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#$Date: 2022-12-13 09:48:54 +0200 (Tue, 13 Dec 2022) $
#$Revision: 279853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/63/8106378.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_8106378
loop_
_publ_author_name
'Yang, Jian'
_publ_section_title
;
 The crystal structure of
 dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-\kN)palladium(IV),
 C25H33Cl2N3OPd
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1005
_journal_page_last               1006
_journal_paper_doi               10.1515/ncrs-2018-0131
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C25 H33 Cl2 N3 O Pd'
_chemical_formula_weight         568.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                93.043(3)
_cell_angle_beta                 94.892(3)
_cell_angle_gamma                114.364(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2439(9)
_cell_length_b                   11.4323(9)
_cell_length_c                   11.9773(11)
_cell_measurement_reflns_used    9911
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.112
_cell_measurement_theta_min      4.958
_cell_volume                     1267.07(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22323
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.252
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0056(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4949
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0212
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0134P)²+0.7614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0528
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4676
_reflns_number_total             4949
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0131_suppl.cif
_cod_data_source_block           mo
_cod_database_code               8106378
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.845
_shelx_estimated_absorpt_t_max   0.910
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.57010(2) 0.35190(2) 0.21433(2) 0.01767(7) Uani 1 1 d . . . . .
H3 H 0.391(2) 0.3674(19) 0.0794(16) 0.025(6) Uiso 1 1 d D . . . .
Cl1 Cl 0.66752(5) 0.44321(5) 0.05680(4) 0.03315(12) Uani 1 1 d . . . . .
Cl2 Cl 0.46244(5) 0.25397(5) 0.36544(4) 0.02939(11) Uani 1 1 d . . . . .
O1 O 0.06454(14) 0.17760(14) 0.06020(13) 0.0351(3) Uani 1 1 d . . . . .
N1 N 0.80176(15) 0.27759(14) 0.30940(12) 0.0191(3) Uani 1 1 d . . . . .
N2 N 0.88048(15) 0.48325(14) 0.31415(13) 0.0193(3) Uani 1 1 d . . . . .
N3 N 0.36886(16) 0.31930(16) 0.12718(14) 0.0233(3) Uani 1 1 d D . . . .
C1 C 0.76030(18) 0.37259(17) 0.28440(14) 0.0186(4) Uani 1 1 d . . . . .
C2 C 0.94546(19) 0.32908(18) 0.35467(16) 0.0228(4) Uani 1 1 d . . . . .
H2 H 0.9988 0.2821 0.3788 0.027 Uiso 1 1 calc R U . . .
C3 C 0.99450(19) 0.45704(18) 0.35784(16) 0.0227(4) Uani 1 1 d . . . . .
H3A H 1.0894 0.5186 0.3848 0.027 Uiso 1 1 calc R U . . .
C4 C 0.89782(19) 0.61480(17) 0.30710(15) 0.0199(4) Uani 1 1 d . . . . .
C5 C 0.99278(19) 0.68826(18) 0.23455(16) 0.0232(4) Uani 1 1 d . . . . .
C6 C 1.0232(2) 0.81870(19) 0.23823(17) 0.0279(4) Uani 1 1 d . . . . .
H6 H 1.0879 0.8708 0.1900 0.034 Uiso 1 1 calc R U . . .
C7 C 0.9616(2) 0.87509(18) 0.31049(18) 0.0293(4) Uani 1 1 d . . . . .
C8 C 0.8652(2) 0.79791(19) 0.37862(17) 0.0276(4) Uani 1 1 d . . . . .
H8 H 0.8205 0.8356 0.4263 0.033 Uiso 1 1 calc R U . . .
C9 C 0.8313(2) 0.66617(18) 0.37961(16) 0.0232(4) Uani 1 1 d . . . . .
C10 C 0.7273(2) 0.5875(2) 0.45655(17) 0.0287(4) Uani 1 1 d . . . . .
H10A H 0.6318 0.5400 0.4139 0.043 Uiso 1 1 calc R U . . .
H10B H 0.7211 0.6449 0.5176 0.043 Uiso 1 1 calc R U . . .
H10C H 0.7612 0.5264 0.4883 0.043 Uiso 1 1 calc R U . . .
C11 C 1.0604(2) 0.6301(2) 0.15393(17) 0.0298(4) Uani 1 1 d . . . . .
H11A H 1.1345 0.6110 0.1961 0.045 Uiso 1 1 calc R U . . .
H11B H 1.1047 0.6913 0.0993 0.045 Uiso 1 1 calc R U . . .
H11C H 0.9860 0.5502 0.1141 0.045 Uiso 1 1 calc R U . . .
C12 C 1.0001(3) 1.0179(2) 0.3156(2) 0.0434(6) Uani 1 1 d . . . . .
