#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:25:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179663 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/16/4511630.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_4511630
loop_
_publ_author_name
'Wucher, Philipp'
'Schwaderer, Judith B.'
'Mecking, Stefan'
_publ_section_title
;
 Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer
 Insertion Copolymerization
;
_journal_issue                   8
_journal_name_full               'ACS Catalysis'
_journal_page_first              2672
_journal_paper_doi               10.1021/cs5005954
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C48 H54 Cl2 Li2 O12 P2 Pd2 S2'
_chemical_formula_sum            'C48 H54 Cl2 Li2 O12 P2 Pd2 S2'
_chemical_formula_weight         1246.55
_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                103.819(5)
_cell_angle_beta                 93.508(5)
_cell_angle_gamma                106.900(4)
_cell_formula_units_Z            1
_cell_length_a                   9.6353(6)
_cell_length_b                   10.7338(6)
_cell_length_c                   13.7048(8)
_cell_measurement_reflns_used    51098
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.25
_cell_measurement_theta_min      2.22
_cell_volume                     1303.85(14)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28991
_diffrn_reflns_theta_full        31.85
_diffrn_reflns_theta_max         31.85
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_T_max  0.8765
_exptl_absorpt_correction_T_min  0.7083
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         8896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0308
_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)+(0.0299P)²+1.1561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0683
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                7880
_reflns_number_total             8896
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cs5005954_si_002.cif
_cod_data_source_block           d:\pw436
_cod_depositor_comments
'Adding full bibliography for 4511628--4511631.cif.'
_cod_original_cell_volume        1303.85(13)
_cod_database_code               4511630
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
C1 C 0.71467(18) 0.29809(17) 0.72183(12) 0.0178(3) Uani 1 1 d .
C2 C 0.84164(18) 0.31705(17) 0.78748(12) 0.0168(3) Uani 1 1 d .
C3 C 0.94720(19) 0.44449(18) 0.81442(13) 0.0203(3) Uani 1 1 d .
H3A H 1.0337 0.4598 0.8588 0.024 Uiso 1 1 calc R
C4 C 0.9288(2) 0.54943(19) 0.77786(15) 0.0242(3) Uani 1 1 d .
H4A H 1.0026 0.6352 0.7969 0.029 Uiso 1 1 calc R
C5 C 0.8027(2) 0.5293(2) 0.71350(16) 0.0272(4) Uani 1 1 d .
H5A H 0.7897 0.6009 0.6885 0.033 Uiso 1 1 calc R
C6 C 0.6957(2) 0.40331(19) 0.68591(14) 0.0233(3) Uani 1 1 d .
H6A H 0.6090 0.3891 0.6422 0.028 Uiso 1 1 calc R
C7 C 0.78632(18) 0.19198(18) 0.95104(12) 0.0184(3) Uani 1 1 d .
C8 C 0.75896(19) 0.30981(18) 1.00101(13) 0.0196(3) Uani 1 1 d .
H8A H 0.7890 0.3878 0.9765 0.024 Uiso 1 1 calc R
C9 C 0.68790(19) 0.31403(18) 1.08659(13) 0.0210(3) Uani 1 1 d .
H9A H 0.6707 0.3952 1.1204 0.025 Uiso 1 1 calc R
C10 C 0.6419(2) 0.20075(19) 1.12315(13) 0.0216(3) Uani 1 1 d .
C11 C 0.6716(2) 0.0829(2) 1.07404(14) 0.0255(4) Uani 1 1 d .
H11A H 0.6432 0.0056 1.0994 0.031 Uiso 1 1 calc R
C12 C 0.7422(2) 0.07839(19) 0.98857(14) 0.0234(3) Uani 1 1 d .
H12A H 0.7607 -0.0024 0.9553 0.028 Uiso 1 1 calc R
C13 C 0.5572(2) 0.2000(2) 1.21166(15) 0.0284(4) Uani 1 1 d .
