#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/31/2223122.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2223122
loop_
_publ_author_name
'Orysyk, Svitlana'
'Bon, Volodimir'
'Pekhnyo, Vasily'
_publ_section_title
cis-Bis[1-allyl-3-(2-pyridyl-κN)thioureato-κS]palladium(II)
_journal_coeditor_code           IM2129
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1059
_journal_paper_doi               10.1107/S1600536809029262
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pd (C9 H10 N3 S1)2]'
_chemical_formula_moiety         'C18 H20 N6 Pd S2'
_chemical_formula_sum            'C18 H20 N6 Pd S2'
_chemical_formula_weight         490.96
_chemical_melting_point          343
_chemical_name_systematic
;
cis-Bis[1-allyl-3-(2-pyridyl-κN)thioureato-
κS]palladium(II)
;
_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                 113.624(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8976(6)
_cell_length_b                   8.9730(5)
_cell_length_c                   21.7980(10)
_cell_measurement_reflns_used    8451
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.95
_cell_volume                     1952.87(18)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17417
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.9412
_exptl_absorpt_correction_T_min  0.5833
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.368
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4010
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0221
_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)+(0.02P)²+1.8761P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                3522
_reflns_number_total             4010
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            im2129.cif
_cod_data_source_block           I
_cod_original_cell_volume        1952.9(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2223122
_cod_database_fobs_code          2223122
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.504182(15) 0.273165(18) 0.331038(7) 0.02144(6) Uani d . 1 . .
S S1 0.48920(6) 0.26120(8) 0.43136(3) 0.03554(15) Uani d . 1 . .
S S2 0.72854(5) 0.24180(7) 0.38621(3) 0.02877(13) Uani d . 1 . .
N N1 0.30161(17) 0.3217(2) 0.28592(8) 0.0226(4) Uani d . 1 . .
N N2 0.22927(17) 0.1688(2) 0.35666(9) 0.0246(4) Uani d . 1 . .
N N3 0.3409(2) 0.0682(3) 0.45961(10) 0.0356(5) Uani d . 1 B .
N N4 0.52967(17) 0.26693(19) 0.24180(8) 0.0216(4) Uani d . 1 . .
N N5 0.73705(17) 0.4037(2) 0.27993(8) 0.0238(4) Uani d . 1 . .
N N6 0.88430(19) 0.4612(2) 0.38499(10) 0.0330(5) Uani d . 1 D .
C C1 0.2066(2) 0.2704(2) 0.30613(10) 0.0231(4) Uani d . 1 . .
C C2 0.0738(2) 0.3203(3) 0.27361(11) 0.0282(5) Uani d . 1 . .
H H2A 0.0067 0.2803 0.2862 0.034 Uiso calc R 1 . .
C C3 0.0396(2) 0.4252(3) 0.22420(11) 0.0303(5) Uani d . 1 . .
H H3A -0.0500 0.4600 0.2033 0.036 Uiso calc R 1 . .
C C4 0.1382(2) 0.4802(3) 0.20512(11) 0.0299(5) Uani d . 1 . .
H H4A 0.1177 0.5536 0.1710 0.036 Uiso calc R 1 . .
C C5 0.2656(2) 0.4259(2) 0.23664(11) 0.0268(5) Uani d . 1 . .
H H5A 0.3327 0.4633 0.2233 0.032 Uiso calc R 1 . .
C C6 0.3393(2) 0.1622(3) 0.41056(10) 0.0262(5) Uani d . 1 . .
C C7 0.2192(3) 0.0080(3) 0.46317(13) 0.0396(6) Uani d . 1 . .
