#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:20:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180133 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/31/7103182.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_7103182
loop_
_publ_author_name
'Abella, Dolores'
'Blanco, Víctor'
'Pía, Elena'
'Chas, Marcos'
'Platas-Iglesias, Carlos'
'Peinador, Carlos'
'Quintela, José M'
_publ_section_title
;
 Stereoselective self-assembly of atropoisomeric Pd(II) metallocycles
 induced by an aromatic guest.
;
_journal_issue                   25
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2879
_journal_page_last               2881
_journal_paper_doi               10.1039/b802213e
_journal_year                    2008
_chemical_formula_sum            'C50 H74 N16 O30 Pd2'
_chemical_formula_weight         1592.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.949(5)
_cell_angle_beta                 101.272(5)
_cell_angle_gamma                106.982(5)
_cell_formula_units_Z            1
_cell_length_a                   8.684(5)
_cell_length_b                   13.421(5)
_cell_length_c                   14.573(5)
_cell_measurement_reflns_used    14503
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      56.750
_cell_measurement_theta_min      5.189
_cell_volume                     1569.5(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21542
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.9292
_exptl_absorpt_correction_T_min  0.8598
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             818
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.195
_refine_diff_density_min         -1.165
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0711P)²+4.8449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1383
_reflns_number_gt                7190
_reflns_number_total             7715
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802213e.txt
_cod_data_source_block           0620762_0s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi scan' changed
to 'multi-scan' 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-1
_cod_database_code               7103182
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2077(4) 0.2947(3) 0.9086(2) 0.0175(6) Uani 1 1 d . . .
H1 H 0.2876 0.2842 0.8757 0.021 Uiso 1 1 calc R . .
C2 C 0.2158(4) 0.2709(3) 0.9990(2) 0.0168(6) Uani 1 1 d . . .
H2 H 0.3003 0.2444 1.0277 0.020 Uiso 1 1 calc R . .
C3 C 0.0997(4) 0.2859(3) 1.0478(2) 0.0160(6) Uani 1 1 d . . .
C4 C -0.0217(5) 0.3253(3) 1.0028(2) 0.0217(7) Uani 1 1 d . . .
H4 H -0.1029 0.3366 1.0342 0.026 Uiso 1 1 calc R . .
C5 C -0.0229(5) 0.3478(3) 0.9119(2) 0.0214(7) Uani 1 1 d . . .
H5 H -0.1057 0.3747 0.8817 0.026 Uiso 1 1 calc R . .
C6 C 0.1035(4) 0.2551(3) 1.1430(2) 0.0159(6) Uani 1 1 d . . .
C7 C -0.0407(4) 0.2216(3) 1.1754(2) 0.0179(6) Uani 1 1 d . . .
H7 H -0.1424 0.2240 1.1388 0.021 Uiso 1 1 calc R . .
C8 C -0.0358(4) 0.1847(3) 1.2607(2) 0.0175(6) Uani 1 1 d . . .
H8 H -0.1348 0.1606 1.2821 0.021 Uiso 1 1 calc R . .
C9 C 0.2516(4) 0.2185(3) 1.2861(2) 0.0184(6) Uani 1 1 d . . .
H9 H 0.3527 0.2185 1.3255 0.022 Uiso 1 1 calc R . .
C10 C 0.2519(4) 0.2549(3) 1.2014(2) 0.0178(6) Uani 1 1 d . . .
H10 H 0.3531 0.2799 1.1825 0.021 Uiso 1 1 calc R . .
C11 C 0.1094(4) 0.1345(3) 1.4014(2) 0.0183(6) Uani 1 1 d . . .
H11A H 0.0332 0.1551 1.4362 0.022 Uiso 1 1 calc R . .
H11B H 0.2222 0.1605 1.4436 0.022 Uiso 1 1 calc R . .
C12 C 0.1663(4) -0.0310(3) 1.3501(2) 0.0192(6) Uani 1 1 d . . .
H12 H 0.2766 0.0114 1.3534 0.023 Uiso 1 1 calc R . .
C13 C -0.1173(4) 0.1405(3) 0.6797(2) 0.0202(6) Uani 1 1 d . . .
H13 H -0.1961 0.1710 0.6962 0.024 Uiso 1 1 calc R . .
