#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:13:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179099 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/61/4306101.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_4306101
loop_
_publ_author_name
'Darko Babić'
'Manda Ćurić'
'Krešimir Molčanov'
'Gregor Ilc'
'Janez Plavec'
_publ_contact_author_address
;
Institute Rudjer Boskovic
Bijenicka 54
HR-10002 Zagreb
Croatia
;
_publ_contact_author_email       dbabic@irb.hr
_publ_contact_author_fax         385(1)4680245
_publ_contact_author_name        'Darko Babic'
_publ_contact_author_phone       385(1)4651013
_publ_section_title
;
Synthesis and Characterization of Dicyclopalladated Complexes of Azobenzene
Derivatives by Experimental and Computational Methods
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10446
_journal_page_last               10454
_journal_paper_doi               10.1021/ic8010234
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C20 H26 Cl2 N6 O4 Pd2'
_chemical_formula_sum            'C20 H26 Cl2 N6 O4 Pd2'
_chemical_formula_weight         698.21
_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'
_audit_creation_date             2007-11-22T10:40:40-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 114.600(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1137(8)
_cell_length_b                   14.1118(6)
_cell_length_c                   13.8309(7)
_cell_measurement_reflns_used    5824
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.9382
_cell_measurement_theta_min      3.1234
_cell_volume                     2504.7(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.4323
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Oxford Xcalibur Nova R'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14813
_diffrn_reflns_theta_full        75.9382
_diffrn_reflns_theta_max         75.9382
_diffrn_reflns_theta_min         3.1234
_exptl_absorpt_coefficient_mu    13.886
_exptl_absorpt_correction_T_max  0.66000
_exptl_absorpt_correction_T_min  0.15437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.11 (release 31-10-2007 CrysAlis171 .NET)
(compiled Oct 31 2007,17:16:07)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.418
_refine_diff_density_min         -0.549
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0906P)²+3.3022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.173
_reflns_number_gt                3700
_reflns_number_total             5078
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8010234_si_002_5.cif
_cod_data_source_block           4a
_cod_database_code               4306101
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
N4 N 0.3398(6) 0.1286(5) -0.1658(5) 0.0762(17) Uani 1 d . . .
O2 O 0.2453(5) 0.1335(5) -0.2055(4) 0.0941(18) Uani 1 d . . .
N3 N 0.6967(5) 0.1427(5) 0.7582(5) 0.0732(16) Uani 1 d . . .
O1 O 0.3899(5) 0.1283(6) -0.2194(4) 0.112(2) Uani 1 d . . .
N5 N 0.8962(4) 0.0503(5) 0.2056(4) 0.0746(16) Uani 1 d . . .
N6 N 0.1526(5) 0.1762(5) 0.4039(5) 0.0854(19) Uani 1 d . . .
C14 C 0.8100(7) 0.1504(7) 0.8107(6) 0.085(2) Uani 1 d . . .
H14A H 0.8316 0.156 0.8861 0.128 Uiso 1 calc R . .
H14B H 0.832 0.2054 0.7848 0.128 Uiso 1 calc R . .
H14C H 0.8408 0.0948 0.7957 0.128 Uiso 1 calc R . .
C15 C 0.8526(6) 0.0540(6) 0.2728(5) 0.0743(19) Uani 1 d . . .
H15 H 0.8793 0.0153 0.3326 0.089 Uiso 1 calc R . .
C13 C 0.6435(7) 0.1382(6) 0.8281(6) 0.078(2) Uani 1 d . . .
H13A H 0.6932 0.146 0.9005 0.117 Uiso 1 calc R . .
H13B H 0.6097 0.0779 0.8202 0.117 Uiso 1 calc R . .
H13C H 0.5924 0.1878 0.8099 0.117 Uiso 1 calc R . .
C17 C 0.8571(9) 0.1088(8) 0.1085(7) 0.109(3) Uani 1 d . . .
H17A H 0.8986 0.0974 0.0696 0.163 Uiso 1 calc R . .
H17B H 0.8615 0.1745 0.1277 0.163 Uiso 1 calc R . .
