#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/80/4508069.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_4508069
loop_
_publ_author_name
'Tripathy, Debakanta'
'Ramkumar, Venkatachalam'
'Chand, Dillip K.'
_publ_section_title
;
 Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The
 π-Polymers
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3763
_journal_paper_doi               10.1021/cg400781x
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C44 H72 N12 Pd2, 4(Cl O4), 6(O) '
_chemical_formula_sum            'C44 H72 Cl4 N12 O22 Pd2'
_chemical_formula_weight         1475.74
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.199(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1709(11)
_cell_length_b                   17.4598(13)
_cell_length_c                   16.8831(15)
_cell_measurement_reflns_used    6008
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.37
_cell_measurement_theta_min      2.30
_cell_volume                     3572.9(5)
_computing_cell_refinement       APEXII,Bruker,2004
_computing_data_collection       APEXII,Bruker,2004
_computing_data_reduction        SAINT,Bruker,2004
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21404
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.9311
_exptl_absorpt_correction_T_min  0.8397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' SADABS (Bruker,2004)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.531
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6276
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.098
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1519P)²+3.2042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2138
_refine_ls_wR_factor_ref         0.2429
_reflns_number_gt                4261
_reflns_number_total             6276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400781x_si_002.cif
_cod_data_source_block           new
_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_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4508069
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.21766(4) 0.13956(3) 0.40874(3) 0.0513(3) Uani 1 1 d .
N6 N 0.0593(5) 0.1733(3) 0.4186(4) 0.0575(14) Uani 1 1 d .
N5 N -0.2857(5) 0.3396(4) 0.4142(4) 0.0695(19) Uani 1 1 d .
N4 N -0.3552(5) 0.4958(3) 0.4281(4) 0.0677(16) Uani 1 1 d .
C17 C -0.2626(7) 0.2628(5) 0.4475(7) 0.086(3) Uani 1 1 d .
H17A H -0.3154 0.2270 0.4219 0.104 Uiso 1 1 calc R
H17B H -0.2736 0.2637 0.5037 0.104 Uiso 1 1 calc R
C18 C -0.1478(6) 0.2337(4) 0.4382(5) 0.070(2) Uani 1 1 d .
C14 C -0.4006(7) 0.3594(5) 0.4266(8) 0.088(3) Uani 1 1 d .
H14A H -0.4097 0.3607 0.4831 0.106 Uiso 1 1 calc R
H14B H -0.4502 0.3210 0.4021 0.106 Uiso 1 1 calc R
C20 C 0.0100(7) 0.1619(5) 0.4853(5) 0.067(2) Uani 1 1 d .
H20 H 0.0459 0.1328 0.5259 0.080 Uiso 1 1 calc R
C16 C -0.2438(7) 0.4751(4) 0.4170(5) 0.067(2) Uani 1 1 d .
H16A H -0.1942 0.5135 0.4415 0.080 Uiso 1 1 calc R
H16B H -0.2345 0.4740 0.3605 0.080 Uiso 1 1 calc R
C13 C -0.4282(7) 0.4371(4) 0.3901(6) 0.082(3) Uani 1 1 d .
H13A H -0.4197 0.4355 0.3336 0.099 Uiso 1 1 calc R
H13B H -0.5044 0.4498 0.3969 0.099 Uiso 1 1 calc R
C21 C 0.0058(7) 0.2158(5) 0.3624(5) 0.071(2) Uani 1 1 d .
H21 H 0.0400 0.2253 0.3163 0.085 Uiso 1 1 calc R
C15 C -0.2144(6) 0.3980(5) 0.4527(5) 0.074(2) Uani 1 1 d .
H15A H -0.1380 0.3862 0.4458 0.088 Uiso 1 1 calc R
H15B H -0.2230 0.3989 0.5093 0.088 Uiso 1 1 calc R
N3 N 0.2650(5) 0.2349(3) 0.4729(3) 0.0578(14) Uani 1 1 d .
C9 C 0.3382(7) 0.3636(4) 0.5603(5) 0.0621(19) Uani 1 1 d .
