#------------------------------------------------------------------------------
#$Date: 2023-02-01 11:39:21 +0200 (Wed, 01 Feb 2023) $
#$Revision: 280732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/66/8106653.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_8106653
loop_
_publ_author_name
'Bai, Ruo-Fei'
'Liu, Qiu-Xia'
_publ_section_title
;
 Crystal structure of
 catena-poly[dichlorido-(μ2-4-(1H-pyrazol-3-yl)-pyridine-κ2
 N,N′)]cadmium(II), C48H42Cd3Cl16N18
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              717
_journal_page_last               718
_journal_paper_doi               10.1515/ncrs-2016-0363
_journal_volume                  232
_journal_year                    2017
_chemical_formula_sum            'C48 H42 Cd3 Cl6 N18'
_chemical_formula_weight         1420.90
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 95.192(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4564(7)
_cell_length_b                   21.1547(15)
_cell_length_c                   21.3475(13)
_cell_measurement_reflns_used    1422
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      3.45
_cell_volume                     5152.5(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14107
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  0.7306
_exptl_absorpt_correction_T_min  0.5540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0350P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.1154
_reflns_number_gt                1412
_reflns_number_total             4780
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0363_suppl.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8106653
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.0000 0.12501(4) 0.7500 0.0312(2) Uani 1 2 d S . .
Cd2 Cd 0.33342(5) 0.12499(3) 0.74998(3) 0.03094(16) Uani 1 1 d . . .
Cl1 Cl 0.5000 0.03602(13) 0.7500 0.0328(6) Uani 1 2 d S . .
Cl2 Cl 0.5000 0.21384(13) 0.7500 0.0343(7) Uani 1 2 d S . .
Cl3 Cl 0.16720(16) 0.03600(8) 0.75010(9) 0.0319(4) Uani 1 1 d . . .
Cl4 Cl 0.16681(15) 0.21399(8) 0.75000(9) 0.0321(4) Uani 1 1 d . . .
N1 N -0.0185(5) 0.1245(3) 0.6409(3) 0.0322(16) Uani 1 1 d . . .
N2 N -0.0270(6) 0.1772(4) 0.4038(4) 0.075(3) Uani 1 1 d . . .
N3 N -0.0517(8) 0.1529(8) 0.3435(4) 0.131(6) Uani 1 1 d . . .
H3 H -0.0467 0.1736 0.3091 0.157 Uiso 1 1 calc R . .
N4 N 0.2830(8) 0.1539(7) 0.3459(5) 0.123(5) Uani 1 1 d . . .
H4 H 0.2920 0.1753 0.3124 0.148 Uiso 1 1 calc R . .
N5 N 0.3047(6) 0.1764(5) 0.4064(4) 0.076(3) Uani 1 1 d . . .
N6 N 0.3163(5) 0.1258(3) 0.6418(2) 0.0308(16) Uani 1 1 d . . .
N7 N 0.3520(5) 0.1247(3) 0.8582(3) 0.0298(15) Uani 1 1 d . . .
N8 N 0.3631(6) 0.1774(4) 1.0954(4) 0.079(3) Uani 1 1 d . . .
N9 N 0.3843(9) 0.1527(8) 1.1553(5) 0.135(6) Uani 1 1 d . . .
H9 H 0.3763 0.1728 1.1896 0.162 Uiso 1 1 calc R . .
C1 C 0.4186(7) 0.0740(5) 1.0949(5) 0.061(3) Uani 1 1 d . . .
H1 H 0.4369 0.0340 1.0805 0.074 Uiso 1 1 calc R . .
C2 C 0.3848(6) 0.1260(4) 1.0577(3) 0.0333(19) Uani 1 1 d . . .
C3 C 0.4201(9) 0.0909(8) 1.1514(6) 0.088(5) Uani 1 1 d . . .
H3A H 0.4423 0.0653 1.1858 0.106 Uiso 1 1 calc R . .
C4 C 0.3741(6) 0.1246(4) 0.9900(3) 0.036(2) Uani 1 1 d . . .
