#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/33/8103324.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_8103324
loop_
_publ_author_name
'Fu-Yu Wang'
'Shu-Fang Lou'
'Shi-Kun Hai'
_publ_section_title
;
 Crystal structure of
 catena-bis(m-dicyanamido)-bis[2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide-kN)-
 zinc(II) --- 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide
 (1:2), Zn(C12H16N3O2)2(C2N3)2 · 2C52H64N18O8
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              107
_journal_volume                  227
_journal_year                    2012
_chemical_formula_sum            'C52 H64 N18 O8 Zn'
_chemical_formula_weight         1134.58
_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                 92.9020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.8251(17)
_cell_length_b                   7.3268(7)
_cell_length_c                   21.182(2)
_cell_measurement_reflns_used    3540
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      23.32
_cell_measurement_theta_min      2.92
_cell_volume                     2762.8(5)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  '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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16631
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.8996
_exptl_absorpt_correction_T_min  0.8526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.217
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0372
_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)+(0.0382P)²+0.9037P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                3782
_reflns_number_total             5137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3661.cff
_cod_data_source_block           e
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2762.9(5)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               8103324
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
Zn1 Zn 0.5000 0.5000 0.0000 0.03218(12) Uani 1 2 d S
O1 O 0.51022(9) 0.3351(3) 0.33778(7) 0.0554(5) Uani 1 1 d .
O2 O 0.27564(9) 0.5428(3) 0.26973(8) 0.0646(6) Uani 1 1 d .
O3 O 0.66733(10) 0.2211(3) 0.22488(8) 0.0608(5) Uani 1 1 d .
O4 O 0.56962(11) -0.1170(3) 0.38481(10) 0.0856(7) Uani 1 1 d .
N1 N 0.46664(10) 0.4691(2) 0.09608(8) 0.0337(4) Uani 1 1 d .
N2 N 0.44174(10) 0.3845(3) 0.33641(8) 0.0375(5) Uani 1 1 d .
N3 N 0.32948(10) 0.4768(3) 0.30417(8) 0.0402(5) Uani 1 1 d .
N4 N 0.41051(12) -0.0814(3) 0.17053(12) 0.0607(6) Uani 1 1 d .
N5 N 0.65851(10) 0.1465(3) 0.27857(8) 0.0366(4) Uani 1 1 d .
N6 N 0.61188(11) -0.0119(3) 0.35427(9) 0.0453(5) Uani 1 1 d .
N7 N 0.41667(11) 0.7078(3) -0.01567(9) 0.0447(5) Uani 1 1 d .
N8 N 0.35352(11) 1.0008(3) -0.03297(12) 0.0556(6) Uani 1 1 d .
N9 N 0.41780(11) 1.2947(3) -0.02907(9) 0.0423(5) Uani 1 1 d .
C1 C 0.51644(13) 0.4762(3) 0.14509(10) 0.0383(5) Uani 1 1 d .
H1 H 0.5669 0.4905 0.1369 0.046 Uiso 1 1 calc R
C2 C 0.49758(13) 0.4638(3) 0.20712(10) 0.0392(6) Uani 1 1 d .
H2 H 0.5345 0.4705 0.2397 0.047 Uiso 1 1 calc R
C3 C 0.42255(12) 0.4410(3) 0.22061(10) 0.0328(5) Uani 1 1 d .
C4 C 0.37050(13) 0.4293(3) 0.16953(10) 0.0403(6) Uani 1 1 d .
H4 H 0.3199 0.4111 0.1761 0.048 Uiso 1 1 calc R
C5 C 0.39480(13) 0.4451(3) 0.10932(10) 0.0402(6) Uani 1 1 d .
H5 H 0.3592 0.4387 0.0758 0.048 Uiso 1 1 calc R
C6 C 0.39865(12) 0.4327(3) 0.28534(10) 0.0350(5) Uani 1 1 d .
C7 C 0.32031(13) 0.4269(4) 0.37210(10) 0.0434(6) Uani 1 1 d .
