#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/28/7022865.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_7022865
loop_
_publ_author_name
'Adeyi, Okoh'
'Cross, Warren B.'
'Forrest, Gregory'
'Godfrey, Luke'
'Hope, Eric G.'
'McLeod, Andrew'
'Singh, Amandeep'
'Singh, Kuldip'
'Solan, Gregory A.'
'Wang, Yining'
'Wright, Luka A.'
_publ_section_title
;
 From discrete monomeric complexes to hydrogen-bonded dimeric assemblies
 based on sterically encumbered square planar palladium(II) ONN-pincers.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7710
_journal_page_last               7723
_journal_paper_doi               10.1039/c3dt50176k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C30 H29 Cl3 N2 O3 Pd'
_chemical_formula_sum            'C30 H29 Cl3 N2 O3 Pd'
_chemical_formula_weight         678.30
_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                 100.468(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.216(10)
_cell_length_b                   18.856(14)
_cell_length_c                   11.977(9)
_cell_measurement_reflns_used    612
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.400
_cell_measurement_theta_min      2.160
_cell_volume                     2935(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_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  0.1950
_diffrn_reflns_av_sigmaI/netI    0.2104
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22755
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.939
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.470
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 3422 reflections(SADABS);Rint 0.1578 before
correction and 0.0631 after.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         5773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_all          0.1792
_refine_ls_R_factor_gt           0.0785
_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)+(0.0592P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1467
_refine_ls_wR_factor_ref         0.1757
_reflns_number_gt                2724
_reflns_number_total             5773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50176k.txt
_cod_data_source_block           10093
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7022865
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_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
Pd1 Pd 0.46987(5) 0.01768(3) 0.11944(5) 0.0375(2) Uani 1 1 d .
O1 O 0.5472(4) 0.1013(3) 0.0829(4) 0.0424(15) Uani 1 1 d .
O2 O 0.3372(5) 0.0539(3) 0.0199(5) 0.0462(16) Uani 1 1 d .
O3 O 0.2933(5) 0.1054(3) 0.1656(6) 0.0678(19) Uani 1 1 d .
N1 N 0.5942(5) -0.0252(4) 0.2112(5) 0.0338(16) Uani 1 1 d .
N2 N 0.4004(5) -0.0763(3) 0.1412(5) 0.0398(17) Uani 1 1 d .
H2 H 0.3756 -0.0915 0.0674 0.048 Uiso 1 1 calc R
C1 C 0.6202(6) 0.1279(5) 0.1625(7) 0.038(2) Uani 1 1 d .
C2 C 0.6889(6) 0.0870(5) 0.2395(7) 0.037(2) Uani 1 1 d .
C3 C 0.7677(7) 0.1221(5) 0.3135(8) 0.051(2) Uani 1 1 d .
H3 H 0.8130 0.0953 0.3684 0.061 Uiso 1 1 calc R
C4 C 0.7808(7) 0.1941(6) 0.3084(8) 0.057(3) Uani 1 1 d .
H4 H 0.8352 0.2167 0.3585 0.068 Uiso 1 1 calc R
C5 C 0.7151(7) 0.2332(5) 0.2310(8) 0.050(2) Uani 1 1 d .
H5 H 0.7269 0.2827 0.2263 0.060 Uiso 1 1 calc R
C6 C 0.6326(7) 0.2036(5) 0.1595(7) 0.041(2) Uani 1 1 d .
C7 C 0.5617(7) 0.2445(4) 0.0767(7) 0.041(2) Uani 1 1 d .
C8 C 0.5968(8) 0.2914(5) 0.0049(8) 0.056(3) Uani 1 1 d .
H8 H 0.6688 0.2984 0.0105 0.067 Uiso 1 1 calc R
C9 C 0.5290(9) 0.3286(5) -0.0757(9) 0.064(3) Uani 1 1 d .
H9 H 0.5556 0.3607 -0.1243 0.076 Uiso 1 1 calc R
C10 C 0.4249(10) 0.3206(5) -0.0874(8) 0.066(3) Uani 1 1 d .