H17C H 0.7859 0.0925 0.0651 0.163 Uiso 1 calc R . .
C18 C 0.1872(6) 0.1645(6) 0.3294(7) 0.080(2) Uani 1 d . . .
H18 H 0.1477 0.1906 0.2629 0.097 Uiso 1 calc R . .
C16 C 0.9802(6) -0.0141(8) 0.2205(7) 0.097(3) Uani 1 d . . .
H16A H 1.0018 -0.0062 0.1637 0.146 Uiso 1 calc R . .
H16B H 0.957 -0.0781 0.2205 0.146 Uiso 1 calc R . .
H16C H 1.0378 -0.001 0.2872 0.146 Uiso 1 calc R . .
C19 C 0.0565(7) 0.2253(8) 0.3831(8) 0.111(3) Uani 1 d . . .
H19A H 0.0444 0.2261 0.4464 0.166 Uiso 1 calc R . .
H19B H -0.0001 0.1934 0.3274 0.166 Uiso 1 calc R . .
H19C H 0.0611 0.2892 0.3616 0.166 Uiso 1 calc R . .
C20 C 0.2094(10) 0.1353(8) 0.5095(8) 0.120(4) Uani 1 d . . .
H20A H 0.1737 0.15 0.5534 0.179 Uiso 1 calc R . .
H20B H 0.2785 0.1613 0.5409 0.179 Uiso 1 calc R . .
H20C H 0.2134 0.0678 0.5035 0.179 Uiso 1 calc R . .
Pd2 Pd 0.33242(4) 0.11587(4) 0.22467(4) 0.06123(19) Uani 1 d . . .
Pd1 Pd 0.70970(4) 0.11797(4) 0.37538(4) 0.06088(19) Uani 1 d . . .
Cl1 Cl 0.87903(16) 0.12674(19) 0.50295(16) 0.0941(7) Uani 1 d . . .
Cl2 Cl 0.16418(17) 0.09907(19) 0.09848(17) 0.0925(7) Uani 1 d . . .
N1 N 0.4893(4) 0.1190(4) 0.3238(4) 0.0577(12) Uani 1 d . . .
C8 C 0.3923(5) 0.1170(4) 0.1196(5) 0.0576(14) Uani 1 d . . .
N2 N 0.5532(5) 0.1173(4) 0.2751(4) 0.0608(13) Uani 1 d . . .
C1 C 0.5385(6) 0.1225(4) 0.4308(5) 0.0622(16) Uani 1 d . . .
O3 O 0.7777(4) 0.1063(4) 0.2611(4) 0.0825(16) Uani 1 d . . .
C10 C 0.3962(6) 0.1252(5) -0.0500(5) 0.0643(16) Uani 1 d . . .
C2 C 0.6490(6) 0.1256(5) 0.4766(5) 0.0614(16) Uani 1 d . . .
O4 O 0.2669(5) 0.1223(4) 0.3407(4) 0.0874(17) Uani 1 d . . .
C11 C 0.5036(6) 0.1266(6) -0.0059(6) 0.074(2) Uani 1 d . . .
H11 H 0.5392 0.1293 -0.0493 0.089 Uiso 1 calc R . .
C7 C 0.5005(6) 0.1183(4) 0.1648(5) 0.0589(15) Uani 1 d . . .
C12 C 0.5574(6) 0.1239(5) 0.1026(6) 0.075(2) Uani 1 d . . .
H12 H 0.6298 0.1257 0.1342 0.09 Uiso 1 calc R . .
C4 C 0.6451(6) 0.1338(5) 0.6513(6) 0.0662(17) Uani 1 d . . .
C6 C 0.4832(6) 0.1204(5) 0.4961(6) 0.073(2) Uani 1 d . . .
H6 H 0.4109 0.1153 0.4656 0.088 Uiso 1 calc R . .
C3 C 0.7002(6) 0.1322(5) 0.5862(5) 0.0691(18) Uani 1 d . . .
H3 H 0.7726 0.1357 0.6177 0.083 Uiso 1 calc R . .
