#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:34:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180145 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/42/7104236.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_7104236
loop_
_publ_author_name
'Pucci, Daniela'
'Aiello, Iolinda'
'Aprea, Alessia'
'Bellusci, Anna'
'Crispini, Alessandra'
'Ghedini, Mauro'
_publ_section_title
;
 Unsuspected mesomorphism in "tail-free" cyclopalladated
 3,5-disubstituted-2-(2'-pyridyl)pyrroles.
;
_journal_issue                   12
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1550
_journal_page_last               1552
_journal_paper_doi               10.1039/b818603k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C16 H18 N2 O2 Pd'
_chemical_formula_sum            'C16 H18 N2 O2 Pd'
_chemical_formula_weight         376.72
_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                 106.117(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4226(13)
_cell_length_b                   12.8899(10)
_cell_length_c                   14.4266(10)
_cell_measurement_reflns_used    5626
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.22
_cell_volume                     3112.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31117
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    1.198
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         7682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0423P)²+1.4078P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                5626
_reflns_number_total             7682
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B818603K.txt
_cod_data_source_block           (3)
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      ' P 21/c '
_cod_database_code               7104236
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.470659(16) 0.89455(2) 0.380235(19) 0.04437(9) Uani 1 1 d . . .
Pd2 Pd 0.003451(15) 0.58791(2) 0.097017(18) 0.04352(9) Uani 1 1 d . . .
O1 O 0.57231(14) 0.97374(19) 0.42652(17) 0.0570(6) Uani 1 1 d . . .
O2 O 0.42866(14) 0.99106(18) 0.26883(16) 0.0548(6) Uani 1 1 d . . .
O3 O 0.10906(14) 0.51530(18) 0.13195(17) 0.0565(6) Uani 1 1 d . . .
O4 O -0.03935(15) 0.49863(18) 0.18421(17) 0.0563(6) Uani 1 1 d . . .
N1 N 0.50664(16) 0.7945(2) 0.49095(19) 0.0452(6) Uani 1 1 d . . .
N2 N 0.37774(16) 0.7979(2) 0.34784(19) 0.0453(6) Uani 1 1 d . . .
N3 N 0.03957(16) 0.6864(2) 0.01026(18) 0.0458(6) Uani 1 1 d . . .
N4 N -0.09488(16) 0.6742(2) 0.05422(19) 0.0458(6) Uani 1 1 d . . .
C1 C 0.5758(2) 0.8028(3) 0.5607(3) 0.0557(9) Uani 1 1 d . . .
H1A H 0.6094 0.8585 0.5594 0.067 Uiso 1 1 calc R . .
C2 C 0.5983(2) 0.7317(3) 0.6335(3) 0.0661(11) Uani 1 1 d . . .
H2A H 0.6469 0.7382 0.6805 0.079 Uiso 1 1 calc R . .
C3 C 0.5478(3) 0.6505(4) 0.6363(3) 0.0702(12) Uani 1 1 d . . .
H3A H 0.5620 0.6018 0.6857 0.084 Uiso 1 1 calc R . .
C4 C 0.4766(2) 0.6412(3) 0.5662(3) 0.0618(10) Uani 1 1 d . . .
H4A H 0.4422 0.5866 0.5682 0.074 Uiso 1 1 calc R . .
C5 C 0.4558(2) 0.7146(3) 0.4915(2) 0.0465(8) Uani 1 1 d . . .
C6 C 0.3853(2) 0.7149(2) 0.4116(2) 0.0438(7) Uani 1 1 d . . .
C7 C 0.3195(2) 0.6494(3) 0.3808(2) 0.0482(8) Uani 1 1 d . . .
C8 C 0.2717(2) 0.6935(3) 0.2956(2) 0.0491(8) Uani 1 1 d . . .
H8A H 0.2238 0.6668 0.2574 0.059 Uiso 1 1 calc R . .
