#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/26/8102604.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_8102604
loop_
_publ_author_name
'Yan Ling Wang'
'Jing Jing Zheng'
'Li Ma'
'Ye Fei Wang'
'Gui Mei Yuan'
'Jie Ni'
_publ_section_title
;
 Crystal structure of bis(N-cetylpyridinium)
 bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(II),
 [C21H38N]2[Pd(C3S5)2] 131
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              131
_journal_volume                  225
_journal_year                    2010
_chemical_formula_moiety         '2(C21 H38 N +), C6 Pd S10 2-'
_chemical_formula_sum            'C48 H76 N2 Pd S10'
_chemical_formula_weight         1108.11
_chemical_name_systematic
;
bis(N-cetylpyridinium) bis(2-thioxo-1,3-dithiole-
4,5-dithiolato)palladium(II)
;
_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                99.101(4)
_cell_angle_beta                 92.824(4)
_cell_angle_gamma                108.797(4)
_cell_formula_units_Z            1
_cell_length_a                   7.903(2)
_cell_length_b                   10.081(3)
_cell_length_c                   19.102(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1414.4(7)
_computing_cell_refinement       'APEX2 Software Suite'
_computing_data_collection       'APEX2 Software Suite (Bruker, 2005)'
_computing_data_reduction        'APEX2 Software Suite'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_device_type
'Bruker APEX2 CCD area-detector diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8588
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.09
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.9856
_exptl_absorpt_correction_T_min  0.7590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 Software Suite (Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.873
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         6031
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.1074
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3067
_refine_ls_wR_factor_ref         0.3268
_reflns_number_gt                4754
_reflns_number_total             6031
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            1267-2833.cff
_cod_data_source_block           60117em
_cod_original_cell_volume        1414.3(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102604
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0725(15) 0.9173(11) 0.8344(5) 0.077(3) Uani 1 1 d . . .
C2 C 0.0109(11) 0.7677(8) 0.9350(4) 0.0515(17) Uani 1 1 d . . .
C3 C 0.1089(11) 0.7120(8) 0.8932(4) 0.0493(16) Uani 1 1 d . . .
C6 C 0.4550(18) 0.9172(15) 0.0936(7) 0.101(4) Uani 1 1 d . . .
H6 H 0.4827 1.0047 0.0790 0.121 Uiso 1 1 calc R . .
C7 C 0.3277(17) 0.8799(14) 0.1411(7) 0.094(4) Uani 1 1 d . . .
H7 H 0.2618 0.9383 0.1569 0.113 Uiso 1 1 calc R . .
C8 C 0.3044(13) 0.7572(13) 0.1628(6) 0.083(3) Uani 1 1 d . . .
H8 H 0.2279 0.7331 0.1977 0.099 Uiso 1 1 calc R . .
C4 C 0.5035(15) 0.7012(14) 0.0908(7) 0.086(3) Uani 1 1 d . . .
H4 H 0.5643 0.6402 0.0729 0.103 Uiso 1 1 calc R . .
C5 C 0.5360(17) 0.8250(16) 0.0698(8) 0.102(4) Uani 1 1 d . . .
H5 H 0.6188 0.8484 0.0370 0.122 Uiso 1 1 calc R . .
C9 C 0.3516(14) 0.5227(11) 0.1570(6) 0.083(3) Uani 1 1 d . . .
H9A H 0.2272 0.4885 0.1668 0.099 Uiso 1 1 calc R . .
H9B H 0.3671 0.4556 0.1177 0.099 Uiso 1 1 calc R . .
C10 C 0.4665(11) 0.5266(10) 0.2195(5) 0.065(2) Uani 1 1 d . . .
H10A H 0.4520 0.5927 0.2596 0.078 Uiso 1 1 calc R . .
H10B H 0.5915 0.5580 0.2102 0.078 Uiso 1 1 calc R . .
C11 C 0.4120(13) 0.3740(10) 0.2367(6) 0.074(3) Uani 1 1 d . . .
H11A H 0.2911 0.3493 0.2509 0.089 Uiso 1 1 calc R . .
H11B H 0.4087 0.3078 0.1935 0.089 Uiso 1 1 calc R . .
C12 C 0.5354(12) 0.3527(10) 0.2954(5) 0.068(2) Uani 1 1 d . . .
H12A H 0.6576 0.3828 0.2828 0.081 Uiso 1 1 calc R . .
H12B H 0.5328 0.4145 0.3395 0.081 Uiso 1 1 calc R . .