C10 C 0.3091(7) 0.3668(4) 0.4787(5) 0.0623(19) Uani 1 1 d .
H10 H 0.3138 0.4130 0.4517 0.075 Uiso 1 1 calc R
C11 C 0.2735(7) 0.3020(4) 0.4376(4) 0.0609(18) Uani 1 1 d .
H11 H 0.2546 0.3055 0.3831 0.073 Uiso 1 1 calc R
C12 C 0.3855(7) 0.4289(4) 0.6067(5) 0.076(2) Uani 1 1 d .
H12A H 0.4652 0.4242 0.6115 0.091 Uiso 1 1 calc R
H12B H 0.3613 0.4264 0.6598 0.091 Uiso 1 1 calc R
N1 N 0.1728(5) 0.0423(3) 0.3442(4) 0.0640(16) Uani 1 1 d .
C2 C 0.1249(9) -0.0128(5) 0.3966(6) 0.089(3) Uani 1 1 d .
H2A H 0.0675 0.0116 0.4228 0.134 Uiso 1 1 calc R
H2B H 0.1812 -0.0308 0.4356 0.134 Uiso 1 1 calc R
H2C H 0.0947 -0.0552 0.3657 0.134 Uiso 1 1 calc R
N2 N 0.3777(5) 0.1062(4) 0.3976(4) 0.0651(16) Uani 1 1 d .
C19 C -0.0913(7) 0.1916(4) 0.4954(5) 0.073(2) Uani 1 1 d .
H19 H -0.1224 0.1827 0.5429 0.087 Uiso 1 1 calc R
C8 C 0.3242(8) 0.2931(4) 0.5966(5) 0.073(2) Uani 1 1 d .
H8 H 0.3378 0.2883 0.6515 0.087 Uiso 1 1 calc R
C22 C -0.0957(6) 0.2462(5) 0.3681(5) 0.076(2) Uani 1 1 d .
H22 H -0.1303 0.2747 0.3265 0.091 Uiso 1 1 calc R
C6 C 0.4252(8) 0.1547(6) 0.3381(7) 0.097(3) Uani 1 1 d .
H6A H 0.4992 0.1383 0.3319 0.145 Uiso 1 1 calc R
H6B H 0.4262 0.2071 0.3556 0.145 Uiso 1 1 calc R
H6C H 0.3813 0.1505 0.2881 0.145 Uiso 1 1 calc R
C5 C 0.4522(8) 0.1099(7) 0.4729(7) 0.108(3) Uani 1 1 d .
H5A H 0.5223 0.0876 0.4643 0.162 Uiso 1 1 calc R
H5B H 0.4197 0.0820 0.5138 0.162 Uiso 1 1 calc R
H5C H 0.4625 0.1623 0.4889 0.162 Uiso 1 1 calc R
C7 C 0.2905(8) 0.2305(5) 0.5516(5) 0.080(2) Uani 1 1 d .
H7 H 0.2852 0.1834 0.5766 0.096 Uiso 1 1 calc R
C1 C 0.0925(9) 0.0562(5) 0.2760(6) 0.095(3) Uani 1 1 d .
H1A H 0.0785 0.0092 0.2472 0.143 Uiso 1 1 calc R
H1B H 0.1212 0.0936 0.2417 0.143 Uiso 1 1 calc R
H1C H 0.0250 0.0747 0.2943 0.143 Uiso 1 1 calc R
C4 C 0.3689(8) 0.0241(5) 0.3704(7) 0.093(3) Uani 1 1 d .
H4A H 0.4360 0.0094 0.3475 0.112 Uiso 1 1 calc R
H4B H 0.3605 -0.0088 0.4157 0.112 Uiso 1 1 calc R
C3 C 0.2771(8) 0.0140(6) 0.3129(7) 0.094(3) Uani 1 1 d .