C5 C 0.3961(6) 0.0710(4) 0.9546(3) 0.0379(19) Uani 1 1 d . . .
H5 H 0.4189 0.0333 0.9746 0.045 Uiso 1 1 calc R . .
C6 C 0.3840(6) 0.0746(4) 0.8907(3) 0.038(2) Uani 1 1 d . . .
H6 H 0.3998 0.0383 0.8684 0.045 Uiso 1 1 calc R . .
C7 C 0.3300(6) 0.1778(4) 0.8910(3) 0.043(2) Uani 1 1 d . . .
H7 H 0.3075 0.2145 0.8692 0.051 Uiso 1 1 calc R . .
C8 C 0.3402(6) 0.1785(4) 0.9555(3) 0.037(2) Uani 1 1 d . . .
H8 H 0.3242 0.2155 0.9766 0.044 Uiso 1 1 calc R . .
C9 C 0.3377(6) 0.1771(4) 0.6074(3) 0.039(2) Uani 1 1 d . . .
H9A H 0.3617 0.2136 0.6291 0.046 Uiso 1 1 calc R . .
C10 C 0.3274(6) 0.1803(4) 0.5429(3) 0.037(2) Uani 1 1 d . . .
H10 H 0.3438 0.2176 0.5224 0.044 Uiso 1 1 calc R . .
C11 C 0.2917(6) 0.1263(4) 0.5088(3) 0.0305(18) Uani 1 1 d . . .
C12 C 0.2710(5) 0.0711(4) 0.5439(3) 0.036(2) Uani 1 1 d . . .
H12 H 0.2500 0.0334 0.5233 0.043 Uiso 1 1 calc R . .
C13 C 0.2822(6) 0.0736(4) 0.6077(4) 0.037(2) Uani 1 1 d . . .
H13 H 0.2654 0.0372 0.6296 0.044 Uiso 1 1 calc R . .
C14 C 0.2816(6) 0.1234(5) 0.4402(3) 0.038(2) Uani 1 1 d . . .
C15 C 0.2441(8) 0.0909(7) 0.3467(6) 0.090(5) Uani 1 1 d . . .
H15 H 0.2210 0.0662 0.3118 0.108 Uiso 1 1 calc R . .
C16 C 0.2462(7) 0.0738(5) 0.4045(5) 0.055(3) Uani 1 1 d . . .
H16 H 0.2267 0.0340 0.4190 0.066 Uiso 1 1 calc R . .
C17 C 0.0026(6) 0.1761(4) 0.6096(4) 0.041(2) Uani 1 1 d . . .
H17 H 0.0248 0.2125 0.6322 0.049 Uiso 1 1 calc R . .
C18 C -0.0065(6) 0.1789(4) 0.5453(3) 0.041(2) Uani 1 1 d . . .
H18 H 0.0083 0.2167 0.5251 0.049 Uiso 1 1 calc R . .
C19 C -0.0379(5) 0.1251(4) 0.5100(3) 0.033(2) Uani 1 1 d . . .
C20 C -0.0630(6) 0.0714(4) 0.5443(4) 0.046(2) Uani 1 1 d . . .
H20 H -0.0877 0.0346 0.5233 0.056 Uiso 1 1 calc R . .
C21 C -0.0515(6) 0.0727(4) 0.6077(4) 0.040(2) Uani 1 1 d . . .
H21 H -0.0673 0.0360 0.6294 0.048 Uiso 1 1 calc R . .
C22 C -0.0511(7) 0.1236(5) 0.4389(4) 0.047(2) Uani 1 1 d . . .
C23 C -0.0859(10) 0.0899(7) 0.3472(5) 0.088(5) Uani 1 1 d . . .
H23 H -0.1051 0.0633 0.3131 0.106 Uiso 1 1 calc R . .
C24 C -0.0866(6) 0.0746(5) 0.4046(4) 0.050(3) Uani 1 1 d . . .
H24 H -0.1085 0.0355 0.4197 0.059 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
N1 Cd1 N1 179.5(4) 2_556 .
N1 Cd1 Cl4 90.16(16) 2_556 .
N1 Cd1 Cl4 90.19(17) . .