C9 C 0.3088(2) 0.7849(3) 0.2782(2) 0.0486(8) Uani 1 1 d . . .
C10 C 0.3014(3) 0.5511(3) 0.4272(3) 0.0660(11) Uani 1 1 d . . .
H10A H 0.3462 0.5048 0.4380 0.099 Uiso 1 1 calc R . .
H10B H 0.2550 0.5185 0.3854 0.099 Uiso 1 1 calc R . .
H10C H 0.2913 0.5674 0.4877 0.099 Uiso 1 1 calc R . .
C11 C 0.2798(2) 0.8586(3) 0.1958(3) 0.0700(11) Uani 1 1 d . . .
H11A H 0.3166 0.9153 0.2026 0.105 Uiso 1 1 calc R . .
H11B H 0.2281 0.8847 0.1957 0.105 Uiso 1 1 calc R . .
H11C H 0.2759 0.8231 0.1362 0.105 Uiso 1 1 calc R . .
C12 C 0.6731(2) 1.0951(3) 0.4302(3) 0.0716(12) Uani 1 1 d . . .
H12A H 0.7047 1.0435 0.4717 0.107 Uiso 1 1 calc R . .
H12B H 0.6681 1.1550 0.4676 0.107 Uiso 1 1 calc R . .
H12C H 0.6987 1.1144 0.3818 0.107 Uiso 1 1 calc R . .
C13 C 0.5919(2) 1.0520(3) 0.3827(3) 0.0528(9) Uani 1 1 d . . .
C14 C 0.5448(2) 1.0959(3) 0.2990(3) 0.0571(10) Uani 1 1 d . . .
H14A H 0.5671 1.1507 0.2735 0.068 Uiso 1 1 calc R . .
C15 C 0.4684(2) 1.0674(3) 0.2493(2) 0.0524(9) Uani 1 1 d . . .
C16 C 0.4240(3) 1.1287(3) 0.1619(3) 0.0725(12) Uani 1 1 d . . .
H16A H 0.3684 1.1319 0.1593 0.109 Uiso 1 1 calc R . .
H16B H 0.4299 1.0955 0.1047 0.109 Uiso 1 1 calc R . .
H16C H 0.4455 1.1977 0.1661 0.109 Uiso 1 1 calc R . .
C17 C 0.1106(2) 0.6825(3) -0.0078(3) 0.0590(10) Uani 1 1 d . . .
H17A H 0.1456 0.6291 0.0193 0.071 Uiso 1 1 calc R . .
C18 C 0.1340(3) 0.7544(4) -0.0650(3) 0.0733(12) Uani 1 1 d . . .
H18A H 0.1843 0.7510 -0.0755 0.088 Uiso 1 1 calc R . .
C19 C 0.0810(3) 0.8314(3) -0.1061(3) 0.0711(11) Uani 1 1 d . . .
H19A H 0.0949 0.8806 -0.1456 0.085 Uiso 1 1 calc R . .
C20 C 0.0078(3) 0.8357(3) -0.0891(3) 0.0624(10) Uani 1 1 d . . .
H20A H -0.0280 0.8878 -0.1174 0.075 Uiso 1 1 calc R . .
C21 C -0.0138(2) 0.7624(3) -0.0295(2) 0.0464(8) Uani 1 1 d . . .
C22 C -0.0874(2) 0.7568(3) -0.0038(2) 0.0449(8) Uani 1 1 d . . .
C23 C -0.1560(2) 0.8183(3) -0.0225(2) 0.0534(9) Uani 1 1 d . . .
C24 C -0.2057(2) 0.7697(3) 0.0246(2) 0.0578(9) Uani 1 1 d . . .
H24A H -0.2563 0.7923 0.0249 0.069 Uiso 1 1 calc R . .
C25 C -0.1674(2) 0.6817(3) 0.0713(2) 0.0504(8) Uani 1 1 d . . .