H13A H 0.4573 0.1351 1.1886 0.034 Uiso 1 1 calc R
H13B H 0.6062 0.1704 1.2634 0.034 Uiso 1 1 calc R
C14 C 1.06998(19) 0.24548(18) 0.88406(13) 0.0195(3) Uani 1 1 d .
C15 C 1.1705(2) 0.27295(19) 0.81575(14) 0.0217(3) Uani 1 1 d .
C16 C 1.3203(2) 0.3167(2) 0.84875(16) 0.0276(4) Uani 1 1 d .
H16A H 1.3882 0.3378 0.8031 0.033 Uiso 1 1 calc R
C17 C 1.3699(2) 0.3293(2) 0.94919(18) 0.0326(4) Uani 1 1 d .
H17A H 1.4723 0.3576 0.9714 0.039 Uiso 1 1 calc R
C18 C 1.2732(2) 0.3015(2) 1.01706(17) 0.0315(4) Uani 1 1 d .
H18A H 1.3087 0.3106 1.0855 0.038 Uiso 1 1 calc R
C19 C 1.1228(2) 0.2598(2) 0.98451(14) 0.0242(3) Uani 1 1 d .
H19A H 1.0558 0.2410 1.0312 0.029 Uiso 1 1 calc R
C20 C 1.2062(2) 0.3147(3) 0.65410(17) 0.0329(4) Uani 1 1 d .
H20A H 1.2808 0.2693 0.6414 0.039 Uiso 1 1 calc R
H20B H 1.2542 0.4110 0.6872 0.039 Uiso 1 1 calc R
H20C H 1.1487 0.3043 0.5895 0.039 Uiso 1 1 calc R
C21 C 0.9423(2) -0.0770(2) 0.79827(15) 0.0271(4) Uani 1 1 d .
H21A H 1.0327 -0.0614 0.7674 0.033 Uiso 1 1 calc R
H21B H 0.9008 -0.1735 0.7934 0.033 Uiso 1 1 calc R
H21C H 0.9640 -0.0254 0.8698 0.033 Uiso 1 1 calc R
C22 C 0.8659(3) 0.0933(3) 0.4636(2) 0.0423(6) Uani 1 1 d .
H22C H 0.7952 0.0027 0.4362 0.051 Uiso 1 1 calc R
H22B H 0.8974 0.1077 0.5359 0.051 Uiso 1 1 calc R
H22A H 0.9511 0.1020 0.4271 0.051 Uiso 1 1 calc R
C23 C 0.7957(2) 0.1964(3) 0.45087(19) 0.0365(5) Uani 1 1 d .
C24 C 0.8921(4) 0.3289(4) 0.4436(5) 0.104(2) Uani 1 1 d .
H24C H 0.8320 0.3854 0.4328 0.125 Uiso 1 1 calc R
H24B H 0.9473 0.3146 0.3865 0.125 Uiso 1 1 calc R
H24A H 0.9604 0.3741 0.5067 0.125 Uiso 1 1 calc R
Cl1 Cl 0.69959(5) -0.23222(4) 0.59876(3) 0.02112(8) Uani 1 1 d .
Li1 Li 0.4641(4) 0.1332(3) 0.4666(3) 0.0250(6) Uani 1 1 d .
O1 O 0.63815(14) 0.03991(13) 0.63368(9) 0.0197(2) Uani 1 1 d .
O2 O 0.51404(15) 0.11625(14) 0.77492(10) 0.0228(3) Uani 1 1 d .
O3 O 0.46570(14) 0.15660(13) 0.61010(10) 0.0211(2) Uani 1 1 d .
O4 O 0.5482(2) 0.33029(18) 1.25524(15) 0.0474(5) Uani 1 1 d .
H25 H 0.487(3) 0.3253(3) 1.296(2) 0.083(13) Uiso 1 1 calc R
O5 O 1.11105(15) 0.25508(15) 0.71886(10) 0.0255(3) Uani 1 1 d .
O6 O 0.66533(16) 0.17848(17) 0.45046(12) 0.0333(3) Uani 1 1 d .
S1 S 0.57001(4) 0.14185(4) 0.68460(3) 0.01687(8) Uani 1 1 d .