N10 N 0.0362(3) 0.2035(2) 0.68579(19) 0.0147(5) Uani 1 1 d . . .
C15 C 0.1518(4) 0.1605(3) 0.6620(2) 0.0150(6) Uani 1 1 d . . .
C16 C 0.3154(4) 0.2277(3) 0.6712(2) 0.0195(6) Uani 1 1 d . . .
H16 H 0.3448 0.3008 0.6961 0.023 Uiso 1 1 calc R . .
C17 C 0.4308(5) 0.1883(3) 0.6446(3) 0.0247(7) Uani 1 1 d . . .
H17 H 0.5402 0.2340 0.6506 0.030 Uiso 1 1 calc R . .
C18 C 0.3883(5) 0.0795(3) 0.6082(3) 0.0246(7) Uani 1 1 d . . .
H18 H 0.4684 0.0531 0.5877 0.029 Uiso 1 1 calc R . .
C19 C 0.2328(5) 0.0117(3) 0.6020(2) 0.0214(7) Uani 1 1 d . . .
H19 H 0.2077 -0.0616 0.5795 0.026 Uiso 1 1 calc R . .
C020 C 0.1084(4) 0.0497(3) 0.6289(2) 0.0157(6) Uani 1 1 d . . .
C20 C 0.1420(5) 0.5147(3) 0.6033(2) 0.0233(7) Uani 1 1 d . . .
H20A H 0.0349 0.5285 0.5863 0.028 Uiso 1 1 calc R . .
H20B H 0.2072 0.5400 0.5568 0.028 Uiso 1 1 calc R . .
C21 C 0.2360(5) 0.5723(3) 0.7026(3) 0.0245(7) Uani 1 1 d . . .
H21A H 0.3500 0.5682 0.7162 0.029 Uiso 1 1 calc R . .
H21B H 0.2425 0.6477 0.7092 0.029 Uiso 1 1 calc R . .
C22 C 0.9225(5) 0.9793(3) 0.0742(2) 0.0213(7) Uani 1 1 d . . .
C23 C 1.0814(4) 0.9754(3) 0.0819(2) 0.0213(7) Uani 1 1 d . . .
H23 H 1.1377 0.9589 0.1381 0.026 Uiso 1 1 calc R . .
C24 C 0.8402(4) 1.0045(3) -0.0077(3) 0.0217(7) Uani 1 1 d . . .
H24 H 0.7312 1.0080 -0.0131 0.026 Uiso 1 1 calc R . .
N1 N 0.0897(4) 0.3325(2) 0.8656(2) 0.0171(5) Uani 1 1 d . . .
N2 N 0.1087(4) 0.1828(2) 1.31377(19) 0.0159(5) Uani 1 1 d . . .
C56 C 0.0549(4) 0.0151(3) 1.3746(2) 0.0165(6) Uani 1 1 d . . .
N4 N 0.1126(4) 0.3993(2) 0.6011(2) 0.0204(6) Uani 1 1 d . . .
H4A H 0.1989 0.3815 0.5841 0.024 Uiso 1 1 calc R . .
H4B H 0.0167 0.3615 0.5565 0.024 Uiso 1 1 calc R . .
N5 N 0.1431(4) 0.5192(2) 0.7693(2) 0.0212(6) Uani 1 1 d . . .
H5A H 0.0462 0.5352 0.7655 0.025 Uiso 1 1 calc R . .
H5B H 0.2058 0.5416 0.8307 0.025 Uiso 1 1 calc R . .
N6 N 0.2729(4) 0.4842(3) 0.2997(2) 0.0268(7) Uani 1 1 d . . .
N7 N 0.7023(4) 0.2493(2) 0.4770(2) 0.0216(6) Uani 1 1 d . . .
N8 N 0.5649(5) 0.1410(3) 0.8628(3) 0.0333(8) Uani 1 1 d . . .
O1 O 0.8517(3) 0.9585(2) 0.14974(19) 0.0266(6) Uani 1 1 d . . .
H1A H 0.7547 0.9614 0.1367 0.040 Uiso 1 1 calc R . .
O2 O 0.2176(4) 0.5088(3) 0.2224(2) 0.0357(7) Uani 1 1 d . . .