C26 C -0.1732(3) 0.9175(3) -0.0791(3) 0.0790(14) Uani 1 1 d . . .
H26A H -0.1288 0.9344 -0.1036 0.118 Uiso 1 1 calc R . .
H26B H -0.1813 0.9725 -0.0380 0.118 Uiso 1 1 calc R . .
H26C H -0.2203 0.9091 -0.1320 0.118 Uiso 1 1 calc R . .
C27 C -0.1970(3) 0.6062(3) 0.1317(3) 0.0750(12) Uani 1 1 d . . .
H27A H -0.1578 0.5527 0.1538 0.113 Uiso 1 1 calc R . .
H27B H -0.2460 0.5757 0.0940 0.113 Uiso 1 1 calc R . .
H27C H -0.2062 0.6415 0.1862 0.113 Uiso 1 1 calc R . .
C28 C 0.2083(3) 0.3937(3) 0.2008(3) 0.0763(13) Uani 1 1 d . . .
H28A H 0.2472 0.4483 0.2176 0.114 Uiso 1 1 calc R . .
H28B H 0.2103 0.3626 0.1410 0.114 Uiso 1 1 calc R . .
H28C H 0.2198 0.3421 0.2507 0.114 Uiso 1 1 calc R . .
C29 C 0.1263(2) 0.4377(3) 0.1899(3) 0.0568(10) Uani 1 1 d . . .
C30 C 0.0767(3) 0.3945(3) 0.2394(3) 0.0625(11) Uani 1 1 d . . .
H30A H 0.0971 0.3388 0.2796 0.075 Uiso 1 1 calc R . .
C31 C -0.0006(3) 0.4256(3) 0.2354(3) 0.0591(10) Uani 1 1 d . . .
C32 C -0.0466(3) 0.3704(3) 0.2955(3) 0.0811(14) Uani 1 1 d . . .
H32A H -0.1023 0.3688 0.2610 0.122 Uiso 1 1 calc R . .
H32B H -0.0397 0.4065 0.3555 0.122 Uiso 1 1 calc R . .
H32C H -0.0271 0.3007 0.3082 0.122 Uiso 1 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 0.0033 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'
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
O1 Pd1 N2 171.03(10) . . ?
O1 Pd1 O2 92.49(10) . . ?
N2 Pd1 O2 96.21(10) . . ?
O1 Pd1 N1 90.58(11) . . ?
N2 Pd1 N1 80.75(11) . . ?
O2 Pd1 N1 176.81(10) . . ?
N4 Pd2 O4 94.46(11) . . ?
N4 Pd2 O3 172.51(11) . . ?
O4 Pd2 O3 92.86(10) . . ?
N4 Pd2 N3 81.06(11) . . ?
O4 Pd2 N3 175.19(11) . . ?
O3 Pd2 N3 91.58(11) . . ?
C13 O1 Pd1 124.7(2) . . ?
C15 O2 Pd1 123.7(2) . . ?
C29 O3 Pd2 124.1(3) . . ?
C31 O4 Pd2 124.3(3) . . ?
C1 N1 C5 120.5(3) . . ?
C1 N1 Pd1 124.1(2) . . ?
C5 N1 Pd1 115.4(2) . . ?
C9 N2 C6 107.4(3) . . ?
C9 N2 Pd1 138.7(2) . . ?
C6 N2 Pd1 113.8(2) . . ?
C17 N3 C21 120.4(3) . . ?
C17 N3 Pd2 124.6(2) . . ?
C21 N3 Pd2 115.0(2) . . ?
C25 N4 C22 107.7(3) . . ?
C25 N4 Pd2 138.4(2) . . ?
C22 N4 Pd2 113.6(2) . . ?
N1 C1 C2 121.9(4) . . ?
C1 C2 C3 118.9(4) . . ?
C4 C3 C2 120.1(4) . . ?
C3 C4 C5 119.6(4) . . ?
N1 C5 C4 119.0(3) . . ?