H10 H 0.3788 0.3460 -0.1435 0.079 Uiso 1 1 calc R
C11 C 0.3893(8) 0.2740(5) -0.0140(8) 0.054(3) Uani 1 1 d .
H11 H 0.3173 0.2678 -0.0191 0.065 Uiso 1 1 calc R
C12 C 0.4560(7) 0.2362(5) 0.0663(8) 0.047(2) Uani 1 1 d .
H12 H 0.4294 0.2042 0.1150 0.056 Uiso 1 1 calc R
C13 C 0.6843(7) 0.0081(5) 0.2467(6) 0.041(2) Uani 1 1 d .
C14 C 0.7707(7) -0.0316(5) 0.2915(7) 0.047(2) Uani 1 1 d .
H14 H 0.8350 -0.0088 0.3162 0.057 Uiso 1 1 calc R
C15 C 0.7629(8) -0.1032(5) 0.2999(8) 0.061(3) Uani 1 1 d .
H15 H 0.8225 -0.1304 0.3281 0.073 Uiso 1 1 calc R
C16 C 0.6697(7) -0.1367(5) 0.2681(7) 0.049(2) Uani 1 1 d .
H16 H 0.6633 -0.1864 0.2775 0.058 Uiso 1 1 calc R
C17 C 0.5873(6) -0.0966(5) 0.2230(6) 0.039(2) Uani 1 1 d .
C18 C 0.4824(6) -0.1291(4) 0.1852(7) 0.044(2) Uani 1 1 d .
H18A H 0.4865 -0.1643 0.1249 0.052 Uiso 1 1 calc R
H18B H 0.4625 -0.1546 0.2501 0.052 Uiso 1 1 calc R
C19 C 0.3106(6) -0.0792(4) 0.1954(7) 0.035(2) Uani 1 1 d .
C20 C 0.3213(6) -0.0563(4) 0.3076(7) 0.042(2) Uani 1 1 d .
C21 C 0.2345(7) -0.0621(5) 0.3597(8) 0.051(2) Uani 1 1 d .
H21 H 0.2399 -0.0481 0.4368 0.061 Uiso 1 1 calc R
C22 C 0.1420(7) -0.0876(5) 0.3023(9) 0.049(2) Uani 1 1 d .
C23 C 0.1336(7) -0.1058(5) 0.1889(8) 0.051(2) Uani 1 1 d .
H23 H 0.0689 -0.1205 0.1473 0.062 Uiso 1 1 calc R
C24 C 0.2195(6) -0.1027(4) 0.1343(7) 0.037(2) Uani 1 1 d .
C25 C 0.4186(7) -0.0269(5) 0.3776(7) 0.061(3) Uani 1 1 d .
H25A H 0.4695 -0.0649 0.3952 0.091 Uiso 1 1 calc R
H25B H 0.4035 -0.0070 0.4483 0.091 Uiso 1 1 calc R
H25C H 0.4462 0.0105 0.3346 0.091 Uiso 1 1 calc R
C26 C 0.0517(7) -0.0950(6) 0.3606(9) 0.081(4) Uani 1 1 d .
H26A H 0.0606 -0.1372 0.4092 0.121 Uiso 1 1 calc R
H26B H -0.0113 -0.0998 0.3037 0.121 Uiso 1 1 calc R
H26C H 0.0467 -0.0529 0.4072 0.121 Uiso 1 1 calc R
C27 C 0.2082(7) -0.1239(5) 0.0130(7) 0.059(3) Uani 1 1 d .
H27A H 0.2308 -0.0850 -0.0307 0.088 Uiso 1 1 calc R
H27B H 0.1359 -0.1348 -0.0171 0.088 Uiso 1 1 calc R
H27C H 0.2504 -0.1660 0.0069 0.088 Uiso 1 1 calc R
C28 C 0.2824(8) 0.0857(6) 0.0614(9) 0.054(3) Uani 1 1 d .
C29 C 0.1787(8) 0.1073(6) -0.0126(9) 0.092(4) Uani 1 1 d .
