.10835(19) 0.0314(6) Uani 1 1 d .
C23 C 0.05317(17) 0.0224(2) -0.09268(17) 0.0229(5) Uani 1 1 d .
H23A H 0.0101 0.0555 -0.1534 0.048(10) Uiso 1 1 calc R
H23B H 0.0395 0.0527 -0.0487 0.047(10) Uiso 1 1 calc R
H23C H 0.0366 -0.0498 -0.0992 0.047(10) Uiso 1 1 calc R
C24 C 0.5949(2) 0.23211(19) -0.07394(17) 0.0240(5) Uani 1 1 d .
C25 C 0.6830(2) 0.2001(2) -0.0797(2) 0.0346(6) Uani 1 1 d .
H25A H 0.7439 0.2415 -0.0375 0.041 Uiso 1 1 calc R
H25B H 0.6644 0.2086 -0.1436 0.041 Uiso 1 1 calc R
H25C H 0.6989 0.1290 -0.0617 0.041 Uiso 1 1 calc R
C26 C 0.5313(2) 0.3183(3) -0.1340(2) 0.0421(8) Uani 1 1 d .
H26A H 0.4776 0.2932 -0.1959 0.050 Uiso 1 1 calc R
H26B H 0.5760 0.3662 -0.1394 0.050 Uiso 1 1 calc R
H26C H 0.4985 0.3523 -0.1062 0.050 Uiso 1 1 calc R
O1 O 0.36947(11) 0.04888(12) 0.00015(10) 0.0149(3) Uani 1 1 d .
O2 O 0.55118(12) 0.06848(13) 0.11881(11) 0.0181(3) Uani 1 1 d .
O3 O 0.43189(13) 0.02120(12) 0.16283(11) 0.0188(3) Uani 1 1 d .
O4 O 0.27872(14) 0.24818(13) 0.24231(11) 0.0223(4) Uani 1 1 d .
O5 O 0.11520(13) 0.26612(14) -0.11841(11) 0.0228(4) Uani 1 1 d .
O6 O 0.57335(14) 0.18914(14) -0.02358(12) 0.0253(4) Uani 1 1 d .
P1 P 0.21924(4) 0.15273(4) 0.05698(4) 0.01245(11) Uani 1 1 d .
F1 F 0.2497(4) -0.1531(2) 0.3822(2) 0.1290(17) Uani 1 1 d .
F2 F 0.1483(2) -0.0480(4) 0.3688(2) 0.1231(17) Uani 1 1 d .
F3 F 0.3063(2) -0.0242(3) 0.46267(14) 0.1053(13) Uani 1 1 d .
F4 F -0.24597(12) 0.37581(15) -0.18350(12) 0.0397(4) Uani 1 1 d .
F5 F -0.15184(14) 0.50978(14) -0.13758(13) 0.0411(4) Uani 1 1 d .
F6 F -0.19495(17) 0.44009(19) -0.05097(14) 0.0578(7) Uani 1 1 d .
Cl1 Cl 0.18907(4) -0.07920(5) -0.15413(4) 0.02551(13) Uani 1 1 d .
Li1 Li 0.6285(3) 0.0765(3) 0.0632(3) 0.0208(8) Uani 1 1 d .
S5 S 0.44743(4) 0.07560(4) 0.09935(3) 0.01302(10) Uani 1 1 d .
Pd1 Pd 0.205088(12) 0.040493(13) -0.044671(11) 0.01309(5) 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'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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'
Li Li -0.0003 0.0001 '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'
Pd Pd -0.9988 1.0072 '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
C6 C1 C2 120.7(2) . .
C6 C1 S5 117.56(17) . .
C2 C1 S5 121.62(17) . .
C3 C2 C1 118.0(2) . .
C3 C2 P1 118.99(17) . .
C1 C2 P1 123.05(17) . .
C4 C3 C2 121.4(2) . .
C5 C4 C3 120.2(2) . .
C4 C5 C6 119.8(2) . .
C5 C6 C1 119.9(2) . .
C12 C7 C8 118.5(2) . .
C12 C7 P1 116.80(17) . .
C8 C7 P1 124.67(18) . .
O4 C8 C9 123.7(2) . .