N1 Cd1 Cl4 90.19(16) 2_556 2_556
N1 Cd1 Cl4 90.16(16) . 2_556
Cl4 Cd1 Cl4 90.87(8) . 2_556
N1 Cd1 Cl3 89.89(16) 2_556 2_556
N1 Cd1 Cl3 89.76(16) . 2_556
Cl4 Cd1 Cl3 179.93(7) . 2_556
Cl4 Cd1 Cl3 89.08(5) 2_556 2_556
N1 Cd1 Cl3 89.76(16) 2_556 .
N1 Cd1 Cl3 89.89(16) . .
Cl4 Cd1 Cl3 89.08(5) . .
Cl4 Cd1 Cl3 179.93(7) 2_556 .
Cl3 Cd1 Cl3 90.98(8) 2_556 .
N7 Cd2 N6 179.5(2) . .
N7 Cd2 Cl3 89.92(15) . .
N6 Cd2 Cl3 90.59(16) . .
N7 Cd2 Cl2 90.02(14) . .
N6 Cd2 Cl2 89.47(15) . .
Cl3 Cd2 Cl2 179.88(7) . .
N7 Cd2 Cl1 89.83(15) . .
N6 Cd2 Cl1 90.10(16) . .
Cl3 Cd2 Cl1 90.73(5) . .
Cl2 Cd2 Cl1 89.17(6) . .
N7 Cd2 Cl4 90.15(15) . .
N6 Cd2 Cl4 89.91(16) . .
Cl3 Cd2 Cl4 89.27(5) . .
Cl2 Cd2 Cl4 90.83(5) . .
Cl1 Cd2 Cl4 179.98(7) . .
Cd2 Cl1 Cd2 90.79(9) 2_656 .
Cd2 Cl2 Cd2 90.87(9) . 2_656
Cd2 Cl3 Cd1 90.82(5) . .
Cd2 Cl4 Cd1 90.83(5) . .
C17 N1 C21 117.9(6) . .
C17 N1 Cd1 120.2(6) . .
C21 N1 Cd1 122.0(5) . .
N3 N2 C22 99.4(9) . .
N2 N3 C23 109.5(9) . .
N2 N3 H3 125.2 . .
C23 N3 H3 125.2 . .
N5 N4 C15 110.3(10) . .
N5 N4 H4 124.9 . .
C15 N4 H4 124.9 . .
C14 N5 N4 100.5(9) . .
C9 N6 C13 114.8(6) . .
C9 N6 Cd2 123.5(5) . .
C13 N6 Cd2 121.7(5) . .
C6 N7 C7 117.0(7) . .
C6 N7 Cd2 122.2(5) . .
C7 N7 Cd2 120.8(5) . .
N9 N8 C2 102.4(10) . .
C3 N9 N8 109.4(11) . .
C3 N9 H9 125.3 . .
N8 N9 H9 125.3 . .
C3 C1 C2 107.5(11) . .
C3 C1 H1 126.2 . .
C2 C1 H1 126.2 . .
N8 C2 C1 110.1(8) . .
N8 C2 C4 126.4(8) . .
C1 C2 C4 123.4(8) . .
C1 C3 N9 110.5(12) . .
C1 C3 H3A 124.8 . .
N9 C3 H3A 124.7 . .
C8 C4 C5 115.7(7) . .
C8 C4 C2 120.5(8) . .
C5 C4 C2 123.8(7) . .
C6 C5 C4 119.3(7) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
N7 C6 C5 125.3(7) . .
N7 C6 H6 117.4 . .
C5 C6 H6 117.4 . .
N7 C7 C8 121.7(8) . .
N7 C7 H7 119.2 . .
C8 C7 H7 119.2 . .
C7 C8 C4 121.0(8) . .
C7 C8 H8 119.5 . .
C4 C8 H8 119.5 . .
N6 C9 C10 125.7(8) . .
N6 C9 H9A 117.1 . .
C10 C9 H9A 117.1 . .
C9 C10 C11 118.6(8) . .
C9 C10 H10 120.7 . .
C11 C10 H10 120.7 . .
