#------------------------------------------------------------------------------
#$Date: 2026-03-26 01:13:02 +0100 (Thu 26 de Mar de 2026) $
#$Revision: 305180 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/07/7720749.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_7720749
loop_
_publ_author_name
'Botter, Eleonora'
'Lauteri, Valentina'
'Rubbi, Alessandro'
'Orian, Laura'
'Forner, Matteo'
'Gandin, Valentina'
'Demitri, Nicola'
'Canzonieri, Vincenzo'
'Rizzolio, Flavio'
'Cavarzerani, Enrico'
'Visentin, Fabiano'
'Scattolin, Thomas'
_publ_section_title
;
 Insertion of SnCl₂ into the Pd--Cl Bond: Mechanistic Elucidation
 and Antitumor Evaluation of Trichlorostannyl Palladium-NHC Allyl
 Complexes in Ovarian Cancer Models
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00680A
_journal_year                    2026
_chemical_formula_moiety         'C30 H41 Cl3 N2 Pd Sn, C H2 Cl2'
_chemical_formula_sum            'C31 H43 Cl5 N2 Pd Sn'
_chemical_formula_weight         846.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-12-01 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5410(19)
_cell_length_b                   19.387(4)
_cell_length_c                   19.905(4)
_cell_measurement_reflns_used    52300
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      31.103
_cell_measurement_theta_min      1.833
_cell_volume                     3681.9(13)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_collection       'Elettra XRD2 Data Collection SW'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_molecular_graphics    'Ortep3 for Windows - Coot'
_computing_publication_material  'enCIFer - publCIF'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type
;
'Arinax MD2s Goniometer, Pilatus 6M detector'
;
_diffrn_measurement_method       'Rotating crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.620
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            85993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        21.839
_diffrn_reflns_theta_max         31.103
_diffrn_reflns_theta_min         1.833
_diffrn_source                   'Elettra Synchrotron - XRD2 BL'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.056
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       'Thick blocks'
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.0073(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/3 (Sheldrick 2015)'
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         8717
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0276
_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)+(0.0429P)²+1.1544P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0806
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8245
_reflns_number_total             8717
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00680a2.cif
_cod_data_source_block           VL2MT
_cod_database_code               7720749
_shelx_shelxl_version_number     2019/3
_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   0.902
_shelx_estimated_absorpt_t_max   0.979
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, 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
Pd_11 Pd 0.79644(2) 0.35067(2) 0.250000 0.03120(4) Uani 1 2 d S T P . .
C13_12 C 0.64399(12) 0.45437(6) 0.37338(5) 0.03220(19) Uani 1 1 d . . . . .
C14_12 C 0.56719(14) 0.40669(7) 0.41140(6) 0.0362(2) Uani 1 1 d . . . . .
C15_12 C 0.60089(19) 0.40108(9) 0.47945(7) 0.0490(3) Uani 1 1 d . . . . .
H15_12 H 0.550788 0.369408 0.506835 0.059 Uiso 1 1 calc R U . . .
C16_12 C 0.7059(2) 0.44081(11) 0.50772(8) 0.0610(5) Uani 1 1 d . . . . .
H16_12 H 0.726750 0.436423 0.554191 0.073 Uiso 1 1 calc R U . . .
C17_12 C 0.78043(19) 0.48667(10) 0.46882(8) 0.0552(4) Uani 1 1 d . . . . .
H17_12 H 0.853461 0.512990 0.488709 0.066 Uiso 1 1 calc R U . . .
C18_12 C 0.75056(15) 0.49518(7) 0.40077(6) 0.0405(2) Uani 1 1 d . . . . .
N2_12 N 0.60687(10) 0.46562(5) 0.30380(4) 0.02989(15) Uani 1 1 d . . . . .
C1_12 C 0.66054(15) 0.43188(8) 0.250000 0.0273(2) Uani 1 2 d S T P A .
C21A_12 C 0.7705(3) 0.62187(11) 0.37760(14) 0.0792(7) Uani 1 1 d . . . . .
H21A_12 H 0.670280 0.623655 0.366850 0.119 Uiso 1 1 calc R U . . .
H21B_12 H 0.820486 0.656640 0.351101 0.119 Uiso 1 1 calc R U . . .