C13 C 0.4873(12) 0.2014(10) 0.3087(5) 0.066(2) Uani 1 1 d . . .
H13A H 0.3678 0.1733 0.3242 0.079 Uiso 1 1 calc R . .
H13B H 0.4827 0.1388 0.2640 0.079 Uiso 1 1 calc R . .
C14 C 0.6145(11) 0.1788(10) 0.3632(5) 0.066(2) Uani 1 1 d . . .
H14A H 0.7346 0.2081 0.3484 0.079 Uiso 1 1 calc R . .
H14B H 0.6170 0.2390 0.4085 0.079 Uiso 1 1 calc R . .
C15 C 0.5644(12) 0.0284(9) 0.3733(5) 0.069(2) Uani 1 1 d . . .
H15A H 0.5584 -0.0320 0.3278 0.083 Uiso 1 1 calc R . .
H15B H 0.4455 0.0000 0.3894 0.083 Uiso 1 1 calc R . .
C16 C 0.6945(11) 0.0040(9) 0.4265(5) 0.062(2) Uani 1 1 d . . .
H16A H 0.7042 0.0679 0.4714 0.074 Uiso 1 1 calc R . .
H16B H 0.8122 0.0293 0.4094 0.074 Uiso 1 1 calc R . .
C17 C 0.6435(12) -0.1481(10) 0.4407(6) 0.069(2) Uani 1 1 d . . .
H17A H 0.5261 -0.1732 0.4580 0.083 Uiso 1 1 calc R . .
H17B H 0.6332 -0.2121 0.3958 0.083 Uiso 1 1 calc R . .
C18 C 0.7743(11) -0.1731(9) 0.4937(5) 0.064(2) Uani 1 1 d . . .
H18A H 0.8901 -0.1529 0.4751 0.077 Uiso 1 1 calc R . .
H18B H 0.7898 -0.1054 0.5377 0.077 Uiso 1 1 calc R . .
C19 C 0.7205(12) -0.3200(10) 0.5109(6) 0.070(2) Uani 1 1 d . . .
H19A H 0.6996 -0.3880 0.4667 0.084 Uiso 1 1 calc R . .
H19B H 0.6073 -0.3385 0.5316 0.084 Uiso 1 1 calc R . .
C20 C 0.8543(12) -0.3470(10) 0.5613(5) 0.066(2) Uani 1 1 d . . .
H20A H 0.9696 -0.3233 0.5421 0.080 Uiso 1 1 calc R . .
H20B H 0.8695 -0.2835 0.6067 0.080 Uiso 1 1 calc R . .
C21 C 0.8021(12) -0.4973(10) 0.5740(5) 0.070(2) Uani 1 1 d . . .
H21A H 0.6880 -0.5199 0.5940 0.084 Uiso 1 1 calc R . .
H21B H 0.7839 -0.5606 0.5283 0.084 Uiso 1 1 calc R . .
C22 C 0.9343(12) -0.5275(10) 0.6223(5) 0.067(2) Uani 1 1 d . . .
H22A H 0.9509 -0.4661 0.6685 0.080 Uiso 1 1 calc R . .
H22B H 1.0492 -0.5038 0.6029 0.080 Uiso 1 1 calc R . .
C23 C 0.8790(14) -0.6801(11) 0.6328(6) 0.079(3) Uani 1 1 d . . .
H23A H 0.7651 -0.7028 0.6530 0.095 Uiso 1 1 calc R . .
H23B H 0.8594 -0.7414 0.5864 0.095 Uiso 1 1 calc R . .
C24 C 1.0068(16) -0.7134(14) 0.6783(7) 0.103(4) Uani 1 1 d . . .
H24A H 1.0969 -0.7332 0.6507 0.154 Uiso 1 1 calc R . .
H24B H 0.9450 -0.7953 0.6982 0.154 Uiso 1 1 calc R . .
H24C H 1.0628 -0.6335 0.7162 0.154 Uiso 1 1 calc R . .
N1 N 0.3898(9) 0.6643(8) 0.1354(4) 0.0649(19) Uani 1 1 d . . .
S1 S 0.0838(6) 1.0333(4) 0.78108(19) 0.1133(12) Uani 1 1 d . . .
S2 S 0.1696(4) 0.7857(3) 0.81756(13) 0.0701(6) Uani 1 1 d . . .
S3 S -0.0313(4) 0.9140(2) 0.91064(12) 0.0674(6) Uani 1 1 d . . .