C9 C 0.3403(6) 0.1210(5) 0.0101(5) 0.0675(17) Uani 1 d . . .
H9 H 0.2679 0.1208 -0.0223 0.081 Uiso 1 calc R . .
C5 C 0.5361(6) 0.1257(6) 0.6031(6) 0.075(2) Uani 1 d . . .
H5 H 0.4994 0.1241 0.6455 0.091 Uiso 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.148 0.159 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.006 0.003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.999 1.007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.125 0.123 '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
O2 N4 O1 122.0(7) . . ?
O2 N4 C10 119.4(6) . . ?
O1 N4 C10 118.5(7) . . ?
C4 N3 C13 122.1(7) . . ?
C4 N3 C14 121.9(6) . . ?
C13 N3 C14 115.8(6) . . ?
C15 N5 C16 121.7(7) . . ?
C15 N5 C17 121.1(7) . . ?
C16 N5 C17 117.2(6) . . ?
C18 N6 C19 121.8(8) . . ?
C18 N6 C20 120.2(7) . . ?
C19 N6 C20 118.0(7) . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O3 C15 N5 123.7(7) . . ?
O3 C15 H15 118.1 . . ?
N5 C15 H15 118.1 . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C17 H17A 109.5 . . ?
N5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O4 C18 N6 125.4(8) . . ?
O4 C18 H18 117.3 . . ?
N6 C18 H18 117.3 . . ?
N5 C16 H16A 109.5 . . ?
N5 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N5 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N6 C19 H19A 109.5 . . ?
N6 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N6 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N6 C20 H20A 109.5 . . ?
N6 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N6 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C8 Pd2 N1 79.5(2) . . ?
C8 Pd2 O4 177.1(2) . . ?
N1 Pd2 O4 100.3(2) . . ?
C8 Pd2 Cl2 93.8(2) . . ?
N1 Pd2 Cl2 171.79(15) . . ?
O4 Pd2 Cl2 86.69(17) . . ?
C2 Pd1 N2 79.2(3) . . ?
C2 Pd1 O3 178.8(3) . . ?
N2 Pd1 O3 100.6(2) . . ?
C2 Pd1 Cl1 94.2(2) . . ?
N2 Pd1 Cl1 173.01(15) . . ?
O3 Pd1 Cl1 85.98(15) . . ?
N2 N1 C1 114.1(6) . . ?
N2 N1 Pd2 115.4(4) . . ?
C1 N1 Pd2 130.5(4) . . ?
C9 C8 C7 118.4(6) . . ?
C9 C8 Pd2 128.0(5) . . ?
C7 C8 Pd2 113.5(5) . . ?
N1 N2 C7 112.9(6) . . ?
N1 N2 Pd1 114.9(4) . . ?
C7 N2 Pd1 132.2(4) . . ?
N1 C1 C2 117.3(6) . . ?
N1 C1 C6 122.0(7) . . ?
C2 C1 C6 120.7(6) . . ?
C15 O3 Pd1 124.1(5) . . ?
C9 C10 C11 122.7(7) . . ?
C9 C10 N4 118.6(7) . . ?
C11 C10 N4 118.7(6) . . ?
C3 C2 C1 117.8(6) . . ?
C3 C2 Pd1 127.8(5) . . ?
C1 C2 Pd1 114.4(5) . . ?
C18 O4 Pd2 125.4(5) . . ?
C12 C11 C10 119.3(6) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C8 C7 N2 118.7(5) . . ?
C8 C7 C12 121.8(6) . . ?
N2 C7 C12 119.4(6) . . ?
C11 C12 C7 118.4(7) . . ?
C11 C12 H12 120.8 . . ?
C7 C12 H12 120.8 . . ?
N3 C4 C5 120.7(6) . . ?
N3 C4 C3 120.6(7) . . ?
C5 C4 C3 118.7(7) . . ?
C5 C6 C1 119.7(7) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C2 C3 C4 121.6(7) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C10 C9 C8 119.4(7) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C6 C5 C4 121.3(6) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
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
N4 O2 1.216(9) . ?