H21C_12 H 0.783848 0.631236 0.425554 0.119 Uiso 1 1 calc R U . . .
C20A_12 C 0.9861(2) 0.54835(17) 0.37379(14) 0.0853(8) Uani 1 1 d . . . . .
H20A_12 H 1.032291 0.582463 0.344982 0.128 Uiso 1 1 calc R U . . .
H20B_12 H 1.023033 0.502323 0.363737 0.128 Uiso 1 1 calc R U . . .
H20C_12 H 1.004182 0.559495 0.421022 0.128 Uiso 1 1 calc R U . . .
C19A_12 C 0.82834(18) 0.54954(10) 0.36073(8) 0.0524(4) Uani 1 1 d . . . . .
H19A_12 H 0.812182 0.540546 0.311872 0.063 Uiso 1 1 calc R U . . .
C3_12 C 0.52172(13) 0.51994(7) 0.28395(6) 0.0364(2) Uani 1 1 d . . . . .
H3_12 H 0.472978 0.551039 0.312496 0.044 Uiso 1 1 calc R U . . .
C19B_12 C 0.45046(18) 0.36448(8) 0.38105(7) 0.0460(3) Uani 1 1 d . . . . .
H19B_12 H 0.478008 0.353150 0.333849 0.055 Uiso 1 1 calc R U . . .
C20B_12 C 0.4245(3) 0.29677(10) 0.41749(10) 0.0680(6) Uani 1 1 d . . . . .
H20D_12 H 0.512666 0.271085 0.421026 0.102 Uiso 1 1 calc R U . . .
H20E_12 H 0.356018 0.269346 0.392334 0.102 Uiso 1 1 calc R U . . .
H20F_12 H 0.388116 0.306229 0.462596 0.102 Uiso 1 1 calc R U . . .
C21B_12 C 0.3131(2) 0.40519(15) 0.37803(15) 0.0794(7) Uani 1 1 d . . . . .
H21D_12 H 0.278890 0.413463 0.423746 0.119 Uiso 1 1 calc R U . . .
H21E_12 H 0.243134 0.378713 0.352861 0.119 Uiso 1 1 calc R U . . .
H21F_12 H 0.329436 0.449441 0.355563 0.119 Uiso 1 1 calc R U . . .
C19_13 C 0.9887(3) 0.4039(2) 0.2751(2) 0.0667(11) Uani 0.5 1 d D . P A -1
H19A_13 H 1.006051 0.448294 0.252039 0.080 Uiso 0.5 1 calc R U P A -1
H19B_13 H 1.016232 0.404001 0.323093 0.080 Uiso 0.5 1 calc R U P A -1
C21_13 C 1.0182(3) 0.3438(2) 0.2386(6) 0.072(3) Uani 0.5 1 d D . P A -1
H21_13 H 1.068568 0.346362 0.197524 0.086 Uiso 0.5 1 calc R U P A -1
C20_13 C 0.9728(3) 0.27982(18) 0.2632(3) 0.0644(17) Uani 0.5 1 d D . P A -1
H20A_13 H 0.999128 0.268267 0.310011 0.077 Uiso 0.5 1 calc R U P A -1
H20B_13 H 0.978095 0.240212 0.231947 0.077 Uiso 0.5 1 calc R U P A -1
Sn_21 Sn 0.64523(2) 0.24273(2) 0.250000 0.03670(4) Uani 1 2 d S T P A .
Cl_22 Cl 0.39874(6) 0.22940(3) 0.250000 0.04983(11) Uani 1 2 d S T P . .
Cl_23 Cl 0.69319(6) 0.16500(2) 0.15939(3) 0.06483(13) Uani 1 1 d . . . . .
C1_31 C 0.8800(6) 0.250000 0.500000 0.1116(18) Uani 1 2 d S TU P . .
H1A_31 H 0.819258 0.222529 0.469828 0.134 Uiso 0.5 1 calc R U P . .
H1B_31 H 0.819260 0.277472 0.530172 0.134 Uiso 0.5 1 calc R U P . .
Cl1_31 Cl 0.9858(2) 0.30419(9) 0.45319(7) 0.1734(6) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0020 0.0012 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0042 0.0025 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1198 0.1216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.8908 1.1200 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -1.3766 0.7904 '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'
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
C1_12 Pd_11 C21_13 132.79(11) . . ?