N1 C5 C6 114.1(3) . . ?
C4 C5 C6 126.8(3) . . ?
C7 C6 N2 109.6(3) . . ?
C7 C6 C5 134.6(3) . . ?
N2 C6 C5 115.8(3) . . ?
C6 C7 C8 105.7(3) . . ?
C6 C7 C10 128.5(3) . . ?
C8 C7 C10 125.8(3) . . ?
C7 C8 C9 108.0(3) . . ?
N2 C9 C8 109.3(3) . . ?
N2 C9 C11 123.3(3) . . ?
C8 C9 C11 127.4(3) . . ?
O1 C13 C14 125.3(3) . . ?
O1 C13 C12 114.3(3) . . ?
C14 C13 C12 120.4(3) . . ?
C15 C14 C13 127.0(3) . . ?
O2 C15 C14 126.6(3) . . ?
O2 C15 C16 113.9(3) . . ?
C14 C15 C16 119.6(3) . . ?
N3 C17 C18 122.5(4) . . ?
C19 C18 C17 118.0(4) . . ?
C20 C19 C18 120.1(4) . . ?
C19 C20 C21 120.5(4) . . ?
N3 C21 C20 118.5(3) . . ?
N3 C21 C22 114.2(3) . . ?
C20 C21 C22 127.3(3) . . ?
N4 C22 C23 109.6(3) . . ?
N4 C22 C21 115.9(3) . . ?
C23 C22 C21 134.5(3) . . ?
C24 C23 C22 105.4(3) . . ?
C24 C23 C26 126.3(3) . . ?
C22 C23 C26 128.3(4) . . ?
C23 C24 C25 108.8(3) . . ?
N4 C25 C24 108.5(3) . . ?
N4 C25 C27 123.4(3) . . ?
C24 C25 C27 128.1(3) . . ?
O3 C29 C30 125.7(3) . . ?
O3 C29 C28 113.9(4) . . ?
C30 C29 C28 120.4(4) . . ?
C29 C30 C31 126.9(3) . . ?
O4 C31 C30 126.2(4) . . ?
O4 C31 C32 113.7(4) . . ?
C30 C31 C32 120.1(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
Pd1 O1 1.992(2) . ?
Pd1 N2 1.993(3) . ?
Pd1 O2 2.003(2) . ?
Pd1 N1 2.013(3) . ?
Pd2 N4 1.992(3) . ?
Pd2 O4 1.996(2) . ?
Pd2 O3 2.000(2) . ?
Pd2 N3 2.003(3) . ?
O1 C13 1.286(4) . ?
O2 C15 1.278(4) . ?
O3 C29 1.284(4) . ?
O4 C31 1.269(4) . ?
N1 C1 1.342(4) . ?
N1 C5 1.359(4) . ?
N2 C9 1.346(4) . ?
N2 C6 1.394(4) . ?
N3 C17 1.335(4) . ?
N3 C21 1.362(4) . ?
N4 C25 1.355(4) . ?
N4 C22 1.383(4) . ?
C1 C2 1.368(5) . ?
C2 C3 1.375(6) . ?
C3 C4 1.371(6) . ?
C4 C5 1.405(5) . ?
C5 C6 1.431(5) . ?
C6 C7 1.393(5) . ?
C7 C8 1.399(5) . ?
C7 C10 1.507(5) . ?
C8 C9 1.399(5) . ?
C9 C11 1.496(5) . ?
C12 C13 1.498(5) . ?
C13 C14 1.378(5) . ?
C14 C15 1.375(5) . ?
C15 C16 1.507(5) . ?
C17 C18 1.375(5) . ?
C18 C19 1.373(6) . ?
C19 C20 1.365(6) . ?
C20 C21 1.397(5) . ?
C21 C22 1.433(5) . ?
C22 C23 1.396(5) . ?
C23 C24 1.391(5) . ?
C23 C26 1.502(5) . ?