H3A H 0.2693 -0.0398 0.2994 0.112 Uiso 1 1 calc R
H3B H 0.2898 0.0419 0.2648 0.112 Uiso 1 1 calc R
O5 O 0.2950(10) 0.9530(12) 0.5793(7) 0.260(10) Uani 1 1 d D
O6 O 0.3265(11) 1.0267(10) 0.6800(11) 0.287(10) Uani 1 1 d D
O7 O 0.1786(13) 1.0453(8) 0.6031(13) 0.313(12) Uani 1 1 d D
O8 O 0.1913(17) 0.9494(11) 0.6799(10) 0.311(10) Uani 1 1 d D
O9 O 0.6885(11) 0.3212(6) 0.2427(6) 0.174(5) Uani 1 1 d .
Cl2 Cl 0.2477(2) 0.99243(15) 0.63484(15) 0.0871(7) Uani 1 1 d D
O1 O 0.1732(13) 0.3295(5) 0.1158(5) 0.192(6) Uani 1 1 d D
O3 O 0.2589(15) 0.2633(18) 0.1955(18) 0.54(3) Uani 1 1 d D
O2 O 0.104(2) 0.2183(8) 0.1480(10) 0.376(17) Uani 1 1 d D
O4 O 0.120(3) 0.3215(11) 0.2357(13) 0.48(2) Uani 1 1 d D
Cl1 Cl 0.1564(4) 0.2826(3) 0.1730(2) 0.1540(16) Uani 1 1 d D
O20 O 0.513(4) 0.090(3) 0.125(3) 0.59(3) Uiso 1 1 d .
O19 O 0.035(3) 0.423(3) 0.316(3) 0.55(2) Uiso 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_1
_geom_angle_site_symmetry_3
N6 Pd1 N3 86.8(2) . .
N6 Pd1 N2 179.3(2) . .
N3 Pd1 N2 93.2(2) . .
N6 Pd1 N1 94.3(2) . .
N3 Pd1 N1 178.9(2) . .
N2 Pd1 N1 85.8(2) . .
C21 N6 C20 117.2(6) . .
C21 N6 Pd1 120.7(5) . .
C20 N6 Pd1 121.7(5) . .
C15 N5 C17 112.5(7) . .
C15 N5 C14 107.9(7) . .
C17 N5 C14 108.1(6) . .
C16 N4 C13 108.1(6) . .
C16 N4 C12 112.2(6) . 3_566
C13 N4 C12 109.3(6) . 3_566
N5 C17 C18 114.5(6) . .
N5 C17 H17A 108.6 . .
C18 C17 H17A 108.6 . .
N5 C17 H17B 108.6 . .
C18 C17 H17B 108.6 . .
H17A C17 H17B 107.6 . .
C19 C18 C22 116.5(7) . .
C19 C18 C17 121.6(8) . .
C22 C18 C17 121.9(7) . .
N5 C14 C13 109.3(7) . .
N5 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
N5 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
N6 C20 C19 121.9(7) . .
N6 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
N4 C16 C15 111.5(7) . .
N4 C16 H16A 109.3 . .
C15 C16 H16A 109.3 . .
N4 C16 H16B 109.3 . .
C15 C16 H16B 109.3 . .
H16A C16 H16B 108.0 . .
N4 C13 C14 110.2(7) . .
N4 C13 H13A 109.6 . .
C14 C13 H13A 109.6 . .
N4 C13 H13B 109.6 . .
C14 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
N6 C21 C22 124.0(7) . .
N6 C21 H21 118.0 . .
C22 C21 H21 118.0 . .
N5 C15 C16 109.7(7) . .
N5 C15 H15A 109.7 . .
C16 C15 H15A 109.7 . .
N5 C15 H15B 109.7 . .
C16 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
C11 N3 C7 118.5(6) . .
C11 N3 Pd1 120.9(5) . .
C7 N3 Pd1 120.6(5) . .
C8 C9 C10 116.1(7) . .
C8 C9 C12 120.6(7) . .
C10 C9 C12 123.2(7) . .
C11 C10 C9 120.4(6) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
N3 C11 C10 122.4(7) . .
N3 C11 H11 118.8 . .
C10 C11 H11 118.8 . .
C9 C12 N4 114.1(6) . 3_566
C9 C12 H12A 108.7 . .