C10 C11 C12 116.9(7) . .
C10 C11 C14 123.4(7) . .
C12 C11 C14 119.6(7) . .
C13 C12 C11 119.5(8) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 N6 124.4(8) . .
C12 C13 H13 117.8 . .
N6 C13 H13 117.8 . .
C16 C14 N5 113.9(7) . .
C16 C14 C11 126.6(9) . .
N5 C14 C11 119.4(8) . .
C16 C15 N4 107.6(10) . .
C16 C15 H15 126.2 . .
N4 C15 H15 126.2 . .
C15 C16 C14 107.7(10) . .
C15 C16 H16 126.2 . .
C14 C16 H16 126.2 . .
N1 C17 C18 123.0(8) . .
N1 C17 H17 118.5 . .
C18 C17 H17 118.5 . .
C17 C18 C19 120.0(8) . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C18 C19 C20 115.9(7) . .
C18 C19 C22 123.8(8) . .
C20 C19 C22 120.2(8) . .
C21 C20 C19 120.3(8) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
N1 C21 C20 122.9(8) . .
N1 C21 H21 118.5 . .
C20 C21 H21 118.5 . .
C24 C22 N2 114.1(8) . .
C24 C22 C19 125.0(9) . .
N2 C22 C19 120.9(9) . .
C24 C23 N3 109.1(11) . .
C24 C23 H23 125.5 . .
N3 C23 H23 125.5 . .
C23 C24 C22 107.9(11) . .
C23 C24 H24 126.0 . .
C22 C24 H24 126.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.320(5) 2_556
Cd1 N1 2.320(5) .
Cd1 Cl4 2.6824(18) .
Cd1 Cl4 2.6824(18) 2_556
Cd1 Cl3 2.6859(18) 2_556
Cd1 Cl3 2.6859(18) .
Cd2 N7 2.300(6) .
Cd2 N6 2.300(5) .
Cd2 Cl3 2.6779(18) .
Cd2 Cl2 2.679(2) .
Cd2 Cl1 2.680(2) .
Cd2 Cl4 2.6811(17) .
Cl1 Cd2 2.680(2) 2_656
Cl2 Cd2 2.679(2) 2_656
N1 C17 1.314(9) .
N1 C21 1.342(9) .
N2 N3 1.392(13) .
N2 C22 1.400(11) .
N3 C23 1.395(14) .
N3 H3 0.8600 .
N4 N5 1.379(12) .
N4 C15 1.405(14) .
N4 H4 0.8600 .
N5 C14 1.372(10) .
N6 C9 1.345(9) .
N6 C13 1.360(9) .
N7 C6 1.301(9) .
N7 C7 1.358(9) .
N8 N9 1.382(13) .
N8 C2 1.388(10) .
N9 C3 1.373(16) .
N9 H9 0.8600 .
C1 C3 1.258(14) .
C1 C2 1.390(11) .
C1 H1 0.9300 .
C2 C4 1.441(10) .
C3 H3A 0.9300 .
C4 C8 1.393(10) .
C4 C5 1.396(10) .
C5 C6 1.362(10) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.371(9) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.372(9) .
C9 H9A 0.9300 .
C10 C11 1.396(9) .
C10 H10 0.9300 .
C11 C12 1.419(9) .
C11 C14 1.459(9) .
C12 C13 1.359(9) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C16 1.338(11) .
C15 C16 1.284(13) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.369(9) .
C17 H17 0.9300 .
C18 C19 1.395(10) .
C18 H18 0.9300 .
C19 C20 1.395(11) .
C19 C22 1.512(9) .
C20 C21 1.349(9) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C24 1.312(11) .
C23 C24 1.267(13) .
C23 H23 0.9300 .