C24 C25 1.391(5) . ?
C25 C27 1.491(5) . ?
C28 C29 1.505(5) . ?
C29 C30 1.382(6) . ?
C30 C31 1.391(6) . ?
C31 C32 1.512(6) . ?
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
N2 Pd1 O1 C13 161.5(6) . . . . ?
O2 Pd1 O1 C13 -4.3(3) . . . . ?
N1 Pd1 O1 C13 176.6(3) . . . . ?
O1 Pd1 O2 C15 2.9(3) . . . . ?
N2 Pd1 O2 C15 -174.9(3) . . . . ?
N1 Pd1 O2 C15 167.7(18) . . . . ?
N4 Pd2 O3 C29 169.7(7) . . . . ?
O4 Pd2 O3 C29 2.1(3) . . . . ?
N3 Pd2 O3 C29 -179.8(3) . . . . ?
N4 Pd2 O4 C31 -179.0(3) . . . . ?
O3 Pd2 O4 C31 -0.6(3) . . . . ?
N3 Pd2 O4 C31 -158.0(11) . . . . ?
O1 Pd1 N1 C1 2.4(3) . . . . ?
N2 Pd1 N1 C1 -179.9(3) . . . . ?
O2 Pd1 N1 C1 -162.4(18) . . . . ?
O1 Pd1 N1 C5 -177.2(2) . . . . ?
N2 Pd1 N1 C5 0.5(2) . . . . ?
O2 Pd1 N1 C5 18(2) . . . . ?
O1 Pd1 N2 C9 -162.4(6) . . . . ?
O2 Pd1 N2 C9 3.3(4) . . . . ?
N1 Pd1 N2 C9 -177.6(4) . . . . ?
O1 Pd1 N2 C6 13.5(8) . . . . ?
O2 Pd1 N2 C6 179.3(2) . . . . ?
N1 Pd1 N2 C6 -1.7(2) . . . . ?
N4 Pd2 N3 C17 -178.4(3) . . . . ?
O4 Pd2 N3 C17 160.4(11) . . . . ?
O3 Pd2 N3 C17 3.0(3) . . . . ?
N4 Pd2 N3 C21 3.0(2) . . . . ?
O4 Pd2 N3 C21 -18.2(13) . . . . ?
O3 Pd2 N3 C21 -175.6(2) . . . . ?
O4 Pd2 N4 C25 1.1(4) . . . . ?
O3 Pd2 N4 C25 -166.5(7) . . . . ?
N3 Pd2 N4 C25 -177.2(4) . . . . ?
O4 Pd2 N4 C22 174.2(2) . . . . ?
O3 Pd2 N4 C22 6.6(9) . . . . ?
N3 Pd2 N4 C22 -4.1(2) . . . . ?
C5 N1 C1 C2 0.8(5) . . . . ?
Pd1 N1 C1 C2 -178.8(3) . . . . ?
N1 C1 C2 C3 -1.2(6) . . . . ?
C1 C2 C3 C4 0.6(6) . . . . ?
C2 C3 C4 C5 0.5(6) . . . . ?
C1 N1 C5 C4 0.3(5) . . . . ?
Pd1 N1 C5 C4 179.9(3) . . . . ?
C1 N1 C5 C6 -178.8(3) . . . . ?
Pd1 N1 C5 C6 0.8(4) . . . . ?
C3 C4 C5 N1 -0.9(6) . . . . ?
C3 C4 C5 C6 178.1(4) . . . . ?
C9 N2 C6 C7 -0.1(4) . . . . ?
Pd1 N2 C6 C7 -177.3(2) . . . . ?
C9 N2 C6 C5 179.8(3) . . . . ?
Pd1 N2 C6 C5 2.7(4) . . . . ?
N1 C5 C6 C7 177.7(4) . . . . ?
C4 C5 C6 C7 -1.3(6) . . . . ?
N1 C5 C6 N2 -2.3(4) . . . . ?