O4 C8 C7 116.4(2) . .
C9 C8 C7 119.9(2) . .
C10 C9 C8 119.4(2) . .
C11 C10 C9 121.9(2) . .
C11 C10 C14 119.4(3) . .
C9 C10 C14 118.7(2) . .
C10 C11 C12 118.3(2) . .
C11 C12 C7 122.1(2) . .
F3 C14 F1 107.8(3) . .
F3 C14 F2 106.5(3) . .
F1 C14 F2 101.5(4) . .
F3 C14 C10 114.6(3) . .
F1 C14 C10 114.2(3) . .
F2 C14 C10 111.2(3) . .
C20 C15 C16 118.1(2) . .
C20 C15 P1 122.43(17) . .
C16 C15 P1 119.12(16) . .
O5 C16 C17 122.6(2) . .
O5 C16 C15 116.8(2) . .
C17 C16 C15 120.6(2) . .
C18 C17 C16 119.6(2) . .
C19 C18 C17 121.2(2) . .
C19 C18 C22 121.1(2) . .
C17 C18 C22 117.7(2) . .
C18 C19 C20 118.8(2) . .
C15 C20 C19 121.8(2) . .
F6 C22 F5 107.5(2) . .
F6 C22 F4 105.9(2) . .
F5 C22 F4 106.4(2) . .
F6 C22 C18 112.5(2) . .
F5 C22 C18 112.4(2) . .
F4 C22 C18 111.7(2) . .
O6 C24 C25 122.2(2) . .
O6 C24 C26 121.0(3) . .
C25 C24 C26 116.8(2) . .
S5 O1 Li1 125.25(15) . 3_655
S5 O1 Pd1 117.15(8) . .
Li1 O1 Pd1 97.44(13) 3_655 .
S5 O2 Li1 143.38(16) . .
C8 O4 C13 119.8(2) . .
C16 O5 C21 115.74(18) . .
C24 O6 Li1 136.4(2) . .
C15 P1 C7 104.01(10) . .
C15 P1 C2 104.59(10) . .
C7 P1 C2 107.93(10) . .
C15 P1 Pd1 115.12(7) . .
C7 P1 Pd1 113.10(8) . .
C2 P1 Pd1 111.40(7) . .
Li1 Cl1 Pd1 84.29(10) 3_655 .
O2 Li1 O6 107.4(2) . .
O2 Li1 O1 115.6(2) . 3_655
O6 Li1 O1 110.5(2) . 3_655
O2 Li1 Cl1 121.4(2) . 3_655
O6 Li1 Cl1 110.9(2) . 3_655
O1 Li1 Cl1 90.08(16) 3_655 3_655
O2 Li1 Pd1 142.6(2) . 3_655
O6 Li1 Pd1 109.48(17) . 3_655
O1 Li1 Pd1 43.86(9) 3_655 3_655
Cl1 Li1 Pd1 48.12(7) 3_655 3_655
O3 S5 O2 114.92(10) . .
O3 S5 O1 112.63(10) . .
O2 S5 O1 109.84(9) . .
O3 S5 C1 105.91(10) . .
O2 S5 C1 107.31(10) . .
O1 S5 C1 105.58(9) . .
C23 Pd1 O1 175.01(8) . .
C23 Pd1 P1 89.27(7) . .
O1 Pd1 P1 95.65(4) . .
C23 Pd1 Cl1 90.51(7) . .
O1 Pd1 Cl1 84.57(4) . .
P1 Pd1 Cl1 179.68(3) . .
C23 Pd1 Li1 136.34(10) . 3_655
O1 Pd1 Li1 38.69(9) . 3_655
P1 Pd1 Li1 132.68(8) . 3_655
Cl1 Pd1 Li1 47.59(8) . 3_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.394(3) .
C1 C2 1.411(3) .
C1 S5 1.775(2) .
C2 C3 1.390(3) .
C2 P1 1.836(2) .
C3 C4 1.386(3) .
C4 C5 1.386(4) .
C5 C6 1.388(4) .
C7 C12 1.392(3) .
C7 C8 1.415(3) .
C7 P1 1.825(2) .
C8 O4 1.354(3) .
C8 C9 1.393(3) .