C8 C 0.40279(13) 0.4162(4) 0.39655(10) 0.0447(6) Uani 1 1 d .
C9 C 0.28013(16) 0.2420(4) 0.37065(13) 0.0714(9) Uani 1 1 d .
H9A H 0.2351 0.2500 0.3440 0.107 Uiso 1 1 calc R
H9B H 0.2675 0.2093 0.4127 0.107 Uiso 1 1 calc R
H9C H 0.3126 0.1507 0.3544 0.107 Uiso 1 1 calc R
C10 C 0.27146(16) 0.5665(5) 0.40300(13) 0.0737(9) Uani 1 1 d .
H10A H 0.2925 0.6860 0.3981 0.110 Uiso 1 1 calc R
H10B H 0.2692 0.5390 0.4472 0.110 Uiso 1 1 calc R
H10C H 0.2218 0.5631 0.3833 0.110 Uiso 1 1 calc R
C11 C 0.42274(16) 0.2659(5) 0.44324(12) 0.0726(9) Uani 1 1 d .
H11A H 0.4066 0.1506 0.4258 0.109 Uiso 1 1 calc R
H11B H 0.3982 0.2877 0.4818 0.109 Uiso 1 1 calc R
H11C H 0.4761 0.2638 0.4518 0.109 Uiso 1 1 calc R
C12 C 0.43361(17) 0.5994(5) 0.42181(14) 0.0754(10) Uani 1 1 d .
H12A H 0.4875 0.5948 0.4251 0.113 Uiso 1 1 calc R
H12B H 0.4149 0.6225 0.4627 0.113 Uiso 1 1 calc R
H12C H 0.4178 0.6955 0.3934 0.113 Uiso 1 1 calc R
C13 C 0.47674(15) -0.0408(4) 0.14830(13) 0.0579(7) Uani 1 1 d .
H13 H 0.4803 -0.0365 0.1047 0.070 Uiso 1 1 calc R
C14 C 0.54102(14) -0.0043(3) 0.18570(11) 0.0474(6) Uani 1 1 d .
H14 H 0.5860 0.0235 0.1674 0.057 Uiso 1 1 calc R
C15 C 0.53718(12) -0.0099(3) 0.25079(11) 0.0380(5) Uani 1 1 d .
C16 C 0.46842(13) -0.0542(4) 0.27456(13) 0.0491(6) Uani 1 1 d .
H16 H 0.4633 -0.0616 0.3180 0.059 Uiso 1 1 calc R
C17 C 0.40788(15) -0.0871(4) 0.23325(15) 0.0607(8) Uani 1 1 d .
H17 H 0.3622 -0.1151 0.2502 0.073 Uiso 1 1 calc R
C18 C 0.60127(12) 0.0373(3) 0.29321(10) 0.0353(5) Uani 1 1 d .
C19 C 0.68390(12) 0.0559(3) 0.38440(10) 0.0378(5) Uani 1 1 d .
C20 C 0.70958(12) 0.1955(3) 0.33457(10) 0.0364(5) Uani 1 1 d .
C21 C 0.66799(18) 0.1383(4) 0.44826(12) 0.0716(9) Uani 1 1 d .
H21A H 0.6305 0.2318 0.4427 0.107 Uiso 1 1 calc R
H21B H 0.7133 0.1904 0.4669 0.107 Uiso 1 1 calc R
H21C H 0.6501 0.0448 0.4755 0.107 Uiso 1 1 calc R
C22 C 0.73516(16) -0.1097(4) 0.39413(14) 0.0643(8) Uani 1 1 d .
H22A H 0.7112 -0.1984 0.4197 0.096 Uiso 1 1 calc R
H22B H 0.7817 -0.0724 0.4150 0.096 Uiso 1 1 calc R
H22C H 0.7448 -0.1625 0.3539 0.096 Uiso 1 1 calc R
C23 C 0.69367(15) 0.3943(3) 0.35000(13) 0.0546(7) Uani 1 1 d .