O3 O 0.4247(4) 0.5047(3) 0.3305(3) 0.0468(9) Uani 1 1 d . . .
O4 O 0.1736(4) 0.4365(2) 0.3442(2) 0.0341(7) Uani 1 1 d . . .
O5 O 0.8317(3) 0.2483(2) 0.4514(2) 0.0271(6) Uani 1 1 d . . .
O6 O 0.5655(4) 0.1816(2) 0.4349(2) 0.0322(6) Uani 1 1 d . . .
O7 O 0.7110(4) 0.3171(3) 0.5439(2) 0.0414(8) Uani 1 1 d . . .
O8 O 0.4825(4) 0.0731(3) 0.9064(2) 0.0379(7) Uani 1 1 d . . .
O9 O 0.6271(4) 0.1086(3) 0.8023(2) 0.0430(8) Uani 1 1 d . . .
O10 O 0.5802(5) 0.2366(3) 0.8829(3) 0.0478(8) Uani 1 1 d . . .
O21 O 0.3466(4) 0.3587(2) 0.49427(19) 0.0299(6) Uani 1 1 d . . .
H21C H 0.3544 0.3913 0.4568 0.045 Uiso 1 1 d R . .
H21D H 0.4511 0.4011 0.5292 0.045 Uiso 1 1 d R . .
O22 O 0.5633(4) 0.2024(3) 0.0862(2) 0.0413(8) Uani 1 1 d . . .
H22A H 0.5524 0.1715 0.0304 0.062 Uiso 1 1 d R . .
H22B H 0.6217 0.2739 0.0894 0.062 Uiso 1 1 d R . .
O23 O 0.5578(5) 0.1145(3) 0.2447(3) 0.0474(8) Uani 1 1 d . . .
H35B H 0.5829 0.1341 0.3048 0.071 Uiso 1 1 d R . .
H35A H 0.5615 0.1483 0.2039 0.071 Uiso 1 1 d R . .
O34 O 0.6266(4) 0.4046(3) 0.0553(2) 0.0401(7) Uani 1 1 d . . .
H34A H 0.6313 0.4210 0.0019 0.060 Uiso 1 1 d R . .
H34B H 0.5596 0.4536 0.0493 0.060 Uiso 1 1 d R . .
O40 O 0.5293(4) 0.4540(3) -0.1192(3) 0.0429(8) Uani 1 1 d . . .
H40B H 0.6187 0.4858 -0.0820 0.064 Uiso 1 1 d R . .
H40A H 0.5066 0.5173 -0.1226 0.064 Uiso 1 1 d R . .
Pd1 Pd 0.09279(3) 0.361612(19) 0.731349(16) 0.01480(9) 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'
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
N1 C1 C2 121.9(3) . . ?
C1 C2 C3 119.6(3) . . ?
C2 C3 C4 118.0(3) . . ?
C2 C3 C6 119.5(3) . . ?
C4 C3 C6 122.4(3) . . ?
C5 C4 C3 119.5(3) . . ?
N1 C5 C4 121.8(3) . . ?
C7 C6 C10 118.0(3) . . ?
C7 C6 C3 121.2(3) . . ?
C10 C6 C3 120.7(3) . . ?
C8 C7 C6 120.0(3) . . ?
N2 C8 C7 120.3(3) . . ?
N2 C9 C10 120.4(3) . . ?
C9 C10 C6 120.1(3) . . ?
N2 C11 C56 109.5(3) . . ?
C56 C12 C13 120.0(3) . 2_557 ?
N10 C13 C12 122.4(3) . 2_557 ?
C13 N10 C15 119.5(3) . . ?
C13 N10 Pd1 118.6(2) . . ?
C15 N10 Pd1 121.9(2) . . ?
N10 C15 C16 119.0(3) . . ?
N10 C15 C020 120.8(3) . . ?
C16 C15 C020 120.2(3) . . ?
C17 C16 C15 120.4(3) . . ?
C16 C17 C18 120.1(3) . . ?
C19 C18 C17 120.8(3) . . ?
C18 C19 C020 120.8(3) . . ?
C56 C020 C19 124.3(3) 2_557 . ?
C56 C020 C15 118.1(3) 2_557 . ?
C19 C020 C15 117.6(3) . . ?
N4 C20 C21 108.4(3) . . ?
