#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/89/4508976.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4508976
loop_
_publ_author_name
'Lan, Ya-Qian'
'Li, Shun-Li'
'Fu, Yao-Mei'
'Du, Dong-Ying'
'Zang, Hong-Ying'
'Shao, Kui-Zhan'
'Su, Zhong-Min'
'Fu, Qiang'
_publ_section_title
;
 Syntheses, Structures, and Luminescent Properties of Zinc(II) and
 Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole
 Derivatives and 1,4-Benzenedicarboxylate
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1353
_journal_paper_doi               10.1021/cg8005234
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C22 H16 Cd N4 O4'
_chemical_formula_weight         512.79
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.9500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.7330(7)
_cell_length_b                   10.2410(8)
_cell_length_c                   25.708(2)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.37
_cell_volume                     4166.6(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            12359
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.085
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.204
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1016
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0604P)²+15.5345P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1539
_reflns_number_gt                3107
_reflns_number_total             4890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8005234sup1.cif
_cod_data_source_block           4
_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     '-c 2yc'
_cod_original_sg_symbol_H-M      'c 2/c'
_cod_database_code               4508976
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
Cd Cd 0.28148(3) 0.21066(4) 0.128672(17) 0.04627(17) Uani 1 1 d .
O4 O 0.1315(3) 0.2933(5) 0.11434(19) 0.0657(13) Uani 1 1 d .
O3 O 0.2092(3) 0.3610(5) 0.0654(2) 0.0694(13) Uani 1 1 d .
N4 N 0.3944(3) 0.2541(5) 0.0963(2) 0.0532(13) Uani 1 1 d .
O1 O 0.2248(3) 0.0415(5) 0.0742(2) 0.0832(16) Uani 1 1 d .
N2 N 0.3312(3) 0.1460(5) 0.2180(2) 0.0553(13) Uani 1 1 d .
C19 C 0.1405(4) 0.3571(6) 0.0748(3) 0.0519(15) Uani 1 1 d .
N3 N 0.3292(3) 0.3981(6) 0.1914(2) 0.0595(14) Uani 1 1 d .
C20 C 0.0669(3) 0.4335(6) 0.0369(2) 0.0454(14) Uani 1 1 d .
C10 C 0.5411(4) 0.2576(7) 0.1075(3) 0.0567(17) Uani 1 1 d .
C4 C 0.3513(4) 0.3736(7) 0.2459(3) 0.0552(16) Uani 1 1 d .
C12 C 0.3802(4) 0.3120(6) 0.0478(3) 0.0539(16) Uani 1 1 d .
H12 H 0.3246 0.3285 0.0265 0.065 Uiso 1 1 calc R
C13 C 0.4432(4) 0.3484(7) 0.0278(3) 0.0576(17) Uani 1 1 d .
H13 H 0.4301 0.3893 -0.0063 0.069 Uiso 1 1 calc R
C16 C 0.2589(4) -0.1558(6) 0.0409(3) 0.0500(15) Uani 1 1 d .
C1 C 0.3370(4) 0.0259(7) 0.2412(3) 0.0645(19) Uani 1 1 d .
H1 H 0.3317 -0.0529 0.2225 0.077 Uiso 1 1 calc R
N1 N 0.3560(3) 0.1722(6) 0.3062(2) 0.0605(15) Uani 1 1 d .
C11 C 0.4754(4) 0.2238(7) 0.1251(3) 0.0592(17) Uani 1 1 d .
H11 H 0.4867 0.1784 0.1580 0.071 Uiso 1 1 calc R
C2 C 0.3517(4) 0.0389(8) 0.2962(3) 0.070(2) Uani 1 1 d .
H2 H 0.3576 -0.0277 0.3217 0.084 Uiso 1 1 calc R
C22 C 0.0777(4) 0.4995(7) -0.0068(3) 0.0545(16) Uani 1 1 d .
H22 H 0.1303 0.4989 -0.0117 0.065 Uiso 1 1 calc R
C3 C 0.3437(4) 0.2343(7) 0.2574(3) 0.0511(15) Uani 1 1 d .
C21 C -0.0119(4) 0.4331(6) 0.0435(3) 0.0545(16) Uani 1 1 d .
H21 H -0.0205 0.3876 0.0726 0.065 Uiso 1 1 calc R
C15 C 0.2724(5) -0.0522(7) 0.0840(3) 0.0579(17) Uani 1 1 d .
C14 C 0.5239(4) 0.3245(8) 0.0576(3) 0.069(2) Uani 1 1 d .
H14 H 0.5677 0.3520 0.0454 0.083 Uiso 1 1 calc R
C17 C 0.3125(5) -0.2639(6) 0.0505(3) 0.0613(18) Uani 1 1 d .