H H7A 0.2445 -0.0645 0.5005 0.048 Uiso calc R 1 A 1
H H7B 0.1673 -0.0461 0.4211 0.048 Uiso calc R 1 A 1
C C8A 0.1310(4) 0.1276(5) 0.4737(2) 0.0501(10) Uani d PD 0.711(5) B 1
H H8AA 0.0885 0.1963 0.4383 0.060 Uiso calc PR 0.711(5) B 1
C C9A 0.1099(12) 0.1423(10) 0.5274(5) 0.0819(19) Uani d PD 0.711(5) B 1
H H9AA 0.1507 0.0755 0.5638 0.098 Uiso calc PR 0.711(5) B 1
H H9AB 0.0534 0.2198 0.5307 0.098 Uiso calc PR 0.711(5) B 1
C C8B 0.1993(11) 0.0863(13) 0.5186(6) 0.0501(10) Uani d PD 0.289(5) B 2
H H8BA 0.2630 0.0696 0.5630 0.060 Uiso calc PR 0.289(5) B 2
C C9B 0.103(3) 0.173(3) 0.5105(16) 0.0819(19) Uani d PD 0.289(5) B 2
H H9BA 0.0377 0.1924 0.4668 0.098 Uiso calc PR 0.289(5) B 2
H H9BB 0.0962 0.2199 0.5481 0.098 Uiso calc PR 0.289(5) B 2
C C10 0.6369(2) 0.3219(2) 0.23255(10) 0.0230(4) Uani d . 1 . .
C C11 0.6465(2) 0.3015(3) 0.17078(11) 0.0332(5) Uani d . 1 . .
H H11A 0.7189 0.3452 0.1635 0.040 Uiso calc R 1 . .
C C12 0.5531(3) 0.2197(3) 0.12094(12) 0.0377(6) Uani d . 1 . .
H H12A 0.5613 0.2041 0.0797 0.045 Uiso calc R 1 . .
C C13 0.4457(2) 0.1597(3) 0.13180(11) 0.0350(5) Uani d . 1 . .
H H13A 0.3798 0.1013 0.0984 0.042 Uiso calc R 1 . .
C C14 0.4373(2) 0.1868(3) 0.19154(11) 0.0289(5) Uani d . 1 . .
H H14A 0.3628 0.1476 0.1984 0.035 Uiso calc R 1 . .
C C15 0.7807(2) 0.3775(2) 0.34392(10) 0.0240(4) Uani d . 1 . .
C C16 0.9495(2) 0.5766(3) 0.36190(13) 0.0380(6) Uani d D 1 . .
H H16A 0.9016 0.6715 0.3598 0.046 Uiso calc R 1 C 1
H H16B 0.9375 0.5515 0.3156 0.046 Uiso calc R 1 C 1
C C17A 1.0931(6) 0.6027(8) 0.4014(4) 0.0486(15) Uani d P 0.700(9) D 1
H H17A 1.1296 0.6914 0.3918 0.058 Uiso calc PR 0.700(9) D 1
C C18A 1.1731(5) 0.5195(7) 0.4466(3) 0.0540(13) Uani d P 0.700(9) D 1
H H18A 1.1419 0.4294 0.4581 0.065 Uiso calc PR 0.700(9) D 1
H H18B 1.2645 0.5473 0.4691 0.065 Uiso calc PR 0.700(9) D 1
C C17B 1.0811(14) 0.6032(17) 0.4263(6) 0.037(3) Uani d PD 0.300(9) D 2
H H17B 1.0745 0.6469 0.4645 0.044 Uiso calc PR 0.300(9) D 2
C C18B 1.2000(13) 0.5671(16) 0.4290(7) 0.0540(13) Uani d P 0.300(9) D 2
H H18C 1.2085 0.5233 0.3912 0.065 Uiso calc PR 0.300(9) D 2
H H18D 1.2775 0.5847 0.4687 0.065 Uiso calc PR 0.300(9) D 2
H H6N 0.904(2) 0.452(3) 0.4237(13) 0.027(7) Uiso d . 1 . .
H H3N 0.404(3) 0.072(3) 0.4936(13) 0.038(8) Uiso d . 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Pd1 N4 . . 94.48(7) ?
N1 Pd1 S1 . . 89.59(5) ?
N4 Pd1 S1 . . 174.63(5) ?
N1 Pd1 S2 . . 174.24(5) ?
