#------------------------------------------------------------------------------
#$Date: 2024-03-28 04:26:56 +0200 (Thu, 28 Mar 2024) $
#$Revision: 290694 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/83/7248353.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_7248353
loop_
_publ_author_name
'Büchele, Wolfgang R. E.'
'Schlachta, Tim P.'
'Gebendorfer, Andreas L.'
'Pamperin, Jenny'
'Richter, Leon F.'
'Sauer, Michael J.'
'Prokop, Aram'
'Kühn, Fritz E.'
_publ_section_title
;
 Synthesis, characterization, and biomedical evaluation of
 ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with
 apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells
;
_journal_issue                   15
_journal_name_full               'RSC Advances'
_journal_page_first              10244
_journal_page_last               10254
_journal_paper_doi               10.1039/D4RA01195C
_journal_volume                  14
_journal_year                    2024
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C20 H36 N8 Pd, 2(F6 P)'
_chemical_formula_sum            'C20 H36 F12 N8 P2 Pd'
_chemical_formula_weight         784.91
_chemical_name_systematic        PdL13
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2023-10-05 deposited with the CCDC.	2024-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 123.111(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.125(2)
_cell_length_b                   10.9006(10)
_cell_length_c                   13.7800(14)
_cell_measurement_reflns_used    6290
_cell_measurement_temperature    100
_cell_measurement_theta_max      24.2471
_cell_measurement_theta_min      2.9616
_cell_volume                     2909.5(5)
_computing_cell_refinement       'SAINT (Bruker, 2019)'
_computing_data_collection       'APEX 4 Control Software (Bruker, 2021)'
_computing_data_reduction        'SAINT (Bruker, 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2004)'
_computing_structure_refinement
'SHELXL (Sheldrick, 2018), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' Bruker Photon-100 CMOS '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker D8 Venture '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1028
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            63554
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.853
_exptl_absorpt_correction_T_max  0.7379
_exptl_absorpt_correction_T_min  0.7042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1584
_exptl_crystal_recrystallization_method 'MeCN/Et2O Vapor Diffusion'
_exptl_crystal_size_max          0.069
_exptl_crystal_size_mid          0.044
_exptl_crystal_size_min          0.044
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         2669
_refine_ls_number_restraints     316
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[Σ²(FO²)+(0.0146P)²+6.6208P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0579
_reflns_number_gt                2333
_reflns_number_total             2669
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            d4ra01195c2.cif
_cod_data_source_block           geban2_0m
_cod_original_cell_volume        2909.6(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7248353
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd Uani 0.50000 1.00000 0.50000 1.000 0.0144(1) d SP . .
P1 P Uani 0.66399(18) 0.5571(3) 0.4691(3) 0.681(18) 0.0201(8) d DUP B 1
P1A P Uani 0.6677(5) 0.5519(9) 0.4788(10) 0.319(18) 0.052(3) d DUP B 2
N1 N Uani 0.34654(11) 0.9656(2) 0.39370(19) 1.000 0.0299(7) d . . .
F1 F Uani 0.6715(4) 0.5410(7) 0.3609(4) 0.681(18) 0.0332(13) d DUP B 1
F2 F Uani 0.6553(6) 0.5707(12) 0.5757(7) 0.681(18) 0.059(3) d DUP B 1
N2 N Uani 0.39430(13) 0.8017(2) 0.3835(2) 1.000 0.0476(8) d . . .
F3 F Uani 0.7398(3) 0.6088(9) 0.5442(6) 0.681(18) 0.0523(18) d DUP B 1
N3 N Uani 0.53426(12) 0.7444(2) 0.5941(2) 1.000 0.0370(8) d . . .
F4 F Uani 0.6926(5) 0.4212(5) 0.5095(6) 0.681(18) 0.0558(18) d DUP B 1
N4 N Uani 0.57068(11) 0.8738(2) 0.73362(18) 1.000 0.0280(7) d . . .
F5 F Uani 0.5867(2) 0.5033(7) 0.3910(6) 0.681(18) 0.0457(15) d DUP B 1
F6 F Uani 0.6325(4) 0.6894(4) 0.4236(7) 0.681(18) 0.060(2) d DUP B 1
C1 C Uani 0.40566(12) 0.9173(2) 0.4193(2) 1.000 0.0201(7) d . . .