N4 C12 H12A 108.7 3_566 .
C9 C12 H12B 108.7 . .
N4 C12 H12B 108.7 3_566 .
H12A C12 H12B 107.6 . .
C1 N1 C2 108.1(7) . .
C1 N1 C3 107.7(7) . .
C2 N1 C3 113.1(7) . .
C1 N1 Pd1 114.0(5) . .
C2 N1 Pd1 108.8(5) . .
C3 N1 Pd1 105.3(5) . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C6 N2 C5 108.1(8) . .
C6 N2 C4 111.2(8) . .
C5 N2 C4 108.7(7) . .
C6 N2 Pd1 109.5(5) . .
C5 N2 Pd1 114.6(5) . .
C4 N2 Pd1 104.8(5) . .
C18 C19 C20 121.7(7) . .
C18 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
C7 C8 C9 120.1(7) . .
C7 C8 H8 119.9 . .
C9 C8 H8 119.9 . .
C21 C22 C18 118.7(7) . .
C21 C22 H22 120.6 . .
C18 C22 H22 120.6 . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C7 C8 122.4(7) . .
N3 C7 H7 118.8 . .
C8 C7 H7 118.8 . .
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C4 N2 110.8(7) . .
C3 C4 H4A 109.5 . .
N2 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
N2 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
C4 C3 N1 110.9(8) . .
C4 C3 H3A 109.5 . .
N1 C3 H3A 109.5 . .
C4 C3 H3B 109.5 . .
N1 C3 H3B 109.5 . .
H3A C3 H3B 108.1 . .
O8 Cl2 O6 108.5(13) . .
O8 Cl2 O7 106.7(11) . .
O6 Cl2 O7 108.6(10) . .
O8 Cl2 O5 113.3(13) . .
O6 Cl2 O5 107.7(9) . .
O7 Cl2 O5 111.9(12) . .
O1 Cl1 O3 99.6(16) . .
O1 Cl1 O2 113.4(8) . .
O3 Cl1 O2 106.7(12) . .
O1 Cl1 O4 110.3(10) . .
O3 Cl1 O4 105.5(13) . .
O2 Cl1 O4 119.0(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N6 2.036(6) .
Pd1 N3 2.040(6) .
Pd1 N2 2.057(6) .
Pd1 N1 2.064(6) .
N6 C21 1.326(9) .
N6 C20 1.338(9) .
N5 C15 1.454(11) .
N5 C17 1.472(10) .
N5 C14 1.474(10) .
N4 C16 1.432(10) .
N4 C13 1.466(10) .
N4 C12 1.474(10) 3_566
C17 C18 1.508(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.351(11) .
C18 C22 1.409(11) .
C14 C13 1.514(11) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C20 C19 1.364(11) .
C20 H20 0.9300 .
C16 C15 1.505(11) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C21 C22 1.356(11) .
C21 H21 0.9300 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
N3 C11 1.322(9) .
N3 C7 1.339(10) .
C9 C8 1.392(11) .
C9 C10 1.393(11) .
C9 C12 1.470(10) .
C10 C11 1.376(10) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 N4 1.474(10) 3_566
C12 H12A 0.9700 .
C12 H12B 0.9700 .
N1 C1 1.461(10) .
N1 C2 1.463(10) .
N1 C3 1.502(11) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
N2 C6 1.471(12) .
N2 C5 1.495(11) .
N2 C4 1.507(11) .
C19 H19 0.9300 .
C8 C7 1.372(12) .
C8 H8 0.9300 .
C22 H22 0.9300 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C7 H7 0.9300 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C4 C3 1.423(13) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
O5 Cl2 1.336(10) .
O6 Cl2 1.315(10) .
O7 Cl2 1.329(10) .
O8 Cl2 1.308(10) .
O1 Cl1 1.296(8) .
O3 Cl1 1.315(13) .
O2 Cl1 1.340(12) .
O4 Cl1 1.363(13) .
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_4
N3 Pd1 N6 C21 93.2(6) . .