N4 Pd1 S2 . . 88.44(5) ?
S1 Pd1 S2 . . 87.80(2) ?
C6 S1 Pd1 . . 101.25(7) ?
C15 S2 Pd1 . . 98.20(7) ?
C1 N1 C5 . . 118.27(18) ?
C1 N1 Pd1 . . 125.52(14) ?
C5 N1 Pd1 . . 115.82(14) ?
C6 N2 C1 . . 123.98(19) ?
C6 N3 C7 . . 123.1(2) ?
C6 N3 H3N . . 116(2) ?
C7 N3 H3N . . 116(2) ?
C10 N4 C14 . . 118.47(18) ?
C10 N4 Pd1 . . 125.27(14) ?
C14 N4 Pd1 . . 115.87(14) ?
C15 N5 C10 . . 123.16(18) ?
C15 N6 C16 . . 124.1(2) ?
C15 N6 H6N . . 116.6(18) ?
C16 N6 H6N . . 118.9(18) ?
N1 C1 N2 . . 124.70(19) ?
N1 C1 C2 . . 119.55(19) ?
N2 C1 C2 . . 115.73(19) ?
C3 C2 C1 . . 121.2(2) ?
C3 C2 H2A . . 119.4 ?
C1 C2 H2A . . 119.4 ?
C2 C3 C4 . . 118.8(2) ?
C2 C3 H3A . . 120.6 ?
C4 C3 H3A . . 120.6 ?
C5 C4 C3 . . 118.3(2) ?
C5 C4 H4A . . 120.8 ?
C3 C4 H4A . . 120.8 ?
N1 C5 C4 . . 123.8(2) ?
N1 C5 H5A . . 118.1 ?
C4 C5 H5A . . 118.1 ?
N2 C6 N3 . . 117.1(2) ?
N2 C6 S1 . . 129.58(17) ?
N3 C6 S1 . . 113.29(17) ?
N3 C7 C8B . . 107.4(4) ?
N3 C7 C8A . . 112.9(2) ?
N3 C7 H7A . . 109.0 ?
C8B C7 H7A . . 74.1 ?
C8A C7 H7A . . 109.0 ?
N3 C7 H7B . . 109.0 ?
C8B C7 H7B . . 140.3 ?
C8A C7 H7B . . 109.0 ?
H7A C7 H7B . . 107.8 ?
C9A C8A C7 . . 124.3(5) ?
C9A C8A H8AA . . 117.8 ?
C7 C8A H8AA . . 117.8 ?
C8A C9A H9AA . . 120.0 ?
C8A C9A H9AB . . 120.0 ?
H9AA C9A H9AB . . 120.0 ?
C9B C8B C7 . . 124.2(18) ?
C9B C8B H8BA . . 117.9 ?
C7 C8B H8BA . . 117.9 ?
C8B C9B H9BA . . 120.0 ?
C8B C9B H9BB . . 120.0 ?
H9BA C9B H9BB . . 120.0 ?
N4 C10 N5 . . 123.65(18) ?
N4 C10 C11 . . 119.71(19) ?
N5 C10 C11 . . 116.58(19) ?
C12 C11 C10 . . 120.9(2) ?
C12 C11 H11A . . 119.5 ?
C10 C11 H11A . . 119.5 ?
C11 C12 C13 . . 118.8(2) ?
C11 C12 H12A . . 120.6 ?
C13 C12 H12A . . 120.6 ?
C14 C13 C12 . . 118.5(2) ?
C14 C13 H13A . . 120.8 ?
C12 C13 H13A . . 120.8 ?
N4 C14 C13 . . 123.6(2) ?
N4 C14 H14A . . 118.2 ?
C13 C14 H14A . . 118.2 ?
N5 C15 N6 . . 117.3(2) ?
N5 C15 S2 . . 129.22(17) ?
N6 C15 S2 . . 113.46(16) ?
N6 C16 C17A . . 117.6(3) ?
N6 C16 C17B . . 101.3(5) ?
N6 C16 H16A . . 107.9 ?