C2 C Uani 0.28972(16) 0.8776(4) 0.3416(3) 1.000 0.0663(16) d . . .
C3 C Uani 0.3207(2) 0.7694(4) 0.3173(3) 1.000 0.0746(14) d . . .
C4 C Uani 0.33532(17) 1.0910(3) 0.4147(3) 1.000 0.0479(11) d . . .
C5 C Uani 0.4582(4) 0.7310(6) 0.3862(5) 0.508(10) 0.025(2) d DUP A 3
C5A C Uani 0.4289(4) 0.7006(6) 0.3947(5) 0.492(10) 0.0264(19) d DUP A 4
C6 C Uani 0.4985(3) 0.6632(6) 0.4991(6) 0.508(10) 0.0281(17) d DUP A 3
C6A C Uani 0.5058(3) 0.7184(6) 0.4627(6) 0.492(10) 0.023(2) d DUP A 4
C7 C Uani 0.53753(12) 0.8622(2) 0.6193(2) 1.000 0.0196(7) d . . .
C8 C Uani 0.56624(17) 0.6647(3) 0.6956(3) 1.000 0.0484(13) d . . .
C9 C Uani 0.59527(16) 0.7565(3) 0.7941(3) 1.000 0.0465(11) d . . .
C10 C Uani 0.58893(15) 0.9864(3) 0.7984(2) 1.000 0.0401(10) d . . .
F1A F Uani 0.6757(9) 0.5187(19) 0.3742(14) 0.319(18) 0.067(5) d DUP B 2
F2A F Uani 0.6564(10) 0.590(2) 0.5796(12) 0.319(18) 0.040(3) d DUP B 2
F3A F Uani 0.7257(7) 0.6549(11) 0.5225(14) 0.319(18) 0.046(3) d DUP B 2
F4A F Uani 0.7250(7) 0.4570(11) 0.5581(16) 0.319(18) 0.065(4) d DUP B 2
F5A F Uani 0.6081(8) 0.4547(14) 0.4370(15) 0.319(18) 0.052(4) d DUP B 2
F6A F Uani 0.6110(7) 0.6565(17) 0.3993(11) 0.319(18) 0.061(4) d DUP B 2
H5A1 H Uiso 0.41346 0.66961 0.31656 0.492(10) 0.0320 c RUP A 4
H5A2 H Uiso 0.41765 0.63735 0.43343 0.492(10) 0.0320 c RUP A 4
H2A H Uiso 0.24904 0.91033 0.26937 1.000 0.0800 c RU . .
H2B H Uiso 0.27603 0.85532 0.39601 1.000 0.0800 c RU . .
H6AA H Uiso 0.51730 0.78824 0.43021 0.492(10) 0.0280 c RUP A 4
H3A H Uiso 0.31251 0.69189 0.34533 1.000 0.0900 c RU . .
H3B H Uiso 0.30195 0.76197 0.23350 1.000 0.0900 c RU . .
H6AB H Uiso 0.52815 0.64395 0.45662 0.492(10) 0.0280 c RUP A 4
H4A H Uiso 0.30574 1.09135 0.44531 1.000 0.0720 c RU . .
H4B H Uiso 0.31285 1.13722 0.34197 1.000 0.0720 c RU . .
H4C H Uiso 0.37977 1.12906 0.47112 1.000 0.0720 c RU . .
H5A H Uiso 0.43984 0.67297 0.32048 0.508(10) 0.0310 c RUP A 3
H5B H Uiso 0.48814 0.79127 0.38024 0.508(10) 0.0310 c RUP A 3
H6A H Uiso 0.46651 0.61213 0.50871 0.508(10) 0.0330 c RUP A 3
H6B H Uiso 0.53196 0.60783 0.49779 0.508(10) 0.0330 c RUP A 3
H8A H Uiso 0.60327 0.61405 0.70048 1.000 0.0580 c RU . .
H8B H Uiso 0.53175 0.61032 0.69496 1.000 0.0580 c RU . .
H9A H Uiso 0.57732 0.74134 0.84384 1.000 0.0560 c RU . .