H17 H 0.3547 -0.2738 0.0843 0.074 Uiso 1 1 calc R
C18 C 0.1975(4) -0.1432(7) -0.0096(3) 0.0586(17) Uani 1 1 d .
H18 H 0.1618 -0.0710 -0.0164 0.070 Uiso 1 1 calc R
O2 O 0.3348(5) -0.0607(7) 0.1263(2) 0.117(2) Uani 1 1 d .
C9 C 0.6314(4) 0.2219(9) 0.1391(3) 0.075(2) Uani 1 1 d .
H9A H 0.6503 0.1565 0.1184 0.090 Uiso 1 1 calc R
H9B H 0.6665 0.2986 0.1419 0.090 Uiso 1 1 calc R
C8 C 0.3340(5) 0.5232(8) 0.1769(4) 0.084(2) Uani 1 1 d .
H8 H 0.3190 0.5422 0.1396 0.100 Uiso 1 1 calc R
C5 C 0.3780(5) 0.4717(8) 0.2839(4) 0.081(2) Uani 1 1 d .
H5 H 0.3943 0.4521 0.3212 0.098 Uiso 1 1 calc R
C6 C 0.3808(6) 0.5960(10) 0.2676(5) 0.106(3) Uani 1 1 d .
H6 H 0.3973 0.6626 0.2936 0.128 Uiso 1 1 calc R
C7 C 0.3592(7) 0.6239(10) 0.2129(5) 0.114(4) Uani 1 1 d .
H7 H 0.3617 0.7088 0.2006 0.136 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'
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
O1 Cd N2 110.4(2) . .
O1 Cd O3 93.3(2) . .
N2 Cd O3 148.5(2) . .
O1 Cd N4 98.7(2) . .
N2 Cd N4 109.97(19) . .
O3 Cd N4 85.43(17) . .
O1 Cd N3 173.53(19) . .
N2 Cd N3 68.39(19) . .
O3 Cd N3 85.68(19) . .
N4 Cd N3 87.55(19) . .
O1 Cd O4 88.24(18) . .
N2 Cd O4 105.19(18) . .
O3 Cd O4 53.57(16) . .
N4 Cd O4 138.83(17) . .
N3 Cd O4 86.02(17) . .
O1 Cd C19 89.25(19) . .
N2 Cd C19 129.7(2) . .
O3 Cd C19 26.61(18) . .
N4 Cd C19 112.04(19) . .
N3 Cd C19 86.99(18) . .
O4 Cd C19 27.05(17) . .
C19 O4 Cd 85.4(4) . .
C19 O3 Cd 98.5(4) . .
C12 N4 C11 117.2(6) . .
C12 N4 Cd 119.9(4) . .
C11 N4 Cd 122.9(4) . .
C15 O1 Cd 111.4(5) . .
C3 N2 C1 108.2(6) . .
C3 N2 Cd 119.3(4) . .
C1 N2 Cd 131.2(5) . .
O3 C19 O4 122.1(6) . .
O3 C19 C20 117.8(6) . .
O4 C19 C20 120.1(6) . .
O3 C19 Cd 54.8(3) . .
O4 C19 Cd 67.6(3) . .
C20 C19 Cd 170.8(5) . .
C8 N3 C4 116.3(7) . .
C8 N3 Cd 126.6(5) . .
C4 N3 Cd 117.0(4) . .
C22 C20 C21 119.0(5) . .
C22 C20 C19 119.0(5) . .
C21 C20 C19 121.9(6) . .
C11 C10 C14 118.8(6) . .
C11 C10 C9 122.2(6) . .
C14 C10 C9 118.9(6) . .
N3 C4 C5 121.2(7) . .
N3 C4 C3 112.1(6) . .
C5 C4 C3 126.7(7) . .
N4 C12 C13 123.4(6) . .
N4 C12 H12 118.3 . .
C13 C12 H12 118.3 . .
C14 C13 C12 119.4(6) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
C18 C16 C17 118.8(6) . .
C18 C16 C15 121.2(6) . .
C17 C16 C15 119.8(6) . .
N2 C1 C2 109.4(7) . .
N2 C1 H1 125.3 . .
C2 C1 H1 125.3 . .
C3 N1 C2 107.8(6) . .
C3 N1 C9 131.5(7) . 2_655
C2 N1 C9 120.6(6) . 2_655
N4 C11 C10 122.1(6) . .
N4 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C1 C2 N1 105.7(6) . .
C1 C2 H2 127.2 . .
N1 C2 H2 127.2 . .
C20 C22 C21 121.3(6) . 5_565
C20 C22 H22 119.3 . .
C21 C22 H22 119.3 5_565 .
N2 C3 N1 109.0(6) . .
N2 C3 C4 120.8(6) . .
N1 C3 C4 129.9(6) . .
C22 C21 C20 119.6(6) 5_565 .
C22 C21 H21 120.2 5_565 .
C20 C21 H21 120.2 . .