C17A C16 H16A . . 107.9 ?
C17B C16 H16A . . 100.7 ?
N6 C16 H16B . . 107.9 ?
C17A C16 H16B . . 107.9 ?
C17B C16 H16B . . 130.2 ?
H16A C16 H16B . . 107.2 ?
C18A C17A C16 . . 127.0(6) ?
C18A C17A H17A . . 116.5 ?
C16 C17A H17A . . 116.5 ?
C17A C18A H18A . . 120.0 ?
C17A C18A H18B . . 120.0 ?
H18A C18A H18B . . 120.0 ?
C18B C17B C16 . . 122.2(12) ?
C18B C17B H17B . . 118.9 ?
C16 C17B H17B . . 118.9 ?
C17B C18B H18C . . 120.0 ?
C17B C18B H18D . . 120.0 ?
H18C C18B H18D . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 N1 . 2.0713(17) ?
Pd1 N4 . 2.0730(17) ?
Pd1 S1 . 2.2598(6) ?
Pd1 S2 . 2.2686(6) ?
S1 C6 . 1.752(2) ?
S2 C15 . 1.753(2) ?
N1 C1 . 1.358(3) ?
N1 C5 . 1.358(3) ?
N2 C6 . 1.301(3) ?
N2 C1 . 1.374(3) ?
N3 C6 . 1.357(3) ?
N3 C7 . 1.463(3) ?
N3 H3N . 0.78(3) ?
N4 C10 . 1.355(3) ?
N4 C14 . 1.359(3) ?
N5 C15 . 1.302(3) ?
N5 C10 . 1.376(3) ?
N6 C15 . 1.353(3) ?
N6 C16 . 1.455(3) ?
N6 H6N . 0.79(2) ?
C1 C2 . 1.405(3) ?
C2 C3 . 1.365(3) ?
C2 H2A . 0.9500 ?
C3 C4 . 1.389(3) ?
C3 H3A . 0.9500 ?
C4 C5 . 1.368(3) ?
C4 H4A . 0.9500 ?
C5 H5A . 0.9500 ?
C7 C8B . 1.487(11) ?
C7 C8A . 1.519(5) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C8A C9A . 1.288(7) ?
C8A H8AA . 0.9500 ?
C9A H9AA . 0.9500 ?
C9A H9AB . 0.9500 ?
C8B C9B . 1.261(17) ?
C8B H8BA . 0.9500 ?
C9B H9BA . 0.9500 ?
C9B H9BB . 0.9500 ?
C10 C11 . 1.404(3) ?
C11 C12 . 1.367(3) ?
C11 H11A . 0.9500 ?
C12 C13 . 1.392(4) ?
C12 H12A . 0.9500 ?
C13 C14 . 1.363(3) ?
C13 H13A . 0.9500 ?
C14 H14A . 0.9500 ?
C16 C17A . 1.471(7) ?
C16 C17B . 1.572(13) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C17A C18A . 1.265(9) ?
C17A H17A . 0.9500 ?
C18A H18A . 0.9500 ?
C18A H18B . 0.9500 ?
C17B C18B . 1.31(2) ?
C17B H17B . 0.9500 ?
C18B H18C . 0.9500 ?
C18B H18D . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C3 H3A N2 2 0.95 2.64 3.511(3) 152.2
C14 H14A N5 2_645 0.95 2.57 3.376(3) 142.7
N3 H3N N3 3_656 0.78(3) 2.84(3) 3.425(4) 133(2)
C4 H4A S2 2_655 0.95 2.98 3.728(2) 136.4
C12 H12A S1 4_565 0.95 3.02 3.910(2) 156.3
C18B H18D S1 3_766 0.95 2.95 3.850(10) 160.2
C7 H7A S2 3_656 0.99 2.85 3.825(3) 167.3
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Pd1 S1 C6 . . . . 42.71(9) ?
S2 Pd1 S1 C6 . . . . -142.43(8) ?
N4 Pd1 S2 C15 . . . . 47.84(9) ?