H9B H Uiso 0.64634 0.75353 0.84230 1.000 0.0560 c RU . .
H10A H Uiso 0.57580 0.98140 0.85497 1.000 0.0600 c RU . .
H10B H Uiso 0.56456 1.05493 0.74540 1.000 0.0600 c RU . .
H10C H Uiso 0.63885 0.99943 0.83909 1.000 0.0600 c RU . .
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'
F F 0.0171 0.0103 ' 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'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pd1 C7 88.36(10) . . . yes
C1 Pd1 C1 180.00 . . 3_676 yes
C1 Pd1 C7 91.64(10) . . 3_676 yes
C1 Pd1 C7 91.64(10) 3_676 . . yes
C7 Pd1 C7 180.00 . . 3_676 yes
C1 Pd1 C7 88.36(10) 3_676 . 3_676 yes
F4 P1 F5 89.6(5) . . . yes
F4 P1 F6 177.3(5) . . . yes
F5 P1 F6 88.0(5) . . . yes
F2 P1 F4 90.1(6) . . . yes
F1 P1 F2 178.7(6) . . . yes
F1 P1 F3 90.2(5) . . . yes
F1 P1 F4 89.3(5) . . . yes
F1 P1 F5 89.0(4) . . . yes
F1 P1 F6 89.5(5) . . . yes
F2 P1 F3 91.0(6) . . . yes
F3 P1 F4 90.1(5) . . . yes
F2 P1 F5 89.8(6) . . . yes
F2 P1 F6 91.0(6) . . . yes
F3 P1 F5 179.2(5) . . . yes
F3 P1 F6 92.3(5) . . . yes
F1A P1A F2A 177.0(13) . . . yes
F4A P1A F6A 177.0(12) . . . yes
F5A P1A F6A 90.2(11) . . . yes
F2A P1A F5A 88.1(13) . . . yes
F1A P1A F3A 90.7(12) . . . yes
F1A P1A F4A 90.5(12) . . . yes
F1A P1A F5A 91.6(12) . . . yes
F1A P1A F6A 90.0(11) . . . yes
F2A P1A F3A 89.5(12) . . . yes
F2A P1A F4A 92.5(12) . . . yes
F3A P1A F5A 177.0(13) . . . yes
F2A P1A F6A 87.1(11) . . . yes
F3A P1A F4A 89.1(10) . . . yes
F3A P1A F6A 87.9(10) . . . yes
F4A P1A F5A 92.8(10) . . . yes
C2 N1 C4 120.4(3) . . . yes
C1 N1 C2 113.1(3) . . . yes
C1 N1 C4 126.5(3) . . . yes
C1 N2 C5A 139.9(4) . . . yes
C1 N2 C3 112.7(3) . . . yes
C1 N2 C5 116.3(4) . . . yes
C3 N2 C5 128.5(3) . . . yes
C3 N2 C5A 107.2(4) . . . yes
C6 N3 C8 104.4(3) . . . yes
C6 N3 C7 140.6(3) . . . yes
C6A N3 C8 132.0(3) . . . yes
C7 N3 C8 113.6(2) . . . yes
C6A N3 C7 113.8(3) . . . yes
C9 N4 C10 120.1(2) . . . yes
C7 N4 C9 112.7(2) . . . yes
C7 N4 C10 126.9(2) . . . yes
N1 C1 N2 108.3(3) . . . yes
Pd1 C1 N1 127.77(17) . . . yes
Pd1 C1 N2 124.0(2) . . . yes
N1 C2 C3 102.3(3) . . . yes
N2 C3 C2 101.8(3) . . . yes
N2 C5 C6 107.2(6) . . . yes
N2 C5A C6A 113.6(5) . . . yes
N3 C6 C5 111.7(5) . . . yes
N3 C6A C5A 110.4(6) . . . yes
N3 C7 N4 108.5(2) . . . yes
Pd1 C7 N4 127.00(17) . . . yes
Pd1 C7 N3 124.48(18) . . . yes
N3 C8 C9 102.1(2) . . . yes
N4 C9 C8 102.9(3) . . . yes