H23A H 0.7041 0.4694 0.3143 0.082 Uiso 1 1 calc R
H23B H 0.7250 0.4314 0.3859 0.082 Uiso 1 1 calc R
H23C H 0.6419 0.4076 0.3595 0.082 Uiso 1 1 calc R
C24 C 0.79075(13) 0.1759(4) 0.31617(12) 0.0521(7) Uani 1 1 d .
H24A H 0.7994 0.0530 0.3026 0.078 Uiso 1 1 calc R
H24B H 0.8240 0.2037 0.3520 0.078 Uiso 1 1 calc R
H24C H 0.8000 0.2587 0.2823 0.078 Uiso 1 1 calc R
C25 C 0.38945(12) 0.8482(3) -0.02309(10) 0.0340(5) Uani 1 1 d .
C26 C 0.39046(12) 1.1536(3) -0.02975(10) 0.0333(5) 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'
Zn Zn 0.2839 1.4301 '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
N7 Zn1 N7 180.00(14) . 3_665
N7 Zn1 N1 89.93(7) . .
N7 Zn1 N1 90.07(7) 3_665 .
N7 Zn1 N1 90.07(7) . 3_665
N7 Zn1 N1 89.93(7) 3_665 3_665
N1 Zn1 N1 180.00(9) . 3_665
N7 Zn1 N9 90.25(7) . 3_675
N7 Zn1 N9 89.75(7) 3_665 3_675
N1 Zn1 N9 91.12(7) . 3_675
N1 Zn1 N9 88.88(7) 3_665 3_675
N7 Zn1 N9 89.75(7) . 1_545
N7 Zn1 N9 90.25(7) 3_665 1_545
N1 Zn1 N9 88.88(7) . 1_545
N1 Zn1 N9 91.12(7) 3_665 1_545
N9 Zn1 N9 180.00(13) 3_675 1_545
C1 N1 C5 116.70(18) . .
C1 N1 Zn1 121.70(14) . .
C5 N1 Zn1 121.59(14) . .
O1 N2 C6 127.07(18) . .
O1 N2 C8 120.64(17) . .
C6 N2 C8 111.92(18) . .
O2 N3 C6 126.44(18) . .
O2 N3 C7 121.79(17) . .
C6 N3 C7 111.67(18) . .
C13 N4 C17 116.0(2) . .
O3 N5 C18 126.02(19) . .
O3 N5 C20 120.26(17) . .
C18 N5 C20 113.35(18) . .
O4 N6 C18 126.2(2) . .
O4 N6 C19 120.13(19) . .
C18 N6 C19 113.47(18) . .
C25 N7 Zn1 161.09(19) . .
C26 N8 C25 119.2(2) . .
C26 N9 Zn1 155.95(19) . 1_565
N1 C1 C2 123.8(2) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C1 C2 C3 119.2(2) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 117.22(19) . .
C2 C3 C6 121.9(2) . .
C4 C3 C6 120.91(19) . .
C5 C4 C3 119.2(2) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
N1 C5 C4 123.9(2) . .
N1 C5 H5 118.1 . .
C4 C5 H5 118.1 . .
N2 C6 N3 108.54(18) . .
N2 C6 C3 125.93(19) . .
N3 C6 C3 125.51(19) . .
N3 C7 C10 110.1(2) . .
N3 C7 C9 105.6(2) . .
C10 C7 C9 109.1(2) . .
N3 C7 C8 100.77(16) . .
C10 C7 C8 116.8(2) . .
C9 C7 C8 113.6(2) . .
N2 C8 C11 109.8(2) . .
N2 C8 C7 101.42(17) . .
C11 C8 C7 116.6(2) . .
N2 C8 C12 104.97(19) . .
C11 C8 C12 109.9(2) . .
C7 C8 C12 113.1(2) . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C8 C12 H12A 109.5 . .
C8 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C8 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N4 C13 C14 124.4(3) . .
N4 C13 H13 117.8 . .