P1 P 0.87537(5) 0.18292(4) 0.83751(3) 0.01622(8) Uani 1 1 d .
Pd1 Pd 0.794765(14) -0.015870(13) 0.723635(9) 0.01611(4) 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'
Li Li -0.0003 0.0001 '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'
S S 0.1246 0.1234 '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'
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 120.77(16) . .
C6 C1 S1 117.18(13) . .
C2 C1 S1 122.02(13) . .
C3 C2 C1 117.71(15) . .
C3 C2 P1 118.89(13) . .
C1 C2 P1 123.40(13) . .
C4 C3 C2 121.53(16) . .
C5 C4 C3 120.06(17) . .
C4 C5 C6 119.46(17) . .
C1 C6 C5 120.46(17) . .
C8 C7 C12 119.00(16) . .
C8 C7 P1 121.22(13) . .
C12 C7 P1 119.77(14) . .
C9 C8 C7 120.43(16) . .
C10 C9 C8 120.72(17) . .
C9 C10 C11 118.90(17) . .
C9 C10 C13 121.80(17) . .
C11 C10 C13 119.27(17) . .
C12 C11 C10 120.47(17) . .
C11 C12 C7 120.45(18) . .
O4 C13 C10 110.63(17) . .
C19 C14 C15 119.06(16) . .
C19 C14 P1 121.73(14) . .
C15 C14 P1 119.12(13) . .
O5 C15 C16 123.93(18) . .
O5 C15 C14 115.79(15) . .
C16 C15 C14 120.28(17) . .
C17 C16 C15 119.42(19) . .
C18 C17 C16 121.19(18) . .
C17 C18 C19 119.47(19) . .
C14 C19 C18 120.57(19) . .
O6 C23 C24 119.1(3) . .
O6 C23 C22 122.9(2) . .
C24 C23 C22 117.9(2) . .
Li1 Cl1 Pd1 84.54(8) 2_656 .
O6 Li1 O3 103.89(17) . .
O6 Li1 O1 107.32(18) . 2_656
O3 Li1 O1 122.55(19) . 2_656
O6 Li1 Cl1 123.16(17) . 2_656
O3 Li1 Cl1 111.34(17) . 2_656
O1 Li1 Cl1 89.66(13) 2_656 2_656
O6 Li1 Pd1 122.56(15) . 2_656
O3 Li1 Pd1 133.23(16) . 2_656
O1 Li1 Pd1 41.70(7) 2_656 2_656
Cl1 Li1 Pd1 48.16(6) 2_656 2_656
O6 Li1 Li1 82.00(16) . 2_656
O3 Li1 Li1 70.01(13) . 2_656
O1 Li1 Li1 68.20(13) 2_656 2_656
Cl1 Li1 Li1 151.46(19) 2_656 2_656
Pd1 Li1 Li1 108.87(14) 2_656 2_656
S1 O1 Li1 126.20(13) . 2_656
S1 O1 Pd1 119.65(7) . .
Li1 O1 Pd1 101.70(11) 2_656 .
S1 O3 Li1 130.11(14) . .
C15 O5 C20 117.21(16) . .
C23 O6 Li1 169.9(2) . .
O2 S1 O3 115.28(8) . .
O2 S1 O1 112.88(8) . .
O3 S1 O1 109.16(8) . .
O2 S1 C1 107.29(8) . .
O3 S1 C1 106.20(8) . .
O1 S1 C1 105.32(8) . .
C14 P1 C7 104.86(8) . .
C14 P1 C2 104.26(8) . .
C7 P1 C2 103.95(8) . .
C14 P1 Pd1 116.42(6) . .
C7 P1 Pd1 114.36(6) . .
C2 P1 Pd1 111.74(6) . .
C21 Pd1 O1 175.94(6) . .
C21 Pd1 P1 88.66(6) . .
O1 Pd1 P1 94.85(4) . .
C21 Pd1 Cl1 92.79(6) . .
O1 Pd1 Cl1 83.73(3) . .