C1_12 Pd_11 C19_13 99.85(11) . . ?
C21_13 Pd_11 C19_13 38.08(19) . . ?
C1_12 Pd_11 C20_13 166.77(13) . . ?
C21_13 Pd_11 C20_13 37.84(15) . . ?
C19_13 Pd_11 C20_13 67.62(14) . . ?
C1_12 Pd_11 Sn_21 105.94(4) . . ?
C21_13 Pd_11 Sn_21 120.77(10) . . ?
C19_13 Pd_11 Sn_21 150.92(11) . . ?
C20_13 Pd_11 Sn_21 85.39(10) . . ?
C18_12 C13_12 C14_12 122.85(11) . . ?
C18_12 C13_12 N2_12 117.78(10) . . ?
C14_12 C13_12 N2_12 119.25(10) . . ?
C15_12 C14_12 C13_12 117.05(12) . . ?
C15_12 C14_12 C19B_12 121.09(12) . . ?
C13_12 C14_12 C19B_12 121.84(11) . . ?
C16_12 C15_12 C14_12 121.19(14) . . ?
C16_12 C15_12 H15_12 119.4 . . ?
C14_12 C15_12 H15_12 119.4 . . ?
C17_12 C16_12 C15_12 120.33(14) . . ?
C17_12 C16_12 H16_12 119.8 . . ?
C15_12 C16_12 H16_12 119.8 . . ?
C16_12 C17_12 C18_12 121.15(15) . . ?
C16_12 C17_12 H17_12 119.4 . . ?
C18_12 C17_12 H17_12 119.4 . . ?
C17_12 C18_12 C13_12 117.42(13) . . ?
C17_12 C18_12 C19A_12 119.55(13) . . ?
C13_12 C18_12 C19A_12 122.97(11) . . ?
C1_12 N2_12 C3_12 111.26(9) . . ?
C1_12 N2_12 C13_12 126.26(10) . . ?
C3_12 N2_12 C13_12 122.04(9) . . ?
N2_12 C1_12 N2_12 104.39(13) . 6_556 ?
N2_12 C1_12 Pd_11 127.79(6) . . ?
N2_12 C1_12 Pd_11 127.79(6) 6_556 . ?
C19A_12 C21A_12 H21A_12 109.5 . . ?
C19A_12 C21A_12 H21B_12 109.5 . . ?
H21A_12 C21A_12 H21B_12 109.5 . . ?
C19A_12 C21A_12 H21C_12 109.5 . . ?
H21A_12 C21A_12 H21C_12 109.5 . . ?
H21B_12 C21A_12 H21C_12 109.5 . . ?
C19A_12 C20A_12 H20A_12 109.5 . . ?
C19A_12 C20A_12 H20B_12 109.5 . . ?
H20A_12 C20A_12 H20B_12 109.5 . . ?
C19A_12 C20A_12 H20C_12 109.5 . . ?
H20A_12 C20A_12 H20C_12 109.5 . . ?
H20B_12 C20A_12 H20C_12 109.5 . . ?
C18_12 C19A_12 C20A_12 112.49(16) . . ?
C18_12 C19A_12 C21A_12 110.00(17) . . ?
C20A_12 C19A_12 C21A_12 109.2(2) . . ?
C18_12 C19A_12 H19A_12 108.3 . . ?
C20A_12 C19A_12 H19A_12 108.3 . . ?
C21A_12 C19A_12 H19A_12 108.3 . . ?
C3_12 C3_12 N2_12 106.54(6) 6_556 . ?
C3_12 C3_12 H3_12 126.7 6_556 . ?
N2_12 C3_12 H3_12 126.7 . . ?
C14_12 C19B_12 C20B_12 113.43(15) . . ?
C14_12 C19B_12 C21B_12 111.60(15) . . ?
C20B_12 C19B_12 C21B_12 108.94(17) . . ?
C14_12 C19B_12 H19B_12 107.5 . . ?
C20B_12 C19B_12 H19B_12 107.5 . . ?
C21B_12 C19B_12 H19B_12 107.5 . . ?
C19B_12 C20B_12 H20D_12 109.5 . . ?
C19B_12 C20B_12 H20E_12 109.5 . . ?
H20D_12 C20B_12 H20E_12 109.5 . . ?