C3 C2 H2A 111.00 . . . no
C3 C2 H2B 111.00 . . . no
N1 C2 H2A 111.00 . . . no
N1 C2 H2B 111.00 . . . no
H2A C2 H2B 109.00 . . . no
H3A C3 H3B 109.00 . . . no
N2 C3 H3B 111.00 . . . no
N2 C3 H3A 111.00 . . . no
C2 C3 H3A 111.00 . . . no
C2 C3 H3B 111.00 . . . no
N1 C4 H4A 109.00 . . . no
N1 C4 H4C 109.00 . . . no
H4A C4 H4B 109.00 . . . no
N1 C4 H4B 109.00 . . . no
H4B C4 H4C 110.00 . . . no
H4A C4 H4C 109.00 . . . no
H5A C5 H5B 109.00 . . . no
C6 C5 H5B 110.00 . . . no
N2 C5 H5A 110.00 . . . no
N2 C5 H5B 110.00 . . . no
C6 C5 H5A 110.00 . . . no
N2 C5A H5A1 109.00 . . . no
N2 C5A H5A2 109.00 . . . no
C6A C5A H5A1 109.00 . . . no
C6A C5A H5A2 109.00 . . . no
H5A1 C5A H5A2 108.00 . . . no
H6A C6 H6B 108.00 . . . no
N3 C6 H6B 109.00 . . . no
C5 C6 H6A 109.00 . . . no
N3 C6 H6A 109.00 . . . no
C5 C6 H6B 109.00 . . . no
N3 C6A H6AB 110.00 . . . no
H6AA C6A H6AB 108.00 . . . no
N3 C6A H6AA 110.00 . . . no
C5A C6A H6AA 110.00 . . . no
C5A C6A H6AB 110.00 . . . no
N3 C8 H8A 111.00 . . . no
C9 C8 H8A 111.00 . . . no
C9 C8 H8B 111.00 . . . no
H8A C8 H8B 109.00 . . . no
N3 C8 H8B 111.00 . . . no
N4 C9 H9B 111.00 . . . no
C8 C9 H9A 111.00 . . . no
N4 C9 H9A 111.00 . . . no
H9A C9 H9B 109.00 . . . no
C8 C9 H9B 111.00 . . . no
N4 C10 H10B 109.00 . . . no
N4 C10 H10C 109.00 . . . no
H10A C10 H10C 109.00 . . . no
H10B C10 H10C 110.00 . . . no
H10A C10 H10B 109.00 . . . no
N4 C10 H10A 109.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 2.039(3) . . yes
Pd1 C7 2.038(2) . . yes
Pd1 C1 2.039(3) . 3_676 yes
Pd1 C7 2.038(2) . 3_676 yes
P1 F6 1.583(6) . . yes
P1 F3 1.575(9) . . yes
P1 F1 1.602(8) . . yes
P1 F2 1.595(12) . . yes
P1 F4 1.594(7) . . yes
P1 F5 1.611(8) . . yes
P1A F2A 1.60(2) . . yes
P1A F1A 1.59(2) . . yes
P1A F5A 1.58(2) . . yes
P1A F3A 1.59(2) . . yes
P1A F4A 1.56(2) . . yes
P1A F6A 1.63(2) . . yes
N1 C1 1.321(4) . . yes
N1 C2 1.460(5) . . yes
N1 C4 1.450(4) . . yes
N2 C1 1.326(3) . . yes
N2 C5A 1.321(8) . . yes
N2 C5 1.649(10) . . yes
N2 C3 1.469(6) . . yes
N3 C7 1.322(3) . . yes
N3 C6 1.414(7) . . yes
N3 C8 1.459(4) . . yes
N3 C6A 1.578(7) . . yes
N4 C9 1.461(4) . . yes
N4 C7 1.329(3) . . yes
N4 C10 1.439(4) . . yes
C2 C3 1.510(6) . . no
C5 C6 1.500(9) . . no
C5A C6A 1.503(12) . . no
C8 C9 1.516(5) . . no
C2 H2B 0.9900 . . no
C2 H2A 0.9900 . . no
C3 H3A 0.9900 . . no
C3 H3B 0.9900 . . no