C24 H24 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N9 H9 Cl4 0.86 2.78 3.550(13) 149.1 7_557
N4 H4 Cl4 0.86 2.76 3.542(12) 152.6 7_556
N3 H3 Cl2 0.86 2.77 3.534(13) 149.0 7_556
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
N7 Cd2 Cl1 Cd2 -90.02(14) . . . 2_656
N6 Cd2 Cl1 Cd2 89.46(15) . . . 2_656
Cl3 Cd2 Cl1 Cd2 -179.94(5) . . . 2_656
Cl2 Cd2 Cl1 Cd2 0.0 . . . 2_656
Cl4 Cd2 Cl1 Cd2 -80(95) . . . 2_656
N7 Cd2 Cl2 Cd2 89.83(15) . . . 2_656
N6 Cd2 Cl2 Cd2 -90.11(16) . . . 2_656
Cl3 Cd2 Cl2 Cd2 30(35) . . . 2_656
Cl1 Cd2 Cl2 Cd2 0.0 . . . 2_656
Cl4 Cd2 Cl2 Cd2 179.98(5) . . . 2_656
N7 Cd2 Cl3 Cd1 90.21(15) . . . .
N6 Cd2 Cl3 Cd1 -89.85(16) . . . .
Cl2 Cd2 Cl3 Cd1 150(100) . . . .
Cl1 Cd2 Cl3 Cd1 -179.96(4) . . . .
Cl4 Cd2 Cl3 Cd1 0.05(5) . . . .
N1 Cd1 Cl3 Cd2 -90.22(16) 2_556 . . .
N1 Cd1 Cl3 Cd2 90.14(17) . . . .
Cl4 Cd1 Cl3 Cd2 -0.05(5) . . . .
Cl4 Cd1 Cl3 Cd2 -38(67) 2_556 . . .
Cl3 Cd1 Cl3 Cd2 179.90(8) 2_556 . . .
N7 Cd2 Cl4 Cd1 -89.97(15) . . . .
N6 Cd2 Cl4 Cd1 90.54(16) . . . .
Cl3 Cd2 Cl4 Cd1 -0.05(5) . . . .
Cl2 Cd2 Cl4 Cd1 -179.99(4) . . . .
Cl1 Cd2 Cl4 Cd1 -100(100) . . . .
N1 Cd1 Cl4 Cd2 89.82(17) 2_556 . . .
N1 Cd1 Cl4 Cd2 -89.83(16) . . . .
Cl4 Cd1 Cl4 Cd2 -179.99(8) 2_556 . . .
Cl3 Cd1 Cl4 Cd2 -142(100) 2_556 . . .
Cl3 Cd1 Cl4 Cd2 0.05(5) . . . .
N1 Cd1 N1 C17 -164.6(5) 2_556 . . .
Cl4 Cd1 N1 C17 -30.0(5) . . . .
Cl4 Cd1 N1 C17 60.9(5) 2_556 . . .
Cl3 Cd1 N1 C17 150.0(5) 2_556 . . .
Cl3 Cd1 N1 C17 -119.1(5) . . . .
N1 Cd1 N1 C21 16.0(6) 2_556 . . .
Cl4 Cd1 N1 C21 150.6(5) . . . .
Cl4 Cd1 N1 C21 -118.5(5) 2_556 . . .
Cl3 Cd1 N1 C21 -29.5(5) 2_556 . . .
Cl3 Cd1 N1 C21 61.5(5) . . . .
C22 N2 N3 C23 -0.4(11) . . . .
C15 N4 N5 C14 2.6(11) . . . .
N7 Cd2 N6 C9 -36(27) . . . .
Cl3 Cd2 N6 C9 150.6(5) . . . .
Cl2 Cd2 N6 C9 -29.5(5) . . . .
Cl1 Cd2 N6 C9 -118.6(5) . . . .
Cl4 Cd2 N6 C9 61.4(5) . . . .
N7 Cd2 N6 C13 144(26) . . . .
Cl3 Cd2 N6 C13 -28.8(5) . . . .
Cl2 Cd2 N6 C13 151.0(5) . . . .
Cl1 Cd2 N6 C13 61.9(5) . . . .
Cl4 Cd2 N6 C13 -118.1(5) . . . .
N6 Cd2 N7 C6 -112(27) . . . .
Cl3 Cd2 N7 C6 61.3(5) . . . .
Cl2 Cd2 N7 C6 -118.6(5) . . . .