S4 S 0.1587(3) 0.5580(2) 0.90623(11) 0.0551(5) Uani 1 1 d . . .
S5 S -0.0777(3) 0.7031(2) 1.00930(10) 0.0554(5) Uani 1 1 d . . .
Pd1 Pd 0.0000 0.5000 1.0000 0.0421(3) Uani 1 2 d S . .
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'
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
_geom_angle_publ_flag
S1 C1 S3 124.8(6) . . ?
S1 C1 S2 122.1(6) . . ?
S3 C1 S2 113.1(5) . . ?
C3 C2 S3 115.5(6) . . ?
C3 C2 S5 124.8(6) . . ?
S3 C2 S5 119.7(5) . . ?
C2 C3 S2 117.0(6) . . ?
C2 C3 S4 122.7(6) . . ?
S2 C3 S4 119.9(4) . . ?
C5 C6 C7 118.4(12) . . ?
C5 C6 H6 120.8 . . ?
C7 C6 H6 120.8 . . ?
C8 C7 C6 116.9(12) . . ?
C8 C7 H7 121.6 . . ?
C6 C7 H7 121.6 . . ?
C7 C8 N1 122.2(12) . . ?
C7 C8 H8 118.9 . . ?
N1 C8 H8 118.9 . . ?
N1 C4 C5 120.9(11) . . ?
N1 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 122.5(13) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
C10 C9 N1 113.2(8) . . ?
C10 C9 H9A 108.9 . . ?
N1 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
N1 C9 H9B 108.9 . . ?
H9A C9 H9B 107.8 . . ?
C9 C10 C11 108.0(7) . . ?
C9 C10 H10A 110.1 . . ?
C11 C10 H10A 110.1 . . ?
C9 C10 H10B 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
C12 C11 C10 115.5(8) . . ?
C12 C11 H11A 108.4 . . ?
C10 C11 H11A 108.4 . . ?
C12 C11 H11B 108.4 . . ?
C10 C11 H11B 108.4 . . ?
H11A C11 H11B 107.5 . . ?
C13 C12 C11 115.0(8) . . ?
C13 C12 H12A 108.5 . . ?
C11 C12 H12A 108.5 . . ?
C13 C12 H12B 108.5 . . ?
C11 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 C12 115.0(8) . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C12 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C13 113.1(8) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 113.4(7) . . ?
C14 C15 H15A 108.9 . . ?
C16 C15 H15A 108.9 . . ?
C14 C15 H15B 108.9 . . ?
C16 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 C17 115.0(7) . . ?
C15 C16 H16A 108.5 . . ?
C17 C16 H16A 108.5 . . ?
C15 C16 H16B 108.5 . . ?
C17 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
C18 C17 C16 115.1(7) . . ?
C18 C17 H17A 108.5 . . ?
C16 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
C16 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 115.5(7) . . ?
C19 C18 H18A 108.4 . . ?
C17 C18 H18A 108.4 . . ?
C19 C18 H18B 108.4 . . ?
C17 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C18 C19 C20 115.6(7) . . ?
C18 C19 H19A 108.4 . . ?
C20 C19 H19A 108.4 . . ?
C18 C19 H19B 108.4 . . ?
C20 C19 H19B 108.4 . . ?
H19A C19 H19B 107.4 . . ?
C21 C20 C19 114.4(8) . . ?
C21 C20 H20A 108.6 . . ?
C19 C20 H20A 108.6 . . ?
C21 C20 H20B 108.6 . . ?
C19 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
C22 C21 C20 115.5(7) . . ?
C22 C21 H21A 108.4 . . ?
C20 C21 H21A 108.4 . . ?
C22 C21 H21B 108.4 . . ?
C20 C21 H21B 108.4 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 114.0(8) . . ?
C21 C22 H22A 108.8 . . ?
C23 C22 H22A 108.8 . . ?
C21 C22 H22B 108.8 . . ?
C23 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 C22 115.2(9) . . ?
C24 C23 H23A 108.5 . . ?
C22 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C22 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C4 N1 C8 118.9(10) . . ?
C4 N1 C9 120.1(9) . . ?
C8 N1 C9 121.0(10) . . ?
C1 S2 C3 96.3(4) . . ?
C1 S3 C2 97.9(4) . . ?
C3 S4 Pd1 100.7(3) . . ?
C2 S5 Pd1 100.2(3) . . ?
S4 Pd1 S4 180.000(1) 2_567 . ?
S4 Pd1 S5 88.86(7) 2_567 . ?