N4 O1 1.219(9) . ?
N4 C10 1.463(9) . ?
N3 C4 1.355(9) . ?
N3 C13 1.451(8) . ?
N3 C14 1.459(10) . ?
N5 C15 1.311(8) . ?
N5 C16 1.440(10) . ?
N5 C17 1.474(10) . ?
N6 C18 1.321(9) . ?
N6 C19 1.442(11) . ?
N6 C20 1.461(12) . ?
C14 H14A 0.96 . ?
C14 H14B 0.96 . ?
C14 H14C 0.96 . ?
C15 O3 1.244(9) . ?
C15 H15 0.93 . ?
C13 H13A 0.96 . ?
C13 H13B 0.96 . ?
C13 H13C 0.96 . ?
C17 H17A 0.96 . ?
C17 H17B 0.96 . ?
C17 H17C 0.96 . ?
C18 O4 1.225(9) . ?
C18 H18 0.93 . ?
C16 H16A 0.96 . ?
C16 H16B 0.96 . ?
C16 H16C 0.96 . ?
C19 H19A 0.96 . ?
C19 H19B 0.96 . ?
C19 H19C 0.96 . ?
C20 H20A 0.96 . ?
C20 H20B 0.96 . ?
C20 H20C 0.96 . ?
Pd2 C8 1.962(6) . ?
Pd2 N1 2.064(6) . ?
Pd2 O4 2.162(5) . ?
Pd2 Cl2 2.300(2) . ?
Pd1 C2 1.924(7) . ?
Pd1 N2 2.062(6) . ?
Pd1 O3 2.170(5) . ?
Pd1 Cl1 2.308(2) . ?
N1 N2 1.332(8) . ?
N1 C1 1.349(8) . ?
C8 C9 1.381(9) . ?
C8 C7 1.389(10) . ?
N2 C7 1.391(8) . ?
C1 C2 1.419(10) . ?
C1 C6 1.419(9) . ?
C10 C9 1.365(9) . ?
C10 C11 1.378(11) . ?
C2 C3 1.384(9) . ?
C11 C12 1.373(10) . ?
C11 H11 0.93 . ?
C7 C12 1.402(9) . ?
C12 H12 0.93 . ?
C4 C5 1.404(11) . ?
C4 C3 1.414(9) . ?
C6 C5 1.354(10) . ?
C6 H6 0.93 . ?
C3 H3 0.93 . ?
C9 H9 0.93 . ?
C5 H5 0.93 . ?
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
C16 N5 C15 O3 -177.5(8) . . . . ?
C17 N5 C15 O3 -0.7(13) . . . . ?
C19 N6 C18 O4 -178.7(9) . . . . ?
C20 N6 C18 O4 -1.4(14) . . . . ?
C8 Pd2 N1 N2 -1.9(4) . . . . ?
O4 Pd2 N1 N2 -179.0(4) . . . . ?
Cl2 Pd2 N1 N2 33.5(13) . . . . ?
C8 Pd2 N1 C1 178.0(6) . . . . ?
O4 Pd2 N1 C1 0.9(6) . . . . ?
Cl2 Pd2 N1 C1 -146.6(9) . . . . ?
N1 Pd2 C8 C9 -176.2(6) . . . . ?
O4 Pd2 C8 C9 -90(5) . . . . ?
Cl2 Pd2 C8 C9 8.5(6) . . . . ?
N1 Pd2 C8 C7 0.5(5) . . . . ?
O4 Pd2 C8 C7 86(5) . . . . ?
Cl2 Pd2 C8 C7 -174.7(4) . . . . ?
C1 N1 N2 C7 -177.1(6) . . . . ?
Pd2 N1 N2 C7 2.9(6) . . . . ?
C1 N1 N2 Pd1 1.1(7) . . . . ?
Pd2 N1 N2 Pd1 -178.9(2) . . . . ?
C2 Pd1 N2 N1 -2.1(4) . . . . ?
O3 Pd1 N2 N1 176.7(4) . . . . ?