H29A H 0.1911 0.1273 -0.0845 0.138 Uiso 1 1 calc R
H29B H 0.1449 0.1429 0.0277 0.138 Uiso 1 1 calc R
H29C H 0.1343 0.0655 -0.0280 0.138 Uiso 1 1 calc R
C30 C 0.1108(8) 0.1331(6) 0.2797(10) 0.087(4) Uani 1 1 d .
H30 H 0.1747 0.1207 0.2502 0.104 Uiso 1 1 calc R
Cl1 Cl 0.0108(3) 0.0803(2) 0.2115(3) 0.1160(12) Uani 1 1 d .
Cl2 Cl 0.1319(4) 0.1180(3) 0.4222(3) 0.1551(17) Uani 1 1 d .
Cl3 Cl 0.0795(4) 0.2210(2) 0.2456(5) 0.204(3) 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'
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'
Cl Cl 0.1484 0.1585 '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_3
O1 Pd1 N1 92.2(3) .
O1 Pd1 N2 171.7(2) .
N1 Pd1 N2 85.5(3) .
O1 Pd1 O2 91.6(2) .
N1 Pd1 O2 175.3(3) .
N2 Pd1 O2 90.4(2) .
O1 Pd1 Pd1 75.09(15) 3_655
N1 Pd1 Pd1 95.52(18) 3_655
N2 Pd1 Pd1 97.20(18) 3_655
O2 Pd1 Pd1 82.76(19) 3_655
C1 O1 Pd1 118.8(5) .
C28 O2 Pd1 118.2(7) .
C13 N1 C17 120.1(7) .
C13 N1 Pd1 125.8(6) .
C17 N1 Pd1 113.5(5) .
C19 N2 C18 114.5(6) .
C19 N2 Pd1 121.0(5) .
C18 N2 Pd1 108.1(5) .
C19 N2 H2 103.7 .
C18 N2 H2 103.7 .
Pd1 N2 H2 103.7 .
O1 C1 C2 124.4(8) .
O1 C1 C6 115.4(7) .
C2 C1 C6 119.9(8) .
C1 C2 C3 118.3(8) .
C1 C2 C13 123.9(8) .
C3 C2 C13 117.8(8) .
C4 C3 C2 121.5(9) .
C4 C3 H3 119.2 .
C2 C3 H3 119.2 .
C5 C4 C3 119.7(9) .
C5 C4 H4 120.2 .
C3 C4 H4 120.2 .
C4 C5 C6 122.5(9) .
C4 C5 H5 118.7 .
C6 C5 H5 118.7 .
C5 C6 C1 117.9(8) .
C5 C6 C7 123.2(9) .
C1 C6 C7 118.8(8) .
C8 C7 C12 117.8(9) .
C8 C7 C6 121.3(9) .
C12 C7 C6 120.9(8) .
C7 C8 C9 120.9(10) .
C7 C8 H8 119.6 .
C9 C8 H8 119.6 .
C10 C9 C8 122.0(9) .
C10 C9 H9 119.0 .
C8 C9 H9 119.0 .
C9 C10 C11 117.2(10) .
C9 C10 H10 121.4 .
C11 C10 H10 121.4 .
C12 C11 C10 121.6(10) .
C12 C11 H11 119.2 .
C10 C11 H11 119.2 .
C11 C12 C7 120.6(9) .
C11 C12 H12 119.7 .
C7 C12 H12 119.7 .
N1 C13 C14 119.3(8) .
N1 C13 C2 119.4(7) .
C14 C13 C2 121.3(8) .
C15 C14 C13 119.7(9) .
C15 C14 H14 120.1 .
C13 C14 H14 120.1 .
C14 C15 C16 120.8(9) .
C14 C15 H15 119.6 .
C16 C15 H15 119.6 .
C17 C16 C15 118.0(9) .
C17 C16 H16 121.0 .
C15 C16 H16 121.0 .
C16 C17 N1 122.0(8) .
C16 C17 C18 121.5(8) .
N1 C17 C18 116.5(7) .
N2 C18 C17 113.8(7) .
N2 C18 H18A 108.8 .
C17 C18 H18A 108.8 .
N2 C18 H18B 108.8 .
C17 C18 H18B 108.8 .
H18A C18 H18B 107.7 .
C24 C19 C20 122.9(7) .