N2 Pd1 N6 C21 5(21) . .
N1 Pd1 N6 C21 -87.0(6) . .
N3 Pd1 N6 C20 -78.6(6) . .
N2 Pd1 N6 C20 -167(43) . .
N1 Pd1 N6 C20 101.2(6) . .
C15 N5 C17 C18 -61.9(11) . .
C14 N5 C17 C18 179.1(9) . .
N5 C17 C18 C19 143.0(9) . .
N5 C17 C18 C22 -39.7(13) . .
C15 N5 C14 C13 60.2(10) . .
C17 N5 C14 C13 -177.9(9) . .
C21 N6 C20 C19 0.6(12) . .
Pd1 N6 C20 C19 172.7(6) . .
C13 N4 C16 C15 -59.4(9) . .
C12 N4 C16 C15 -179.9(6) 3_566 .
C16 N4 C13 C14 59.2(10) . .
C12 N4 C13 C14 -178.4(8) 3_566 .
N5 C14 C13 N4 -60.8(11) . .
C20 N6 C21 C22 -1.6(12) . .
Pd1 N6 C21 C22 -173.8(7) . .
C17 N5 C15 C16 -178.9(7) . .
C14 N5 C15 C16 -59.8(9) . .
N4 C16 C15 N5 61.2(9) . .
N6 Pd1 N3 C11 -84.7(6) . .
N2 Pd1 N3 C11 94.6(6) . .
N1 Pd1 N3 C11 107(12) . .
N6 Pd1 N3 C7 96.7(6) . .
N2 Pd1 N3 C7 -84.0(7) . .
N1 Pd1 N3 C7 -71(12) . .
C8 C9 C10 C11 -2.7(12) . .
C12 C9 C10 C11 174.8(7) . .
C7 N3 C11 C10 1.1(11) . .
Pd1 N3 C11 C10 -177.5(6) . .
C9 C10 C11 N3 0.1(12) . .
C8 C9 C12 N4 -156.5(8) . 3_566
C10 C9 C12 N4 26.2(12) . 3_566
N6 Pd1 N1 C1 50.1(6) . .
N3 Pd1 N1 C1 -142(12) . .
N2 Pd1 N1 C1 -129.2(7) . .
N6 Pd1 N1 C2 -70.6(6) . .
N3 Pd1 N1 C2 97(12) . .
N2 Pd1 N1 C2 110.1(6) . .
N6 Pd1 N1 C3 167.9(6) . .
N3 Pd1 N1 C3 -24(13) . .
N2 Pd1 N1 C3 -11.3(6) . .
N6 Pd1 N2 C6 13(21) . .
N3 Pd1 N2 C6 -75.5(6) . .
N1 Pd1 N2 C6 104.8(6) . .
N6 Pd1 N2 C5 134(20) . .
N3 Pd1 N2 C5 46.1(7) . .
N1 Pd1 N2 C5 -133.6(7) . .
N6 Pd1 N2 C4 -107(20) . .
N3 Pd1 N2 C4 165.1(6) . .
N1 Pd1 N2 C4 -14.6(6) . .
C22 C18 C19 C20 -0.9(13) . .
C17 C18 C19 C20 176.4(8) . .
N6 C20 C19 C18 0.6(13) . .
C10 C9 C8 C7 4.1(13) . .
C12 C9 C8 C7 -173.4(9) . .
N6 C21 C22 C18 1.3(14) . .
C19 C18 C22 C21 0.0(13) . .
C17 C18 C22 C21 -177.3(8) . .
C11 N3 C7 C8 0.4(13) . .
Pd1 N3 C7 C8 179.0(7) . .
C9 C8 C7 N3 -3.1(15) . .
C6 N2 C4 C3 -77.4(10) . .
C5 N2 C4 C3 163.7(9) . .
Pd1 N2 C4 C3 40.8(10) . .
N2 C4 C3 N1 -54.5(12) . .
C1 N1 C3 C4 160.0(8) . .
C2 N1 C3 C4 -80.6(10) . .
Pd1 N1 C3 C4 38.0(9) . .