C9 C10 1.388(4) .
C10 C11 1.383(4) .
C10 C14 1.496(4) .
C11 C12 1.384(3) .
C13 O4 1.444(3) .
C14 F3 1.275(4) .
C14 F1 1.282(4) .
C14 F2 1.318(4) .
C15 C20 1.390(3) .
C15 C16 1.408(3) .
C15 P1 1.824(2) .
C16 O5 1.360(3) .
C16 C17 1.388(3) .
C17 C18 1.387(3) .
C18 C19 1.382(3) .
C18 C22 1.501(3) .
C19 C20 1.392(3) .
C21 O5 1.441(3) .
C22 F6 1.333(3) .
C22 F5 1.337(4) .
C22 F4 1.348(4) .
C23 Pd1 2.029(2) .
C24 O6 1.229(3) .
C24 C25 1.483(4) .
C24 C26 1.490(4) .
O1 S5 1.4917(15) .
O1 Li1 1.998(4) 3_655
O1 Pd1 2.2149(15) .
O2 S5 1.4503(16) .
O2 Li1 1.908(4) .
O3 S5 1.4383(17) .
O6 Li1 1.944(5) .
P1 Pd1 2.2158(6) .
Cl1 Li1 2.352(4) 3_655
Cl1 Pd1 2.3717(6) .
Li1 O1 1.998(4) 3_655
Li1 Cl1 2.352(4) 3_655
Li1 Pd1 3.169(4) 3_655
Pd1 Li1 3.169(4) 3_655
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
C6 C1 C2 C3 -0.4(3) . .
S5 C1 C2 C3 174.79(17) . .
C6 C1 C2 P1 179.60(17) . .
S5 C1 C2 P1 -5.2(3) . .
C1 C2 C3 C4 -1.7(3) . .
P1 C2 C3 C4 178.3(2) . .
C2 C3 C4 C5 2.2(4) . .
C3 C4 C5 C6 -0.6(4) . .
C4 C5 C6 C1 -1.5(4) . .
C2 C1 C6 C5 2.0(3) . .
S5 C1 C6 C5 -173.4(2) . .
C12 C7 C8 O4 -178.23(19) . .
P1 C7 C8 O4 -0.6(3) . .
C12 C7 C8 C9 -0.4(3) . .
P1 C7 C8 C9 177.28(18) . .
O4 C8 C9 C10 177.4(2) . .
C7 C8 C9 C10 -0.3(3) . .
C8 C9 C10 C11 0.9(4) . .
C8 C9 C10 C14 -175.6(2) . .
C9 C10 C11 C12 -0.8(4) . .
C14 C10 C11 C12 175.7(2) . .
C10 C11 C12 C7 0.1(3) . .
C8 C7 C12 C11 0.5(3) . .
P1 C7 C12 C11 -177.33(18) . .
C11 C10 C14 F3 148.7(3) . .
C9 C10 C14 F3 -34.7(5) . .
C11 C10 C14 F1 23.7(5) . .
C9 C10 C14 F1 -159.7(3) . .
C11 C10 C14 F2 -90.4(4) . .
C9 C10 C14 F2 86.2(4) . .
C20 C15 C16 O5 -176.8(2) . .
P1 C15 C16 O5 -3.2(3) . .
C20 C15 C16 C17 2.9(4) . .
P1 C15 C16 C17 176.48(19) . .
O5 C16 C17 C18 178.1(2) . .
C15 C16 C17 C18 -1.5(4) . .
C16 C17 C18 C19 -0.4(4) . .
C16 C17 C18 C22 -178.9(3) . .
C17 C18 C19 C20 0.9(4) . .
C22 C18 C19 C20 179.3(3) . .
C16 C15 C20 C19 -2.4(4) . .
P1 C15 C20 C19 -175.8(2) . .
C18 C19 C20 C15 0.5(4) . .
C19 C18 C22 F6 10.9(4) . .
C17 C18 C22 F6 -170.6(3) . .
C19 C18 C22 F5 132.4(3) . .
C17 C18 C22 F5 -49.2(3) . .
C19 C18 C22 F4 -108.1(3) . .
C17 C18 C22 F4 70.3(3) . .