Cl1 Pd1 N2 N1 -22.6(16) . . . . ?
C2 Pd1 N2 C7 175.7(6) . . . . ?
O3 Pd1 N2 C7 -5.5(6) . . . . ?
Cl1 Pd1 N2 C7 155.2(10) . . . . ?
N2 N1 C1 C2 1.0(8) . . . . ?
Pd2 N1 C1 C2 -178.9(4) . . . . ?
N2 N1 C1 C6 -177.1(6) . . . . ?
Pd2 N1 C1 C6 3.0(10) . . . . ?
N5 C15 O3 Pd1 -177.0(6) . . . . ?
C2 Pd1 O3 C15 -55(12) . . . . ?
N2 Pd1 O3 C15 -137.1(6) . . . . ?
Cl1 Pd1 O3 C15 45.2(6) . . . . ?
O2 N4 C10 C9 4.6(10) . . . . ?
O1 N4 C10 C9 -176.9(7) . . . . ?
O2 N4 C10 C11 -175.4(7) . . . . ?
O1 N4 C10 C11 3.1(11) . . . . ?
N1 C1 C2 C3 178.0(6) . . . . ?
C6 C1 C2 C3 -3.9(10) . . . . ?
N1 C1 C2 Pd1 -2.8(8) . . . . ?
C6 C1 C2 Pd1 175.3(5) . . . . ?
N2 Pd1 C2 C3 -178.4(7) . . . . ?
O3 Pd1 C2 C3 99(12) . . . . ?
Cl1 Pd1 C2 C3 -0.9(7) . . . . ?
N2 Pd1 C2 C1 2.5(5) . . . . ?
O3 Pd1 C2 C1 -80(12) . . . . ?
Cl1 Pd1 C2 C1 -180.0(5) . . . . ?
N6 C18 O4 Pd2 -173.1(6) . . . . ?
C8 Pd2 O4 C18 58(5) . . . . ?
N1 Pd2 O4 C18 143.7(7) . . . . ?
Cl2 Pd2 O4 C18 -40.7(7) . . . . ?
C9 C10 C11 C12 -0.2(12) . . . . ?
N4 C10 C11 C12 179.8(7) . . . . ?
C9 C8 C7 N2 178.0(6) . . . . ?
Pd2 C8 C7 N2 0.9(8) . . . . ?
C9 C8 C7 C12 0.3(10) . . . . ?
Pd2 C8 C7 C12 -176.8(5) . . . . ?
N1 N2 C7 C8 -2.5(8) . . . . ?
Pd1 N2 C7 C8 179.7(4) . . . . ?
N1 N2 C7 C12 175.3(6) . . . . ?
Pd1 N2 C7 C12 -2.5(9) . . . . ?
C10 C11 C12 C7 1.0(12) . . . . ?
C8 C7 C12 C11 -1.1(11) . . . . ?
N2 C7 C12 C11 -178.8(7) . . . . ?
C13 N3 C4 C5 4.1(11) . . . . ?
C14 N3 C4 C5 179.5(7) . . . . ?
C13 N3 C4 C3 -175.7(7) . . . . ?
C14 N3 C4 C3 -0.4(11) . . . . ?
N1 C1 C6 C5 -178.9(7) . . . . ?
C2 C1 C6 C5 3.1(11) . . . . ?
C1 C2 C3 C4 1.4(11) . . . . ?
Pd1 C2 C3 C4 -177.7(5) . . . . ?
N3 C4 C3 C2 -178.3(7) . . . . ?
C5 C4 C3 C2 1.8(11) . . . . ?
C11 C10 C9 C8 -0.6(11) . . . . ?
N4 C10 C9 C8 179.5(6) . . . . ?
C7 C8 C9 C10 0.5(10) . . . . ?
Pd2 C8 C9 C10 177.2(5) . . . . ?
C1 C6 C5 C4 0.2(12) . . . . ?
N3 C4 C5 C6 177.5(7) . . . . ?
C3 C4 C5 C6 -2.7(12) . . . . ?