H12A H 1.1032 1.0663 0.3414 0.065 Uiso 1 1 calc R U . . .
H12B H 0.9435 1.0397 0.3681 0.065 Uiso 1 1 calc R U . . .
H12C H 0.9788 1.0404 0.2405 0.065 Uiso 1 1 calc R U . . .
C13 C 0.71221(18) 0.14014(17) 0.30020(15) 0.0192(4) Uani 1 1 d . . . . .
C14 C 0.66583(19) 0.06977(18) 0.19467(16) 0.0221(4) Uani 1 1 d . . . . .
C15 C 0.5868(2) -0.06326(19) 0.19288(17) 0.0274(4) Uani 1 1 d . . . . .
H15 H 0.5506 -0.1133 0.1221 0.033 Uiso 1 1 calc R U . . .
C16 C 0.5592(2) -0.12519(18) 0.28998(18) 0.0279(4) Uani 1 1 d . . . . .
C17 C 0.6082(2) -0.05154(19) 0.39288(17) 0.0271(4) Uani 1 1 d . . . . .
H17 H 0.5896 -0.0931 0.4601 0.033 Uiso 1 1 calc R U . . .
C18 C 0.68414(19) 0.08195(18) 0.40033(16) 0.0222(4) Uani 1 1 d . . . . .
C19 C 0.7339(2) 0.1593(2) 0.51387(16) 0.0297(4) Uani 1 1 d . . . . .
H19A H 0.8390 0.1916 0.5295 0.045 Uiso 1 1 calc R U . . .
H19B H 0.6881 0.1042 0.5720 0.045 Uiso 1 1 calc R U . . .
H19C H 0.7070 0.2322 0.5138 0.045 Uiso 1 1 calc R U . . .
C20 C 0.7036(2) 0.1306(2) 0.08676(16) 0.0292(4) Uani 1 1 d . . . . .
H20A H 0.6859 0.2086 0.0874 0.044 Uiso 1 1 calc R U . . .
H20B H 0.6437 0.0694 0.0228 0.044 Uiso 1 1 calc R U . . .
H20C H 0.8056 0.1534 0.0798 0.044 Uiso 1 1 calc R U . . .
C21 C 0.4801(3) -0.2705(2) 0.2832(2) 0.0431(6) Uani 1 1 d . . . . .
H21A H 0.4001 -0.3005 0.2223 0.065 Uiso 1 1 calc R U . . .
H21B H 0.4422 -0.2959 0.3548 0.065 Uiso 1 1 calc R U . . .
H21C H 0.5468 -0.3094 0.2680 0.065 Uiso 1 1 calc R U . . .
C22 C 0.2601(2) 0.34574(18) 0.18372(17) 0.0254(4) Uani 1 1 d . . . . .
H22A H 0.2997 0.4387 0.2102 0.030 Uiso 1 1 calc R U . . .
H22B H 0.2381 0.2963 0.2503 0.030 Uiso 1 1 calc R U . . .
C23 C 0.1221(2) 0.3090(2) 0.10485(18) 0.0302(4) Uani 1 1 d . . . . .
H23A H 0.0498 0.3238 0.1462 0.036 Uiso 1 1 calc R U . . .
H23B H 0.1423 0.3647 0.0422 0.036 Uiso 1 1 calc R U . . .
C24 C 0.1667(2) 0.1541(3) 0.0001(2) 0.0462(6) Uani 1 1 d . . . . .
H24A H 0.1892 0.2088 -0.0633 0.055 Uiso 1 1 calc R U . . .
H24B H 0.1249 0.0627 -0.0315 0.055 Uiso 1 1 calc R U . . .
C25 C 0.3040(2) 0.1838(2) 0.07701(19) 0.0354(5) Uani 1 1 d . . . . .
H25A H 0.2822 0.1255 0.1378 0.043 Uiso 1 1 calc R U . . .
H25B H 0.3740 0.1678 0.0336 0.043 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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'
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
C1 Pd1 N3 174.76(7) . .
C1 Pd1 Cl2 91.03(5) . .
N3 Pd1 Cl2 91.50(5) . .
C1 Pd1 Cl1 91.38(5) . .
N3 Pd1 Cl1 85.96(5) . .
Cl2 Pd1 Cl1 177.051(18) . .
C23 O1 C24 110.26(16) . .
C1 N1 C2 110.83(15) . .
C1 N1 C13 127.40(14) . .
C2 N1 C13 121.63(14) . .
C1 N2 C3 110.80(15) . .
C1 N2 C4 128.29(14) . .
C3 N2 C4 120.90(14) . .
C22 N3 C25 109.19(15) . .