O1 C15 O2 122.8(7) . .
O1 C15 C16 118.3(7) . .
O2 C15 C16 118.7(7) . .
C13 C14 C10 118.8(7) . .
C13 C14 H14 120.6 . .
C10 C14 H14 120.6 . .
C18 C17 C16 119.8(6) 7_545 .
C18 C17 H17 120.1 7_545 .
C16 C17 H17 120.1 . .
C16 C18 C17 121.3(6) . 7_545
C16 C18 H18 119.3 . .
C17 C18 H18 119.3 7_545 .
N1 C9 C10 114.4(6) 2_655 .
N1 C9 H9A 108.6 2_655 .
C10 C9 H9A 108.6 . .
N1 C9 H9B 108.6 2_655 .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
N3 C8 C7 124.7(9) . .
N3 C8 H8 117.7 . .
C7 C8 H8 117.7 . .
C6 C5 C4 120.6(9) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 119.5(10) . .
C5 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C8 C7 C6 117.6(10) . .
C8 C7 H7 121.2 . .
C6 C7 H7 121.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd O1 2.236(5) .
Cd N2 2.272(5) .
Cd O3 2.280(5) .
Cd N4 2.342(5) .
Cd N3 2.467(6) .
Cd O4 2.558(5) .
Cd C19 2.758(6) .
O4 C19 1.258(8) .
O3 C19 1.249(7) .
N4 C12 1.329(8) .
N4 C11 1.353(7) .
O1 C15 1.220(8) .
N2 C3 1.323(8) .
N2 C1 1.357(8) .
C19 C20 1.516(8) .
N3 C8 1.343(9) .
N3 C4 1.351(8) .
C20 C22 1.372(8) .
C20 C21 1.383(8) .
C10 C11 1.363(9) .
C10 C14 1.398(9) .
C10 C9 1.510(9) .
C4 C5 1.371(10) .
C4 C3 1.471(9) .
C12 C13 1.366(9) .
C12 H12 0.9300 .
C13 C14 1.342(9) .
C13 H13 0.9300 .
C16 C18 1.375(9) .
C16 C17 1.395(9) .
C16 C15 1.497(9) .
C1 C2 1.359(10) .
C1 H1 0.9300 .
N1 C3 1.361(8) .
N1 C2 1.386(9) .
N1 C9 1.446(9) 2_655
C11 H11 0.9300 .
C2 H2 0.9300 .
C22 C21 1.380(8) 5_565
C22 H22 0.9300 .
C21 C22 1.380(8) 5_565
C21 H21 0.9300 .
C15 O2 1.243(8) .
C14 H14 0.9300 .
C17 C18 1.389(9) 7_545
C17 H17 0.9300 .
C18 C17 1.389(9) 7_545
C18 H18 0.9300 .
C9 N1 1.446(9) 2_655
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C8 C7 1.357(13) .
C8 H8 0.9300 .
C5 C6 1.346(12) .
C5 H5 0.9300 .
C6 C7 1.365(14) .
C6 H6 0.9300 .
C7 H7 0.9300 .
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
O1 Cd O4 C19 -91.8(4) . .
N2 Cd O4 C19 157.5(4) . .
O3 Cd O4 C19 3.6(4) . .
N4 Cd O4 C19 9.5(5) . .
N3 Cd O4 C19 91.2(4) . .
O1 Cd O3 C19 81.7(4) . .
N2 Cd O3 C19 -58.1(6) . .
N4 Cd O3 C19 -179.8(4) . .
N3 Cd O3 C19 -91.9(4) . .
O4 Cd O3 C19 -3.7(4) . .
O1 Cd N4 C12 74.6(5) . .
N2 Cd N4 C12 -169.9(5) . .
O3 Cd N4 C12 -18.1(5) . .
N3 Cd N4 C12 -103.9(5) . .
O4 Cd N4 C12 -22.8(6) . .
C19 Cd N4 C12 -18.2(5) . .
O1 Cd N4 C11 -106.0(5) . .
N2 Cd N4 C11 9.6(6) . .
O3 Cd N4 C11 161.4(5) . .
N3 Cd N4 C11 75.5(5) . .
O4 Cd N4 C11 156.6(5) . .
C19 Cd N4 C11 161.3(5) . .
N2 Cd O1 C15 -49.7(6) . .
O3 Cd O1 C15 151.4(5) . .
N4 Cd O1 C15 65.5(5) . .
O4 Cd O1 C15 -155.3(5) . .
C19 Cd O1 C15 177.7(5) . .
O1 Cd N2 C3 -160.0(5) . .
O3 Cd N2 C3 -23.5(7) . .
N4 Cd N2 C3 92.1(5) . .
N3 Cd N2 C3 13.2(5) . .
O4 Cd N2 C3 -66.2(5) . .
C19 Cd N2 C3 -53.1(6) . .