C24 C19 N2 119.1(7) .
C20 C19 N2 118.1(7) .
C19 C20 C21 117.1(8) .
C19 C20 C25 125.2(7) .
C21 C20 C25 117.7(8) .
C22 C21 C20 121.9(9) .
C22 C21 H21 119.1 .
C20 C21 H21 119.1 .
C21 C22 C23 118.8(8) .
C21 C22 C26 120.7(9) .
C23 C22 C26 120.5(9) .
C22 C23 C24 121.1(8) .
C22 C23 H23 119.4 .
C24 C23 H23 119.4 .
C19 C24 C23 118.1(8) .
C19 C24 C27 122.2(7) .
C23 C24 C27 119.7(8) .
C20 C25 H25A 109.5 .
C20 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C20 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C22 C26 H26A 109.5 .
C22 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C22 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C24 C27 H27A 109.5 .
C24 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C24 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
O2 C28 O3 128.1(10) .
O2 C28 C29 117.5(10) .
O3 C28 C29 114.4(10) .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Cl2 C30 Cl1 110.3(6) .
Cl2 C30 Cl3 112.6(7) .
Cl1 C30 Cl3 107.9(7) .
Cl2 C30 H30 108.6 .
Cl1 C30 H30 108.6 .
Cl3 C30 H30 108.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 O1 1.972(5) .
Pd1 N1 1.976(6) .
Pd1 N2 2.033(6) .
Pd1 O2 2.049(6) .
Pd1 Pd1 3.177(2) 3_655
O1 C1 1.326(9) .
O2 C28 1.124(11) .
O3 C28 1.284(11) .
N1 C13 1.345(10) .
N1 C17 1.360(10) .
N2 C19 1.455(9) .
N2 C18 1.495(9) .
N2 H2 0.9300 .
C1 C2 1.402(11) .
C1 C6 1.438(11) .
C2 C3 1.403(11) .
C2 C13 1.492(11) .
C3 C4 1.372(11) .
C3 H3 0.9500 .
C4 C5 1.365(12) .
C4 H4 0.9500 .
C5 C6 1.377(11) .
C5 H5 0.9500 .
C6 C7 1.456(12) .
C7 C8 1.372(11) .
C7 C12 1.389(11) .
C8 C9 1.383(13) .
C8 H8 0.9500 .
C9 C10 1.366(13) .
C9 H9 0.9500 .
C10 C11 1.385(12) .
C10 H10 0.9500 .
C11 C12 1.379(12) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.389(11) .
C14 C15 1.359(11) .
C14 H14 0.9500 .
C15 C16 1.375(12) .
C15 H15 0.9500 .
C16 C17 1.355(11) .
C16 H16 0.9500 .
C17 C18 1.508(11) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C24 1.364(10) .
C19 C20 1.394(11) .
C20 C21 1.407(11) .
C20 C25 1.508(11) .
C21 C22 1.376(12) .
C21 H21 0.9500 .
C22 C23 1.385(11) .
C22 C26 1.494(11) .
C23 C24 1.410(11) .
C23 H23 0.9500 .
C24 C27 1.489(10) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.546(13) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 Cl2 1.702(12) .
C30 Cl1 1.736(11) .
C30 Cl3 1.739(12) .
C30 H30 1.0000 .
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
N2 H2 O1 0.93 2.23 2.929(8) 131.1 3_655
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
N1 Pd1 O1 C1 -38.3(6) .
O2 Pd1 O1 C1 144.5(6) .
Pd1 Pd1 O1 C1 -133.4(6) 3_655
O1 Pd1 O2 C28 -93.9(8) .
N2 Pd1 O2 C28 94.1(8) .
Pd1 Pd1 O2 C28 -168.6(8) 3_655
O1 Pd1 N1 C13 12.9(6) .
N2 Pd1 N1 C13 -175.0(6) .
Pd1 Pd1 N1 C13 88.2(6) 3_655
O1 Pd1 N1 C17 -157.6(5) .
N2 Pd1 N1 C17 14.4(5) .
Pd1 Pd1 N1 C17 -82.4(5) 3_655
N1 Pd1 N2 C19 121.0(6) .