S4 Pd1 S5 91.14(7) . . ?
S4 Pd1 S5 91.14(7) 2_567 2_567 ?
S4 Pd1 S5 88.86(7) . 2_567 ?
S5 Pd1 S5 180.00(10) . 2_567 ?
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 S1 1.653(9) . ?
C1 S3 1.705(10) . ?
C1 S2 1.731(10) . ?
C2 C3 1.324(11) . ?
C2 S3 1.738(8) . ?
C2 S5 1.739(8) . ?
C3 S2 1.745(8) . ?
C3 S4 1.770(7) . ?
C6 C5 1.327(18) . ?
C6 C7 1.389(18) . ?
C6 H6 0.9300 . ?
C7 C8 1.326(17) . ?
C7 H7 0.9300 . ?
C8 N1 1.376(13) . ?
C8 H8 0.9300 . ?
C4 N1 1.277(14) . ?
C4 C5 1.322(17) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C9 C10 1.451(12) . ?
C9 N1 1.490(12) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.552(12) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.535(12) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.515(12) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.505(12) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.485(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.513(11) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.526(12) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.518(12) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.498(12) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.512(12) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.499(12) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.496(12) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.507(12) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.454(13) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
S4 Pd1 2.281(2) . ?
S5 Pd1 2.3037(19) . ?
Pd1 S4 2.281(2) 2_567 ?
Pd1 S5 2.3037(19) 2_567 ?
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
S3 C2 C3 S2 -3.7(9) . . . . ?
S5 C2 C3 S2 175.2(4) . . . . ?
S3 C2 C3 S4 -177.1(4) . . . . ?
S5 C2 C3 S4 1.8(11) . . . . ?
C5 C6 C7 C8 4.2(18) . . . . ?
C6 C7 C8 N1 -5.5(17) . . . . ?
N1 C4 C5 C6 1(2) . . . . ?
C7 C6 C5 C4 -2(2) . . . . ?
N1 C9 C10 C11 179.4(9) . . . . ?
C9 C10 C11 C12 172.3(9) . . . . ?
C10 C11 C12 C13 -176.5(9) . . . . ?
C11 C12 C13 C14 176.6(8) . . . . ?
C12 C13 C14 C15 -178.7(8) . . . . ?
C13 C14 C15 C16 178.4(8) . . . . ?
C14 C15 C16 C17 177.6(9) . . . . ?
C15 C16 C17 C18 179.7(8) . . . . ?
C16 C17 C18 C19 176.9(9) . . . . ?
C17 C18 C19 C20 177.4(9) . . . . ?
C18 C19 C20 C21 -176.5(9) . . . . ?
C19 C20 C21 C22 178.7(9) . . . . ?
C20 C21 C22 C23 -178.9(9) . . . . ?
C21 C22 C23 C24 178.7(10) . . . . ?
C5 C4 N1 C8 -1.7(17) . . . . ?
C5 C4 N1 C9 178.4(12) . . . . ?
C7 C8 N1 C4 4.4(15) . . . . ?
C7 C8 N1 C9 -175.7(9) . . . . ?
C10 C9 N1 C4 90.7(12) . . . . ?
C10 C9 N1 C8 -89.1(11) . . . . ?
S1 C1 S2 C3 179.0(7) . . . . ?
S3 C1 S2 C3 -0.5(7) . . . . ?
C2 C3 S2 C1 2.6(8) . . . . ?
S4 C3 S2 C1 176.2(6) . . . . ?
S1 C1 S3 C2 179.5(8) . . . . ?
S2 C1 S3 C2 -1.0(7) . . . . ?
C3 C2 S3 C1 2.9(8) . . . . ?
S5 C2 S3 C1 -176.1(6) . . . . ?
C2 C3 S4 Pd1 3.3(8) . . . . ?
S2 C3 S4 Pd1 -170.0(4) . . . . ?
C3 C2 S5 Pd1 -5.7(8) . . . . ?
S3 C2 S5 Pd1 173.2(4) . . . . ?
C3 S4 Pd1 S4 131(100) . . . 2_567 ?
C3 S4 Pd1 S5 -5.0(3) . . . . ?
C3 S4 Pd1 S5 175.0(3) . . . 2_567 ?
C2 S5 Pd1 S4 -174.4(3) . . . 2_567 ?
C2 S5 Pd1 S4 5.6(3) . . . . ?
C2 S5 Pd1 S5 89(100) . . . 2_567 ?