O1 Cd N2 C1 5.4(7) . .
O3 Cd N2 C1 141.9(6) . .
N4 Cd N2 C1 -102.5(6) . .
N3 Cd N2 C1 178.6(7) . .
O4 Cd N2 C1 99.3(6) . .
C19 Cd N2 C1 112.3(6) . .
Cd O3 C19 O4 7.1(7) . .
Cd O3 C19 C20 -173.5(5) . .
Cd O4 C19 O3 -6.3(6) . .
Cd O4 C19 C20 174.3(5) . .
O1 Cd C19 O3 -98.9(4) . .
N2 Cd C19 O3 144.8(4) . .
N4 Cd C19 O3 0.2(5) . .
N3 Cd C19 O3 86.4(4) . .
O4 Cd C19 O3 173.5(7) . .
O1 Cd C19 O4 87.6(4) . .
N2 Cd C19 O4 -28.7(5) . .
O3 Cd C19 O4 -173.5(7) . .
N4 Cd C19 O4 -173.3(4) . .
N3 Cd C19 O4 -87.1(4) . .
N2 Cd N3 C8 174.1(7) . .
O3 Cd N3 C8 -24.1(6) . .
N4 Cd N3 C8 61.5(6) . .
C19 Cd N3 C8 -50.7(6) . .
N2 Cd N3 C4 -7.1(4) . .
O3 Cd N3 C4 154.7(5) . .
N4 Cd N3 C4 -119.7(5) . .
O4 Cd N3 C4 100.9(5) . .
C19 Cd N3 C4 128.0(5) . .
O3 C19 C20 C22 2.2(9) . .
O4 C19 C20 C22 -178.3(6) . .
O3 C19 C20 C21 178.9(6) . .
O4 C19 C20 C21 -1.7(9) . .
C8 N3 C4 C5 -0.6(10) . .
Cd N3 C4 C5 -179.5(5) . .
C8 N3 C4 C3 179.9(6) . .
Cd N3 C4 C3 1.0(7) . .
C11 N4 C12 C13 -4.0(10) . .
Cd N4 C12 C13 175.5(5) . .
N4 C12 C13 C14 0.6(11) . .
C3 N2 C1 C2 1.3(8) . .
Cd N2 C1 C2 -165.4(5) . .
C12 N4 C11 C10 4.0(10) . .
Cd N4 C11 C10 -175.5(5) . .
C14 C10 C11 N4 -0.8(11) . .
C9 C10 C11 N4 -178.9(7) . .
N2 C1 C2 N1 -0.8(8) . .
C3 N1 C2 C1 0.1(8) . .
C9 N1 C2 C1 178.1(6) 2_655 .
C21 C20 C22 C21 1.0(11) . 5_565
C19 C20 C22 C21 177.8(6) . 5_565
C1 N2 C3 N1 -1.2(7) . .
Cd N2 C3 N1 167.3(4) . .
C1 N2 C3 C4 172.7(6) . .
Cd N2 C3 C4 -18.8(8) . .
C2 N1 C3 N2 0.7(7) . .
C9 N1 C3 N2 -177.1(6) 2_655 .
C2 N1 C3 C4 -172.4(6) . .
C9 N1 C3 C4 9.8(11) 2_655 .
N3 C4 C3 N2 11.1(8) . .
C5 C4 C3 N2 -168.3(7) . .
N3 C4 C3 N1 -176.4(6) . .
C5 C4 C3 N1 4.1(11) . .
C22 C20 C21 C22 -1.0(11) . 5_565
C19 C20 C21 C22 -177.7(6) . 5_565
Cd O1 C15 O2 14.8(10) . .
Cd O1 C15 C16 -160.1(5) . .
C18 C16 C15 O1 3.4(10) . .
C17 C16 C15 O1 179.7(7) . .
C18 C16 C15 O2 -171.7(7) . .
C17 C16 C15 O2 4.6(10) . .
C12 C13 C14 C10 2.8(11) . .
C11 C10 C14 C13 -2.7(11) . .
C9 C10 C14 C13 175.5(7) . .
C18 C16 C17 C18 -0.5(11) . 7_545
C15 C16 C17 C18 -176.9(6) . 7_545
C17 C16 C18 C17 0.5(11) . 7_545
C15 C16 C18 C17 176.8(6) . 7_545
C11 C10 C9 N1 -11.3(11) . 2_655
C14 C10 C9 N1 170.5(7) . 2_655
C4 N3 C8 C7 0.0(13) . .
Cd N3 C8 C7 178.8(8) . .
N3 C4 C5 C6 1.6(12) . .
C3 C4 C5 C6 -179.0(8) . .
C4 C5 C6 C7 -1.9(15) . .
N3 C8 C7 C6 -0.3(16) . .
C5 C6 C7 C8 1.3(17) . .