C22 N3 Pd1 121.29(12) . .
C25 N3 Pd1 106.66(12) . .
C22 N3 H3 106.5(16) . .
C25 N3 H3 110.6(16) . .
Pd1 N3 H3 102.3(15) . .
N2 C1 N1 104.43(14) . .
N2 C1 Pd1 128.27(13) . .
N1 C1 Pd1 127.25(13) . .
C3 C2 N1 106.96(15) . .
C3 C2 H2 126.5 . .
N1 C2 H2 126.5 . .
C2 C3 N2 106.98(16) . .
C2 C3 H3A 126.5 . .
N2 C3 H3A 126.5 . .
C9 C4 C5 122.91(17) . .
C9 C4 N2 119.19(16) . .
C5 C4 N2 117.59(16) . .
C6 C5 C4 117.51(18) . .
C6 C5 C11 120.29(18) . .
C4 C5 C11 122.19(17) . .
C5 C6 C7 121.79(19) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C8 C7 C6 118.68(18) . .
C8 C7 C12 120.5(2) . .
C6 C7 C12 120.8(2) . .
C7 C8 C9 122.19(19) . .
C7 C8 H8 118.9 . .
C9 C8 H8 118.9 . .
C4 C9 C8 116.87(18) . .
C4 C9 C10 123.29(17) . .
C8 C9 C10 119.84(18) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C5 C11 H11A 109.5 . .
C5 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C5 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C18 122.48(17) . .
C14 C13 N1 120.11(16) . .
C18 C13 N1 117.26(16) . .
C13 C14 C15 116.81(17) . .
C13 C14 C20 122.79(17) . .
C15 C14 C20 120.34(17) . .
C16 C15 C14 122.61(18) . .
C16 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C15 C16 C17 118.54(18) . .
C15 C16 C21 120.4(2) . .
C17 C16 C21 121.1(2) . .
C16 C17 C18 121.62(18) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C17 C18 C13 117.89(17) . .
C17 C18 C19 120.15(17) . .
C13 C18 C19 121.96(17) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C14 C20 H20A 109.5 . .
C14 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C14 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C16 C21 H21A 109.5 . .
C16 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C16 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N3 C22 C23 111.28(16) . .
N3 C22 H22A 109.4 . .
C23 C22 H22A 109.4 . .
N3 C22 H22B 109.4 . .
C23 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
O1 C23 C22 111.56(16) . .
O1 C23 H23A 109.3 . .
C22 C23 H23A 109.3 . .
O1 C23 H23B 109.3 . .
C22 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
O1 C24 C25 110.56(18) . .
O1 C24 H24A 109.5 . .
C25 C24 H24A 109.5 . .
O1 C24 H24B 109.5 . .
C25 C24 H24B 109.5 . .
H24A C24 H24B 108.1 . .
N3 C25 C24 111.23(18) . .
N3 C25 H25A 109.4 . .
C24 C25 H25A 109.4 . .
N3 C25 H25B 109.4 . .
C24 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 1.9688(17) .
Pd1 N3 2.1062(15) .
Pd1 Cl2 2.2984(5) .
Pd1 Cl1 2.3057(5) .
O1 C23 1.421(3) .
O1 C24 1.423(3) .
N1 C1 1.358(2) .
N1 C2 1.387(2) .
N1 C13 1.448(2) .
N2 C1 1.355(2) .
N2 C3 1.389(2) .
N2 C4 1.448(2) .
N3 C22 1.476(2) .
N3 C25 1.478(3) .
N3 H3 0.797(15) .
C2 C3 1.334(3) .
C2 H2 0.9500 .
C3 H3A 0.9500 .
C4 C9 1.393(3) .
C4 C5 1.398(3) .
C5 C6 1.389(3) .
C5 C11 1.510(3) .
C6 C7 1.390(3) .
C6 H6 0.9500 .
C7 C8 1.384(3) .
C7 C12 1.509(3) .
C8 C9 1.400(3) .
C8 H8 0.9500 .
C9 C10 1.503(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.395(3) .
C13 C18 1.396(3) .
C14 C15 1.395(3) .
C14 C20 1.504(3) .
C15 C16 1.383(3) .
C15 H15 0.9500 .
C16 C17 1.384(3) .
C16 C21 1.513(3) .
C17 C18 1.391(3) .
C17 H17 0.9500 .
C18 C19 1.508(3) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.519(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.515(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C24 H24B O1 0.99 2.61 3.538(3) 156.0 2
C23 H23B Cl1 0.99 2.68 3.560(2) 148.8 2_665
C22 H22B Cl2 0.99 2.80 3.377(2) 117.4 .
N3 H3 Cl1 0.797(15) 2.64(2) 3.0114(16) 110.6(17) .