C4 H4B 0.9800 . . no
C4 H4C 0.9800 . . no
C4 H4A 0.9800 . . no
C5 H5A 0.9900 . . no
C5 H5B 0.9900 . . no
C5A H5A2 0.9900 . . no
C5A H5A1 0.9900 . . no
C6 H6A 0.9900 . . no
C6 H6B 0.9900 . . no
C6A H6AB 0.9900 . . no
C6A H6AA 0.9900 . . no
C8 H8B 0.9900 . . no
C8 H8A 0.9900 . . no
C9 H9A 0.9900 . . no
C9 H9B 0.9900 . . no
C10 H10B 0.9800 . . no
C10 H10C 0.9800 . . no
C10 H10A 0.9800 . . no
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
_geom_hbond_publ_flag
C2 H2A F2 0.9900 2.3500 3.311(10) 162.00 8_464 yes
C2 H2A F2A 0.9900 2.3000 3.241(16) 158.00 8_464 yes
C3 H3A F4 0.9900 2.4100 3.303(9) 150.00 3_666 yes
C3 H3A F4A 0.9900 2.5300 3.484(17) 161.00 3_666 yes
C4 H4A F3 0.9800 2.5500 3.523(9) 173.00 5_455 yes
C6 H6A F5A 0.9900 2.3400 3.30(2) 162.00 3_666 yes
C6 H6B F2 0.9900 2.4700 3.331(16) 145.00 . yes
C6 H6B F2A 0.9900 2.4600 3.28(3) 140.00 . yes
C8 H8A F1 0.9900 2.5300 3.176(8) 122.00 4_565 yes
C8 H8A F1A 0.9900 2.5000 3.11(2) 119.00 4_565 yes
C9 H9A F5A 0.9900 2.3900 2.937(17) 114.00 4_565 yes
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
C7 Pd1 C1 N1 124.7(2) . . . . no
C7 Pd1 C1 N1 -55.3(2) 3_676 . . . no
C7 Pd1 C1 N2 -55.2(2) . . . . no
C7 Pd1 C1 N2 124.8(2) 3_676 . . . no
C1 Pd1 C7 N3 57.1(3) . . . . no
C1 Pd1 C7 N3 -122.9(3) 3_676 . . . no
C1 Pd1 C7 N4 -125.0(3) . . . . no
C1 Pd1 C7 N4 55.0(3) 3_676 . . . no
C4 N1 C1 Pd1 2.0(4) . . . . no
C2 N1 C1 N2 3.2(3) . . . . no
C2 N1 C1 Pd1 -176.7(2) . . . . no
C1 N1 C2 C3 -10.6(3) . . . . no
C4 N1 C2 C3 170.7(3) . . . . no
C4 N1 C1 N2 -178.2(3) . . . . no
C5 N2 C1 N1 169.7(3) . . . . no
C1 N2 C5 C6 94.5(5) . . . . no
C5 N2 C3 C2 -173.3(4) . . . . no
C3 N2 C1 Pd1 -173.9(2) . . . . no
C3 N2 C5 C6 -105.1(5) . . . . no
C1 N2 C3 C2 -12.4(4) . . . . no
C5 N2 C1 Pd1 -10.4(4) . . . . no
C3 N2 C1 N1 6.3(3) . . . . no
C8 N3 C7 N4 0.6(4) . . . . no
C7 N3 C6 C5 11.9(11) . . . . no
C8 N3 C6 C5 176.3(6) . . . . no
C6 N3 C8 C9 -172.6(4) . . . . no
C6 N3 C7 Pd1 -17.8(8) . . . . no
C8 N3 C7 Pd1 178.8(3) . . . . no
C6 N3 C7 N4 164.1(6) . . . . no
C7 N3 C8 C9 -3.3(4) . . . . no
C9 N4 C7 Pd1 -175.5(3) . . . . no
C10 N4 C7 Pd1 -1.8(5) . . . . no
C9 N4 C7 N3 2.7(4) . . . . no
C10 N4 C7 N3 176.4(3) . . . . no
C7 N4 C9 C8 -4.6(4) . . . . no
C10 N4 C9 C8 -178.7(3) . . . . no
N1 C2 C3 N2 12.7(3) . . . . no
N2 C5 C6 N3 -69.1(7) . . . . no
N3 C8 C9 N4 4.4(4) . . . . no