O2 Pd1 N2 C19 -61.3(6) .
Pd1 Pd1 N2 C19 -144.0(6) 3_655
N1 Pd1 N2 C18 -13.9(5) .
O2 Pd1 N2 C18 163.9(5) .
Pd1 Pd1 N2 C18 81.1(5) 3_655
Pd1 O1 C1 C2 39.4(10) .
Pd1 O1 C1 C6 -146.3(5) .
O1 C1 C2 C3 175.0(7) .
C6 C1 C2 C3 1.0(11) .
O1 C1 C2 C13 -4.2(12) .
C6 C1 C2 C13 -178.2(7) .
C1 C2 C3 C4 -2.7(12) .
C13 C2 C3 C4 176.5(7) .
C2 C3 C4 C5 1.0(13) .
C3 C4 C5 C6 2.6(14) .
C4 C5 C6 C1 -4.2(12) .
C4 C5 C6 C7 179.8(8) .
O1 C1 C6 C5 -172.2(7) .
C2 C1 C6 C5 2.3(11) .
O1 C1 C6 C7 4.0(10) .
C2 C1 C6 C7 178.5(7) .
C5 C6 C7 C8 48.3(12) .
C1 C6 C7 C8 -127.7(9) .
C5 C6 C7 C12 -133.1(9) .
C1 C6 C7 C12 50.9(11) .
C12 C7 C8 C9 -0.5(13) .
C6 C7 C8 C9 178.2(8) .
C7 C8 C9 C10 0.1(15) .
C8 C9 C10 C11 0.7(15) .
C9 C10 C11 C12 -1.1(14) .
C10 C11 C12 C7 0.7(13) .
C8 C7 C12 C11 0.1(12) .
C6 C7 C12 C11 -178.5(8) .
C17 N1 C13 C14 2.3(11) .
Pd1 N1 C13 C14 -167.6(6) .
C17 N1 C13 C2 -176.4(6) .
Pd1 N1 C13 C2 13.6(9) .
C1 C2 C13 N1 -25.0(11) .
C3 C2 C13 N1 155.8(7) .
C1 C2 C13 C14 156.3(8) .
C3 C2 C13 C14 -22.9(11) .
N1 C13 C14 C15 -0.7(12) .
C2 C13 C14 C15 178.0(8) .
C13 C14 C15 C16 -2.2(13) .
C14 C15 C16 C17 3.2(13) .
C15 C16 C17 N1 -1.6(12) .
C15 C16 C17 C18 179.6(8) .
C13 N1 C17 C16 -1.2(11) .
Pd1 N1 C17 C16 169.9(6) .
C13 N1 C17 C18 177.6(7) .
Pd1 N1 C17 C18 -11.2(8) .
C19 N2 C18 C17 -126.5(7) .
Pd1 N2 C18 C17 11.6(8) .
C16 C17 C18 N2 178.1(7) .
N1 C17 C18 N2 -0.8(10) .
C18 N2 C19 C24 -110.9(8) .
Pd1 N2 C19 C24 116.9(7) .
C18 N2 C19 C20 70.5(9) .
Pd1 N2 C19 C20 -61.7(9) .
C24 C19 C20 C21 3.8(12) .
N2 C19 C20 C21 -177.6(7) .
C24 C19 C20 C25 -177.2(8) .
N2 C19 C20 C25 1.3(12) .
C19 C20 C21 C22 -1.7(13) .
C25 C20 C21 C22 179.3(8) .
C20 C21 C22 C23 -2.1(13) .
C20 C21 C22 C26 178.5(8) .
C21 C22 C23 C24 4.0(13) .
C26 C22 C23 C24 -176.6(8) .
C20 C19 C24 C23 -2.1(12) .
N2 C19 C24 C23 179.4(7) .
C20 C19 C24 C27 177.1(8) .
N2 C19 C24 C27 -1.4(12) .
C22 C23 C24 C19 -2.0(12) .
C22 C23 C24 C27 178.8(8) .
Pd1 O2 C28 O3 2.7(15) .
Pd1 O2 C28 C29 -175.1(7) .
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1 PubChem 139160243