Cl1 Cd2 N7 C6 -29.5(5) . . . .
Cl4 Cd2 N7 C6 150.5(5) . . . .
N6 Cd2 N7 C7 68(27) . . . .
Cl3 Cd2 N7 C7 -118.9(5) . . . .
Cl2 Cd2 N7 C7 61.2(5) . . . .
Cl1 Cd2 N7 C7 150.3(5) . . . .
Cl4 Cd2 N7 C7 -29.7(5) . . . .
C2 N8 N9 C3 2.0(12) . . . .
N9 N8 C2 C1 -0.8(9) . . . .
N9 N8 C2 C4 178.9(7) . . . .
C3 C1 C2 N8 -0.8(11) . . . .
C3 C1 C2 C4 179.5(8) . . . .
C2 C1 C3 N9 2.1(14) . . . .
N8 N9 C3 C1 -2.7(16) . . . .
N8 C2 C4 C8 0.7(11) . . . .
C1 C2 C4 C8 -179.7(7) . . . .
N8 C2 C4 C5 -179.4(8) . . . .
C1 C2 C4 C5 0.2(12) . . . .
C8 C4 C5 C6 0.2(11) . . . .
C2 C4 C5 C6 -179.7(7) . . . .
C7 N7 C6 C5 0.6(11) . . . .
Cd2 N7 C6 C5 -179.6(5) . . . .
C4 C5 C6 N7 -0.4(12) . . . .
C6 N7 C7 C8 -0.5(11) . . . .
Cd2 N7 C7 C8 179.7(5) . . . .
N7 C7 C8 C4 0.3(11) . . . .
C5 C4 C8 C7 -0.1(11) . . . .
C2 C4 C8 C7 179.8(6) . . . .
C13 N6 C9 C10 0.4(11) . . . .
Cd2 N6 C9 C10 -179.1(5) . . . .
N6 C9 C10 C11 -0.1(11) . . . .
C9 C10 C11 C12 -1.3(10) . . . .
C9 C10 C11 C14 -177.8(6) . . . .
C10 C11 C12 C13 2.4(10) . . . .
C14 C11 C12 C13 179.0(6) . . . .
C11 C12 C13 N6 -2.3(10) . . . .
C9 N6 C13 C12 0.8(10) . . . .
Cd2 N6 C13 C12 -179.7(5) . . . .
N4 N5 C14 C16 -1.7(10) . . . .
N4 N5 C14 C11 -178.9(6) . . . .
C10 C11 C14 C16 -178.8(8) . . . .
C12 C11 C14 C16 4.9(11) . . . .
C10 C11 C14 N5 -2.0(11) . . . .
C12 C11 C14 N5 -178.3(7) . . . .
N5 N4 C15 C16 -2.8(13) . . . .
N4 C15 C16 C14 1.6(12) . . . .
N5 C14 C16 C15 0.0(11) . . . .
C11 C14 C16 C15 177.0(8) . . . .
C21 N1 C17 C18 -0.7(11) . . . .
Cd1 N1 C17 C18 179.9(5) . . . .
N1 C17 C18 C19 -0.9(11) . . . .
C17 C18 C19 C20 2.6(10) . . . .
C17 C18 C19 C22 179.5(7) . . . .
C18 C19 C20 C21 -2.8(10) . . . .
C22 C19 C20 C21 -179.8(7) . . . .
C17 N1 C21 C20 0.5(11) . . . .
Cd1 N1 C21 C20 179.9(5) . . . .
C19 C20 C21 N1 1.3(12) . . . .
N3 N2 C22 C24 -0.8(10) . . . .
N3 N2 C22 C19 -179.7(7) . . . .
C18 C19 C22 C24 -176.1(8) . . . .
C20 C19 C22 C24 0.7(12) . . . .
C18 C19 C22 N2 2.7(11) . . . .
C20 C19 C22 N2 179.5(7) . . . .
N2 N3 C23 C24 1.6(14) . . . .
N3 C23 C24 C22 -2.0(13) . . . .
N2 C22 C24 C23 1.8(11) . . . .
C19 C22 C24 C23 -179.3(8) . . . .