C19B_12 C20B_12 H20F_12 109.5 . . ?
H20D_12 C20B_12 H20F_12 109.5 . . ?
H20E_12 C20B_12 H20F_12 109.5 . . ?
C19B_12 C21B_12 H21D_12 109.5 . . ?
C19B_12 C21B_12 H21E_12 109.5 . . ?
H21D_12 C21B_12 H21E_12 109.5 . . ?
C19B_12 C21B_12 H21F_12 109.5 . . ?
H21D_12 C21B_12 H21F_12 109.5 . . ?
H21E_12 C21B_12 H21F_12 109.5 . . ?
C21_13 C19_13 Pd_11 69.75(18) . . ?
C21_13 C19_13 H19A_13 116.7 . . ?
Pd_11 C19_13 H19A_13 116.7 . . ?
C21_13 C19_13 H19B_13 116.7 . . ?
Pd_11 C19_13 H19B_13 116.7 . . ?
H19A_13 C19_13 H19B_13 113.7 . . ?
C19_13 C21_13 C20_13 119.5(8) . . ?
C19_13 C21_13 Pd_11 72.2(2) . . ?
C20_13 C21_13 Pd_11 73.2(2) . . ?
C19_13 C21_13 H21_13 120.3 . . ?
C20_13 C21_13 H21_13 120.3 . . ?
Pd_11 C21_13 H21_13 126.2 . . ?
C21_13 C20_13 Pd_11 68.92(17) . . ?
C21_13 C20_13 H20A_13 116.8 . . ?
Pd_11 C20_13 H20A_13 116.8 . . ?
C21_13 C20_13 H20B_13 116.8 . . ?
Pd_11 C20_13 H20B_13 116.8 . . ?
H20A_13 C20_13 H20B_13 113.8 . . ?
Cl_22 Sn_21 Cl_23 96.963(18) . 6_556 ?
Cl_22 Sn_21 Cl_23 96.964(18) . . ?
Cl_23 Sn_21 Cl_23 97.75(3) 6_556 . ?
Cl_22 Sn_21 Pd_11 130.853(18) . . ?
Cl_23 Sn_21 Pd_11 114.184(16) 6_556 . ?
Cl_23 Sn_21 Pd_11 114.183(16) . . ?
Cl1_31 C1_31 Cl1_31 108.6(3) . 4_556 ?
Cl1_31 C1_31 H1A_31 110.0 . . ?
Cl1_31 C1_31 H1A_31 110.0 4_556 . ?
Cl1_31 C1_31 H1B_31 110.0 . . ?
Cl1_31 C1_31 H1B_31 110.0 4_556 . ?
H1A_31 C1_31 H1B_31 108.4 . . ?
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
Pd_11 C1_12 2.0396(15) . ?
Pd_11 C21_13 2.132(3) . ?
Pd_11 C19_13 2.163(3) . ?
Pd_11 C20_13 2.188(3) . ?
Pd_11 Sn_21 2.5418(4) . ?
C13_12 C18_12 1.3989(18) . ?
C13_12 C14_12 1.4017(17) . ?
C13_12 N2_12 1.4461(14) . ?
C14_12 C15_12 1.3964(18) . ?
C14_12 C19B_12 1.508(2) . ?
C15_12 C16_12 1.384(3) . ?
C15_12 H15_12 0.9500 . ?
C16_12 C17_12 1.377(2) . ?
C16_12 H16_12 0.9500 . ?
C17_12 C18_12 1.3940(19) . ?
C17_12 H17_12 0.9500 . ?
C18_12 C19A_12 1.516(2) . ?
N2_12 C1_12 1.3553(13) . ?
N2_12 C3_12 1.3875(15) . ?
C21A_12 C19A_12 1.544(3) . ?
C21A_12 H21A_12 0.9800 . ?
C21A_12 H21B_12 0.9800 . ?
C21A_12 H21C_12 0.9800 . ?
C20A_12 C19A_12 1.528(3) . ?
C20A_12 H20A_12 0.9800 . ?
C20A_12 H20B_12 0.9800 . ?
C20A_12 H20C_12 0.9800 . ?
C19A_12 H19A_12 1.0000 . ?
C3_12 C3_12 1.352(2) 6_556 ?