C9 C8 O4 C13 3.0(3) . .
C7 C8 O4 C13 -179.3(2) . .
C17 C16 O5 C21 -22.9(4) . .
C15 C16 O5 C21 156.8(2) . .
C25 C24 O6 Li1 0.4(4) . .
C26 C24 O6 Li1 179.1(3) . .
C20 C15 P1 C7 2.3(2) . .
C16 C15 P1 C7 -171.03(18) . .
C20 C15 P1 C2 -110.9(2) . .
C16 C15 P1 C2 75.8(2) . .
C20 C15 P1 Pd1 126.57(18) . .
C16 C15 P1 Pd1 -46.7(2) . .
C12 C7 P1 C15 112.21(18) . .
C8 C7 P1 C15 -65.5(2) . .
C12 C7 P1 C2 -137.09(17) . .
C8 C7 P1 C2 45.2(2) . .
C12 C7 P1 Pd1 -13.38(19) . .
C8 C7 P1 Pd1 168.92(16) . .
C3 C2 P1 C15 19.0(2) . .
C1 C2 P1 C15 -161.02(18) . .
C3 C2 P1 C7 -91.31(19) . .
C1 C2 P1 C7 88.67(19) . .
C3 C2 P1 Pd1 143.97(16) . .
C1 C2 P1 Pd1 -36.05(19) . .
S5 O2 Li1 O6 41.3(4) . .
S5 O2 Li1 O1 -82.6(3) . 3_655
S5 O2 Li1 Cl1 170.32(16) . 3_655
S5 O2 Li1 Pd1 -129.0(3) . 3_655
C24 O6 Li1 O2 175.5(2) . .
C24 O6 Li1 O1 -57.5(4) . 3_655
C24 O6 Li1 Cl1 40.8(4) . 3_655
C24 O6 Li1 Pd1 -10.7(4) . 3_655
Li1 O2 S5 O3 154.7(3) . .
Li1 O2 S5 O1 26.5(3) . .
Li1 O2 S5 C1 -87.8(3) . .
Li1 O1 S5 O3 -77.51(19) 3_655 .
Pd1 O1 S5 O3 45.22(13) . .
Li1 O1 S5 O2 52.0(2) 3_655 .
Pd1 O1 S5 O2 174.69(9) . .
Li1 O1 S5 C1 167.37(18) 3_655 .
Pd1 O1 S5 C1 -69.91(12) . .
C6 C1 S5 O3 119.16(18) . .
C2 C1 S5 O3 -56.2(2) . .
C6 C1 S5 O2 -4.1(2) . .
C2 C1 S5 O2 -179.41(17) . .
C6 C1 S5 O1 -121.18(18) . .
C2 C1 S5 O1 63.47(19) . .
S5 O1 Pd1 C23 -142.0(10) . .
Li1 O1 Pd1 C23 -5.9(10) 3_655 .
S5 O1 Pd1 P1 28.90(10) . .
Li1 O1 Pd1 P1 165.04(13) 3_655 .
S5 O1 Pd1 Cl1 -151.33(10) . .
Li1 O1 Pd1 Cl1 -15.19(13) 3_655 .
S5 O1 Pd1 Li1 -136.14(18) . 3_655
C15 P1 Pd1 C23 -39.22(11) . .
C7 P1 Pd1 C23 80.16(11) . .
C2 P1 Pd1 C23 -158.07(11) . .
C15 P1 Pd1 O1 141.57(9) . .
C7 P1 Pd1 O1 -99.05(9) . .
C2 P1 Pd1 O1 22.72(9) . .
C15 P1 Pd1 Cl1 7(5) . .
C7 P1 Pd1 Cl1 126(5) . .
C2 P1 Pd1 Cl1 -112(5) . .
C15 P1 Pd1 Li1 154.25(13) . 3_655
C7 P1 Pd1 Li1 -86.37(13) . 3_655
C2 P1 Pd1 Li1 35.40(13) . 3_655
Li1 Cl1 Pd1 C23 -166.38(13) 3_655 .
Li1 Cl1 Pd1 O1 12.82(11) 3_655 .
Li1 Cl1 Pd1 P1 148(5) 3_655 .