P1 Pd1 Cl1 178.298(17) . .
C21 Pd1 Li1 140.05(8) . 2_656
O1 Pd1 Li1 36.61(7) . 2_656
P1 Pd1 Li1 131.22(6) . 2_656
Cl1 Pd1 Li1 47.30(6) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.388(2) .
C1 C2 1.407(2) .
C1 S1 1.7779(17) .
C2 C3 1.395(2) .
C2 P1 1.8344(17) .
C3 C4 1.388(3) .
C4 C5 1.387(3) .
C5 C6 1.390(3) .
C7 C8 1.393(3) .
C7 C12 1.399(2) .
C7 P1 1.8182(18) .
C8 C9 1.392(2) .
C9 C10 1.390(3) .
C10 C11 1.401(3) .
C10 C13 1.503(3) .
C11 C12 1.388(3) .
C13 O4 1.413(3) .
C14 C19 1.395(2) .
C14 C15 1.406(3) .
C14 P1 1.8141(17) .
C15 O5 1.360(2) .
C15 C16 1.391(3) .
C16 C17 1.391(3) .
C17 C18 1.378(3) .
C18 C19 1.396(3) .
C20 O5 1.438(2) .
C21 Pd1 2.0451(18) .
C22 C23 1.491(4) .
C23 O6 1.214(3) .
C23 C24 1.486(4) .
Cl1 Li1 2.382(3) 2_656
Cl1 Pd1 2.4154(5) .
Li1 O6 1.898(4) .
Li1 O3 1.920(4) .
Li1 O1 1.965(4) 2_656
Li1 Cl1 2.382(3) 2_656
Li1 Pd1 3.227(3) 2_656
Li1 Li1 3.437(7) 2_656
O1 S1 1.4915(14) .
O1 Li1 1.965(4) 2_656
O1 Pd1 2.1922(12) .
O2 S1 1.4340(14) .
O3 S1 1.4567(13) .
P1 Pd1 2.2112(5) .
Pd1 Li1 3.227(3) 2_656
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 -0.3(3) . .
S1 C1 C2 C3 -178.28(13) . .
C6 C1 C2 P1 -179.58(14) . .
S1 C1 C2 P1 2.4(2) . .
C1 C2 C3 C4 -0.2(3) . .
P1 C2 C3 C4 179.09(15) . .
C2 C3 C4 C5 0.5(3) . .
C3 C4 C5 C6 -0.2(3) . .
C2 C1 C6 C5 0.6(3) . .
S1 C1 C6 C5 178.65(16) . .
C4 C5 C6 C1 -0.3(3) . .
C12 C7 C8 C9 -0.4(3) . .
P1 C7 C8 C9 178.64(13) . .
C7 C8 C9 C10 -0.6(3) . .
C8 C9 C10 C11 1.7(3) . .
C8 C9 C10 C13 -176.37(17) . .
C9 C10 C11 C12 -1.8(3) . .
C13 C10 C11 C12 176.32(18) . .
C10 C11 C12 C7 0.8(3) . .
C8 C7 C12 C11 0.3(3) . .
P1 C7 C12 C11 -178.76(15) . .
C9 C10 C13 O4 -6.3(3) . .
C11 C10 C13 O4 175.64(19) . .
C19 C14 C15 O5 179.14(17) . .
P1 C14 C15 O5 2.7(2) . .
C19 C14 C15 C16 -1.4(3) . .
P1 C14 C15 C16 -177.85(15) . .
O5 C15 C16 C17 -178.81(19) . .
C14 C15 C16 C17 1.8(3) . .
C15 C16 C17 C18 -1.1(3) . .
C16 C17 C18 C19 0.0(3) . .
C15 C14 C19 C18 0.4(3) . .
P1 C14 C19 C18 176.67(16) . .
C17 C18 C19 C14 0.3(3) . .
O6 Li1 O3 S1 -29.5(2) . .
O1 Li1 O3 S1 91.9(2) 2_656 .
Cl1 Li1 O3 S1 -164.07(10) 2_656 .