C4 C5 C6 N2 178.7(3) . . . . ?
N2 C6 C7 C8 0.7(4) . . . . ?
C5 C6 C7 C8 -179.2(4) . . . . ?
N2 C6 C7 C10 -179.2(3) . . . . ?
C5 C6 C7 C10 0.8(7) . . . . ?
C6 C7 C8 C9 -1.1(4) . . . . ?
C10 C7 C8 C9 178.9(3) . . . . ?
C6 N2 C9 C8 -0.5(4) . . . . ?
Pd1 N2 C9 C8 175.5(3) . . . . ?
C6 N2 C9 C11 -179.8(3) . . . . ?
Pd1 N2 C9 C11 -3.7(6) . . . . ?
C7 C8 C9 N2 1.0(4) . . . . ?
C7 C8 C9 C11 -179.8(4) . . . . ?
Pd1 O1 C13 C14 2.5(5) . . . . ?
Pd1 O1 C13 C12 -177.5(2) . . . . ?
O1 C13 C14 C15 2.5(6) . . . . ?
C12 C13 C14 C15 -177.6(4) . . . . ?
Pd1 O2 C15 C14 0.4(5) . . . . ?
Pd1 O2 C15 C16 180.0(2) . . . . ?
C13 C14 C15 O2 -4.1(7) . . . . ?
C13 C14 C15 C16 176.3(4) . . . . ?
C21 N3 C17 C18 1.2(5) . . . . ?
Pd2 N3 C17 C18 -177.4(3) . . . . ?
N3 C17 C18 C19 -1.4(6) . . . . ?
C17 C18 C19 C20 0.7(7) . . . . ?
C18 C19 C20 C21 0.3(6) . . . . ?
C17 N3 C21 C20 -0.2(5) . . . . ?
Pd2 N3 C21 C20 178.5(3) . . . . ?
C17 N3 C21 C22 180.0(3) . . . . ?
Pd2 N3 C21 C22 -1.4(3) . . . . ?
C19 C20 C21 N3 -0.6(5) . . . . ?
C19 C20 C21 C22 179.3(4) . . . . ?
C25 N4 C22 C23 0.8(4) . . . . ?
Pd2 N4 C22 C23 -174.4(2) . . . . ?
C25 N4 C22 C21 179.8(3) . . . . ?
Pd2 N4 C22 C21 4.6(4) . . . . ?
N3 C21 C22 N4 -2.1(4) . . . . ?
C20 C21 C22 N4 178.0(3) . . . . ?
N3 C21 C22 C23 176.5(3) . . . . ?
C20 C21 C22 C23 -3.4(6) . . . . ?
N4 C22 C23 C24 -0.8(4) . . . . ?
C21 C22 C23 C24 -179.5(4) . . . . ?
N4 C22 C23 C26 177.7(4) . . . . ?
C21 C22 C23 C26 -1.0(7) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C26 C23 C24 C25 -178.0(4) . . . . ?
C22 N4 C25 C24 -0.5(4) . . . . ?
Pd2 N4 C25 C24 172.9(3) . . . . ?
C22 N4 C25 C27 -179.8(3) . . . . ?
Pd2 N4 C25 C27 -6.4(6) . . . . ?
C23 C24 C25 N4 -0.1(4) . . . . ?
C23 C24 C25 C27 179.2(4) . . . . ?
Pd2 O3 C29 C30 -2.3(5) . . . . ?
Pd2 O3 C29 C28 177.3(2) . . . . ?
O3 C29 C30 C31 0.7(6) . . . . ?
C28 C29 C30 C31 -178.9(4) . . . . ?
Pd2 O4 C31 C30 -0.6(5) . . . . ?
Pd2 O4 C31 C32 179.7(3) . . . . ?
C29 C30 C31 O4 1.0(7) . . . . ?
C29 C30 C31 C32 -179.3(4) . . . . ?