N5 C21 C20 106.8(3) . . ?
O1 C22 C23 117.6(3) . . ?
O1 C22 C24 122.5(3) . . ?
C23 C22 C24 119.9(3) . . ?
C22 C23 C24 120.4(3) . 2_775 ?
C22 C24 C23 119.7(3) . 2_775 ?
C5 N1 C1 119.2(3) . . ?
C5 N1 Pd1 123.8(2) . . ?
C1 N1 Pd1 117.0(2) . . ?
C8 N2 C9 121.1(3) . . ?
C8 N2 C11 119.5(3) . . ?
C9 N2 C11 119.3(3) . . ?
C12 C56 C020 119.1(3) . 2_557 ?
C12 C56 C11 118.6(3) . . ?
C020 C56 C11 122.2(3) 2_557 . ?
C20 N4 Pd1 110.2(2) . . ?
C21 N5 Pd1 107.4(2) . . ?
O3 N6 O4 120.4(4) . . ?
O3 N6 O2 120.4(4) . . ?
O4 N6 O2 119.2(3) . . ?
O7 N7 O5 119.4(3) . . ?
O7 N7 O6 120.7(3) . . ?
O5 N7 O6 119.9(3) . . ?
O9 N8 O10 122.0(4) . . ?
O9 N8 O8 118.0(4) . . ?
O10 N8 O8 120.1(4) . . ?
N5 Pd1 N1 93.64(12) . . ?
N5 Pd1 N10 176.85(11) . . ?
N1 Pd1 N10 89.18(11) . . ?
N5 Pd1 N4 83.67(12) . . ?
N1 Pd1 N4 175.73(12) . . ?
N10 Pd1 N4 93.60(11) . . ?
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
C1 N1 1.348(4) . ?
C1 C2 1.381(4) . ?
C2 C3 1.391(5) . ?
C3 C4 1.396(5) . ?
C3 C6 1.485(4) . ?
C4 C5 1.387(5) . ?
C5 N1 1.343(4) . ?
C6 C7 1.392(5) . ?
C6 C10 1.400(5) . ?
C7 C8 1.383(4) . ?
C8 N2 1.348(4) . ?
C9 N2 1.349(5) . ?
C9 C10 1.374(5) . ?
C11 N2 1.491(4) . ?
C11 C56 1.516(5) . ?
C12 C56 1.374(5) . ?
C12 C13 1.399(5) 2_557 ?
C13 N10 1.334(5) . ?
C13 C12 1.399(5) 2_557 ?
N10 C15 1.377(4) . ?
N10 Pd1 2.038(3) . ?
C15 C16 1.415(5) . ?
C15 C020 1.427(5) . ?
C16 C17 1.362(5) . ?
C17 C18 1.413(6) . ?
C18 C19 1.370(5) . ?
C19 C020 1.424(5) . ?
C020 C56 1.418(5) 2_557 ?
C20 N4 1.490(4) . ?
C20 C21 1.516(5) . ?
C21 N5 1.489(5) . ?
C22 O1 1.377(4) . ?
C22 C23 1.379(5) . ?
C22 C24 1.394(5) . ?
C23 C24 1.395(5) 2_775 ?
C24 C23 1.395(5) 2_775 ?
N1 Pd1 2.038(3) . ?
C56 C020 1.418(5) 2_557 ?
N4 Pd1 2.041(3) . ?
N5 Pd1 2.024(3) . ?
N6 O3 1.244(5) . ?
N6 O4 1.247(5) . ?
N6 O2 1.252(4) . ?
N7 O7 1.238(4) . ?
N7 O5 1.255(4) . ?
N7 O6 1.258(4) . ?
N8 O9 1.226(5) . ?
N8 O10 1.248(5) . ?
N8 O8 1.290(5) . ?
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
N1 C1 C2 C3 0.0(5) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C1 C2 C3 C6 176.9(3) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C6 C3 C4 C5 -176.9(3) . . . . ?
C3 C4 C5 N1 0.1(6) . . . . ?
C2 C3 C6 C7 -149.8(3) . . . . ?
C4 C3 C6 C7 27.1(5) . . . . ?
C2 C3 C6 C10 27.6(5) . . . . ?
C4 C3 C6 C10 -155.4(3) . . . . ?