S1 Pd1 S2 C15 . . . . -136.00(7) ?
N4 Pd1 N1 C1 . . . . 143.98(17) ?
S1 Pd1 N1 C1 . . . . -32.53(17) ?
N4 Pd1 N1 C5 . . . . -43.35(16) ?
S1 Pd1 N1 C5 . . . . 140.15(15) ?
N1 Pd1 N4 C10 . . . . 140.26(17) ?
S2 Pd1 N4 C10 . . . . -34.78(16) ?
N1 Pd1 N4 C14 . . . . -47.14(16) ?
S2 Pd1 N4 C14 . . . . 137.82(15) ?
C5 N1 C1 N2 . . . . -177.9(2) ?
Pd1 N1 C1 N2 . . . . -5.4(3) ?
C5 N1 C1 C2 . . . . 3.2(3) ?
Pd1 N1 C1 C2 . . . . 175.69(15) ?
C6 N2 C1 N1 . . . . 35.3(3) ?
C6 N2 C1 C2 . . . . -145.8(2) ?
N1 C1 C2 C3 . . . . -3.3(3) ?
N2 C1 C2 C3 . . . . 177.6(2) ?
C1 C2 C3 C4 . . . . 1.5(3) ?
C2 C3 C4 C5 . . . . 0.3(3) ?
C1 N1 C5 C4 . . . . -1.4(3) ?
Pd1 N1 C5 C4 . . . . -174.65(18) ?
C3 C4 C5 N1 . . . . -0.4(4) ?
C1 N2 C6 N3 . . . . 172.1(2) ?
C1 N2 C6 S1 . . . . -6.3(3) ?
C7 N3 C6 N2 . . . . -17.4(3) ?
C7 N3 C6 S1 . . . . 161.29(19) ?
Pd1 S1 C6 N2 . . . . -37.2(2) ?
Pd1 S1 C6 N3 . . . . 144.37(16) ?
C6 N3 C7 C8B . . . . -106.2(5) ?
C6 N3 C7 C8A . . . . -63.7(3) ?
N3 C7 C8A C9A . . . . -112.2(8) ?
C8B C7 C8A C9A . . . . -22.0(10) ?
N3 C7 C8B C9B . . . . 113.5(19) ?
C8A C7 C8B C9B . . . . 8.4(18) ?
C14 N4 C10 N5 . . . . -179.6(2) ?
Pd1 N4 C10 N5 . . . . -7.2(3) ?
C14 N4 C10 C11 . . . . 3.2(3) ?
Pd1 N4 C10 C11 . . . . 175.61(16) ?
C15 N5 C10 N4 . . . . 36.3(3) ?
C15 N5 C10 C11 . . . . -146.4(2) ?
N4 C10 C11 C12 . . . . -3.8(4) ?
N5 C10 C11 C12 . . . . 178.9(2) ?
C10 C11 C12 C13 . . . . 1.7(4) ?
C11 C12 C13 C14 . . . . 0.8(4) ?
C10 N4 C14 C13 . . . . -0.7(3) ?
Pd1 N4 C14 C13 . . . . -173.80(19) ?
C12 C13 C14 N4 . . . . -1.4(4) ?
C10 N5 C15 N6 . . . . 176.7(2) ?
C10 N5 C15 S2 . . . . -0.6(3) ?
C16 N6 C15 N5 . . . . -0.5(3) ?
C16 N6 C15 S2 . . . . 177.21(18) ?
Pd1 S2 C15 N5 . . . . -45.9(2) ?
Pd1 S2 C15 N6 . . . . 136.77(15) ?
C15 N6 C16 C17A . . . . -148.5(4) ?
C15 N6 C16 C17B . . . . -165.4(6) ?
N6 C16 C17A C18A . . . . 13.5(10) ?
C17B C16 C17A C18A . . . . 61.2(18) ?
N6 C16 C17B C18B . . . . 112.2(14) ?
C17A C16 C17B C18B . . . . -25.9(13) ?