C3_12 H3_12 0.9500 . ?
C19B_12 C20B_12 1.520(2) . ?
C19B_12 C21B_12 1.531(3) . ?
C19B_12 H19B_12 1.0000 . ?
C20B_12 H20D_12 0.9800 . ?
C20B_12 H20E_12 0.9800 . ?
C20B_12 H20F_12 0.9800 . ?
C21B_12 H21D_12 0.9800 . ?
C21B_12 H21E_12 0.9800 . ?
C21B_12 H21F_12 0.9800 . ?
C19_13 C21_13 1.402(7) . ?
C19_13 H19A_13 0.9900 . ?
C19_13 H19B_13 0.9900 . ?
C21_13 C20_13 1.402(6) . ?
C21_13 H21_13 0.9500 . ?
C20_13 H20A_13 0.9900 . ?
C20_13 H20B_13 0.9900 . ?
Sn_21 Cl_22 2.3660(7) . ?
Sn_21 Cl_23 2.3944(5) 6_556 ?
Sn_21 Cl_23 2.3944(5) . ?
C1_31 Cl1_31 1.729(3) . ?
C1_31 Cl1_31 1.730(3) 4_556 ?
C1_31 H1A_31 0.9900 . ?
C1_31 H1B_31 0.9900 . ?
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
C18_12 C13_12 C14_12 C15_12 0.2(2) . . . . ?
N2_12 C13_12 C14_12 C15_12 -175.78(13) . . . . ?
C18_12 C13_12 C14_12 C19B_12 178.54(14) . . . . ?
N2_12 C13_12 C14_12 C19B_12 2.58(19) . . . . ?
C13_12 C14_12 C15_12 C16_12 -0.2(3) . . . . ?
C19B_12 C14_12 C15_12 C16_12 -178.61(18) . . . . ?
C14_12 C15_12 C16_12 C17_12 -0.4(3) . . . . ?
C15_12 C16_12 C17_12 C18_12 1.2(3) . . . . ?
C16_12 C17_12 C18_12 C13_12 -1.2(3) . . . . ?
C16_12 C17_12 C18_12 C19A_12 176.0(2) . . . . ?
C14_12 C13_12 C18_12 C17_12 0.5(2) . . . . ?
N2_12 C13_12 C18_12 C17_12 176.55(14) . . . . ?
C14_12 C13_12 C18_12 C19A_12 -176.53(15) . . . . ?
N2_12 C13_12 C18_12 C19A_12 -0.5(2) . . . . ?
C18_12 C13_12 N2_12 C1_12 92.46(16) . . . . ?
C14_12 C13_12 N2_12 C1_12 -91.38(15) . . . . ?
C18_12 C13_12 N2_12 C3_12 -79.25(15) . . . . ?
C14_12 C13_12 N2_12 C3_12 96.92(15) . . . . ?
C3_12 N2_12 C1_12 N2_12 -0.42(16) . . . 6_556 ?
C13_12 N2_12 C1_12 N2_12 -172.88(7) . . . 6_556 ?
C3_12 N2_12 C1_12 Pd_11 177.79(10) . . . . ?
C13_12 N2_12 C1_12 Pd_11 5.33(19) . . . . ?
C17_12 C18_12 C19A_12 C20A_12 46.1(3) . . . . ?
C13_12 C18_12 C19A_12 C20A_12 -136.9(2) . . . . ?
C17_12 C18_12 C19A_12 C21A_12 -75.9(2) . . . . ?
C13_12 C18_12 C19A_12 C21A_12 101.13(19) . . . . ?
C1_12 N2_12 C3_12 C3_12 0.27(11) . . . 6_556 ?
C13_12 N2_12 C3_12 C3_12 173.10(8) . . . 6_556 ?
C15_12 C14_12 C19B_12 C20B_12 -27.4(2) . . . . ?
C13_12 C14_12 C19B_12 C20B_12 154.35(14) . . . . ?
C15_12 C14_12 C19B_12 C21B_12 96.1(2) . . . . ?
C13_12 C14_12 C19B_12 C21B_12 -82.15(19) . . . . ?
Pd_11 C19_13 C21_13 C20_13 -58.0(4) . . . . ?
C19_13 C21_13 C20_13 Pd_11 57.5(4) . . . . ?