C10 C6 C7 C8 -3.1(5) . . . . ?
C3 C6 C7 C8 174.4(3) . . . . ?
C6 C7 C8 N2 1.2(5) . . . . ?
N2 C9 C10 C6 -0.1(5) . . . . ?
C7 C6 C10 C9 2.5(5) . . . . ?
C3 C6 C10 C9 -175.0(3) . . . . ?
C12 C13 N10 C15 0.1(5) 2_557 . . . ?
C12 C13 N10 Pd1 -179.5(3) 2_557 . . . ?
C13 N10 C15 C16 -178.3(3) . . . . ?
Pd1 N10 C15 C16 1.2(4) . . . . ?
C13 N10 C15 C020 1.4(4) . . . . ?
Pd1 N10 C15 C020 -179.1(2) . . . . ?
N10 C15 C16 C17 -177.3(3) . . . . ?
C020 C15 C16 C17 3.0(5) . . . . ?
C15 C16 C17 C18 -0.5(5) . . . . ?
C16 C17 C18 C19 -2.2(6) . . . . ?
C17 C18 C19 C020 2.3(5) . . . . ?
C18 C19 C020 C56 -179.6(3) . . . 2_557 ?
C18 C19 C020 C15 0.2(5) . . . . ?
N10 C15 C020 C56 -2.7(4) . . . 2_557 ?
C16 C15 C020 C56 176.9(3) . . . 2_557 ?
N10 C15 C020 C19 177.5(3) . . . . ?
C16 C15 C020 C19 -2.8(4) . . . . ?
N4 C20 C21 N5 -51.3(4) . . . . ?
O1 C22 C23 C24 179.8(3) . . . 2_775 ?
C24 C22 C23 C24 -0.6(6) . . . 2_775 ?
O1 C22 C24 C23 -179.9(3) . . . 2_775 ?
C23 C22 C24 C23 0.6(6) . . . 2_775 ?
C4 C5 N1 C1 -0.3(6) . . . . ?
C4 C5 N1 Pd1 179.0(3) . . . . ?
C2 C1 N1 C5 0.3(5) . . . . ?
C2 C1 N1 Pd1 -179.1(3) . . . . ?
C7 C8 N2 C9 1.3(5) . . . . ?
C7 C8 N2 C11 -174.9(3) . . . . ?
C10 C9 N2 C8 -1.9(5) . . . . ?
C10 C9 N2 C11 174.3(3) . . . . ?
C56 C11 N2 C8 79.2(4) . . . . ?
C56 C11 N2 C9 -97.1(3) . . . . ?
C13 C12 C56 C020 1.2(5) 2_557 . . 2_557 ?
C13 C12 C56 C11 -176.7(3) 2_557 . . . ?
N2 C11 C56 C12 77.2(4) . . . . ?
N2 C11 C56 C020 -100.7(3) . . . 2_557 ?
C21 C20 N4 Pd1 30.2(4) . . . . ?
C20 C21 N5 Pd1 47.9(3) . . . . ?
C21 N5 Pd1 N1 151.6(2) . . . . ?
C21 N5 Pd1 N10 -55(2) . . . . ?
C21 N5 Pd1 N4 -25.0(2) . . . . ?
C5 N1 Pd1 N5 65.3(3) . . . . ?
C1 N1 Pd1 N5 -115.4(3) . . . . ?
C5 N1 Pd1 N10 -113.3(3) . . . . ?
C1 N1 Pd1 N10 66.0(3) . . . . ?
C5 N1 Pd1 N4 116.0(15) . . . . ?
C1 N1 Pd1 N4 -64.6(16) . . . . ?
C13 N10 Pd1 N5 -81(2) . . . . ?
C15 N10 Pd1 N5 100(2) . . . . ?
C13 N10 Pd1 N1 73.1(3) . . . . ?
C15 N10 Pd1 N1 -106.4(2) . . . . ?
C13 N10 Pd1 N4 -110.1(3) . . . . ?
C15 N10 Pd1 N4 70.3(2) . . . . ?
C20 N4 Pd1 N5 -3.0(2) . . . . ?
C20 N4 Pd1 N1 -54.1(16) . . . . ?
C20 N4 Pd1 N10 175.4(2) . . . . ?