Pd1 Li1 O3 S1 143.93(15) 2_656 .
Li1 Li1 O3 S1 46.45(18) 2_656 .
C16 C15 O5 C20 -15.3(3) . .
C14 C15 O5 C20 164.09(18) . .
C24 C23 O6 Li1 -142.5(11) . .
C22 C23 O6 Li1 34.3(13) . .
O3 Li1 O6 C23 41.6(13) . .
O1 Li1 O6 C23 -89.6(12) 2_656 .
Cl1 Li1 O6 C23 169.1(11) 2_656 .
Pd1 Li1 O6 C23 -132.8(11) 2_656 .
Li1 Li1 O6 C23 -25.5(12) 2_656 .
Li1 O3 S1 O2 -157.37(17) . .
Li1 O3 S1 O1 -29.11(19) . .
Li1 O3 S1 C1 83.99(18) . .
Li1 O1 S1 O2 87.12(16) 2_656 .
Pd1 O1 S1 O2 -47.76(11) . .
Li1 O1 S1 O3 -42.47(17) 2_656 .
Pd1 O1 S1 O3 -177.35(8) . .
Li1 O1 S1 C1 -156.14(15) 2_656 .
Pd1 O1 S1 C1 68.98(9) . .
C6 C1 S1 O2 -116.61(15) . .
C2 C1 S1 O2 61.43(16) . .
C6 C1 S1 O3 7.18(17) . .
C2 C1 S1 O3 -174.78(14) . .
C6 C1 S1 O1 122.90(15) . .
C2 C1 S1 O1 -59.06(16) . .
C19 C14 P1 C7 14.25(18) . .
C15 C14 P1 C7 -169.44(14) . .
C19 C14 P1 C2 123.20(16) . .
C15 C14 P1 C2 -60.49(16) . .
C19 C14 P1 Pd1 -113.22(15) . .
C15 C14 P1 Pd1 63.09(16) . .
C8 C7 P1 C14 86.74(15) . .
C12 C7 P1 C14 -94.19(15) . .
C8 C7 P1 C2 -22.44(16) . .
C12 C7 P1 C2 156.63(14) . .
C8 C7 P1 Pd1 -144.54(12) . .
C12 C7 P1 Pd1 34.53(16) . .
C3 C2 P1 C14 -15.58(16) . .
C1 C2 P1 C14 163.68(15) . .
C3 C2 P1 C7 94.04(15) . .
C1 C2 P1 C7 -86.70(16) . .
C3 C2 P1 Pd1 -142.14(13) . .
C1 C2 P1 Pd1 37.12(16) . .
S1 O1 Pd1 C21 -180(31) . .
Li1 O1 Pd1 C21 36.0(10) 2_656 .
S1 O1 Pd1 P1 -29.81(8) . .
Li1 O1 Pd1 P1 -174.08(11) 2_656 .
S1 O1 Pd1 Cl1 149.24(8) . .
Li1 O1 Pd1 Cl1 4.97(11) 2_656 .
S1 O1 Pd1 Li1 144.28(16) . 2_656
C14 P1 Pd1 C21 36.15(9) . .
C7 P1 Pd1 C21 -86.50(9) . .
C2 P1 Pd1 C21 155.77(9) . .
C14 P1 Pd1 O1 -141.82(7) . .
C7 P1 Pd1 O1 95.54(7) . .
C2 P1 Pd1 O1 -22.20(7) . .
C14 P1 Pd1 Cl1 -175(14) . .
C7 P1 Pd1 Cl1 61.9(6) . .
C2 P1 Pd1 Cl1 -55.8(6) . .
C14 P1 Pd1 Li1 -146.51(10) . 2_656
C7 P1 Pd1 Li1 90.85(10) . 2_656
C2 P1 Pd1 Li1 -26.89(10) . 2_656
Li1 Cl1 Pd1 C21 178.06(11) 2_656 .
Li1 Cl1 Pd1 O1 -4.03(9) 2_656 .
Li1 Cl1 Pd1 P1 29.7(6) 2_656 .