N3 H3 Cl1 0.797(15) 2.64(2) 3.0114(16) 110.6(17) .
C22 H22B Cl2 0.99 2.80 3.377(2) 117.4 .
C23 H23B Cl1 0.99 2.68 3.560(2) 148.8 2_665
C24 H24B O1 0.99 2.61 3.538(3) 156.0 2
N3 H3 Cl1 0.797(15) 2.64(2) 3.0114(16) 110.6(17) .
C22 H22B Cl2 0.99 2.80 3.377(2) 117.4 .
C23 H23B Cl1 0.99 2.68 3.560(2) 148.8 2_665
C24 H24B O1 0.99 2.61 3.538(3) 156.0 2
N3 H3 Cl1 0.797(15) 2.64(2) 3.0114(16) 110.6(17) .
C22 H22B Cl2 0.99 2.80 3.377(2) 117.4 .
C23 H23B Cl1 0.99 2.68 3.560(2) 148.8 2_665
C24 H24B O1 0.99 2.61 3.538(3) 156.0 2
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
C3 N2 C1 N1 -0.48(19) . . . .
C4 N2 C1 N1 -179.17(16) . . . .
C3 N2 C1 Pd1 -177.98(13) . . . .
C4 N2 C1 Pd1 3.3(3) . . . .
C2 N1 C1 N2 0.38(19) . . . .
C13 N1 C1 N2 176.10(16) . . . .
C2 N1 C1 Pd1 177.92(13) . . . .
C13 N1 C1 Pd1 -6.4(3) . . . .
C1 N1 C2 C3 -0.1(2) . . . .
C13 N1 C2 C3 -176.15(16) . . . .
N1 C2 C3 N2 -0.2(2) . . . .
C1 N2 C3 C2 0.4(2) . . . .
C4 N2 C3 C2 179.21(16) . . . .
C1 N2 C4 C9 70.1(2) . . . .
C3 N2 C4 C9 -108.4(2) . . . .
C1 N2 C4 C5 -116.0(2) . . . .
C3 N2 C4 C5 65.5(2) . . . .
C9 C4 C5 C6 1.5(3) . . . .
N2 C4 C5 C6 -172.12(15) . . . .
C9 C4 C5 C11 -178.09(17) . . . .
N2 C4 C5 C11 8.3(3) . . . .
C4 C5 C6 C7 -0.4(3) . . . .
C11 C5 C6 C7 179.27(17) . . . .
C5 C6 C7 C8 -1.4(3) . . . .
C5 C6 C7 C12 178.00(18) . . . .
C6 C7 C8 C9 2.0(3) . . . .
C12 C7 C8 C9 -177.33(19) . . . .
C5 C4 C9 C8 -0.9(3) . . . .
N2 C4 C9 C8 172.65(15) . . . .
C5 C4 C9 C10 179.00(17) . . . .
N2 C4 C9 C10 -7.4(3) . . . .
C7 C8 C9 C4 -0.9(3) . . . .
C7 C8 C9 C10 179.17(18) . . . .
C1 N1 C13 C14 74.1(2) . . . .
C2 N1 C13 C14 -110.65(19) . . . .
C1 N1 C13 C18 -110.3(2) . . . .
C2 N1 C13 C18 65.0(2) . . . .
C18 C13 C14 C15 1.0(3) . . . .
N1 C13 C14 C15 176.48(15) . . . .
C18 C13 C14 C20 -176.05(17) . . . .
N1 C13 C14 C20 -0.6(3) . . . .
C13 C14 C15 C16 -2.4(3) . . . .
C20 C14 C15 C16 174.72(18) . . . .
C14 C15 C16 C17 2.0(3) . . . .
C14 C15 C16 C21 -176.56(19) . . . .
C15 C16 C17 C18 -0.2(3) . . . .
C21 C16 C17 C18 178.42(19) . . . .
C16 C17 C18 C13 -1.1(3) . . . .
C16 C17 C18 C19 179.07(18) . . . .
C14 C13 C18 C17 0.7(3) . . . .
N1 C13 C18 C17 -174.88(15) . . . .
C14 C13 C18 C19 -179.53(17) . . . .
N1 C13 C18 C19 4.9(2) . . . .
C25 N3 C22 C23 -52.9(2) . . . .
Pd1 N3 C22 C23 -177.46(12) . . . .
C24 O1 C23 C22 -59.1(2) . . . .
N3 C22 C23 O1 56.2(2) . . . .
C23 O1 C24 C25 60.0(3) . . . .
C22 N3 C25 C24 54.3(2) . . . .
Pd1 N3 C25 C24 -172.99(16) . . . .
O1 C24 C25 N3 -58.5(3) . . . .