C14 C13 H13 117.8 . .
C15 C14 C13 118.8(2) . .
C15 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
C14 C15 C16 117.2(2) . .
C14 C15 C18 122.0(2) . .
C16 C15 C18 120.7(2) . .
C17 C16 C15 119.3(2) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
N4 C17 C16 124.2(3) . .
N4 C17 H17 117.9 . .
C16 C17 H17 117.9 . .
N5 C18 N6 108.02(19) . .
N5 C18 C15 125.3(2) . .
N6 C18 C15 126.6(2) . .
N6 C19 C21 108.5(2) . .
N6 C19 C22 106.8(2) . .
C21 C19 C22 109.4(2) . .
N6 C19 C20 101.85(17) . .
C21 C19 C20 114.6(2) . .
C22 C19 C20 114.80(19) . .
N5 C20 C23 106.61(19) . .
N5 C20 C24 108.71(18) . .
C23 C20 C24 109.5(2) . .
N5 C20 C19 101.05(16) . .
C23 C20 C19 114.77(19) . .
C24 C20 C19 115.32(19) . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N7 C25 N8 175.3(3) . .
N9 C26 N8 174.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N7 2.141(2) .
Zn1 N7 2.141(2) 3_665
Zn1 N1 2.1609(17) .
Zn1 N1 2.1609(17) 3_665
Zn1 N9 2.167(2) 3_675
Zn1 N9 2.167(2) 1_545
O1 N2 1.272(2) .
O2 N3 1.272(2) .
O3 N5 1.278(2) .
O4 N6 1.276(2) .
N1 C1 1.332(3) .
N1 C5 1.336(3) .
N2 C6 1.342(3) .
N2 C8 1.500(3) .
N3 C6 1.354(3) .
N3 C7 1.501(3) .
N4 C13 1.327(3) .
N4 C17 1.332(4) .
N5 C18 1.345(3) .
N5 C20 1.502(3) .
N6 C18 1.347(3) .
N6 C19 1.490(3) .
N7 C25 1.145(3) .
N8 C26 1.299(3) .
N8 C25 1.300(3) .
N9 C26 1.143(3) .
N9 Zn1 2.167(2) 1_565
C1 C2 1.376(3) .
C1 H1 0.9300 .
C2 C3 1.392(3) .
C2 H2 0.9300 .
C3 C4 1.392(3) .
C3 C6 1.458(3) .
C4 C5 1.372(3) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C7 C10 1.513(4) .
C7 C9 1.532(4) .
C7 C8 1.536(3) .
C8 C11 1.511(4) .
C8 C12 1.536(4) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.386(3) .
C13 H13 0.9300 .
C14 C15 1.385(3) .
C14 H14 0.9300 .
C15 C16 1.387(3) .
C15 C18 1.459(3) .
C16 C17 1.376(3) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C19 C21 1.521(3) .
C19 C22 1.527(3) .
C19 C20 1.555(3) .
C20 C23 1.523(3) .
C20 C24 1.524(3) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
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
N7 Zn1 N1 C1 -127.94(17) .
N7 Zn1 N1 C1 52.06(17) 3_665
N1 Zn1 N1 C1 -177(100) 3_665
N9 Zn1 N1 C1 -37.68(17) 3_675
N9 Zn1 N1 C1 142.32(17) 1_545
N7 Zn1 N1 C5 50.82(17) .
N7 Zn1 N1 C5 -129.18(17) 3_665
N1 Zn1 N1 C5 2(100) 3_665
N9 Zn1 N1 C5 141.07(17) 3_675
N9 Zn1 N1 C5 -38.93(17) 1_545
N7 Zn1 N7 C25 -138(100) 3_665
N1 Zn1 N7 C25 106.1(6) .
N1 Zn1 N7 C25 -73.9(6) 3_665
N9 Zn1 N7 C25 15.0(6) 3_675
N9 Zn1 N7 C25 -165.0(6) 1_545
C5 N1 C1 C2 -1.2(3) .
Zn1 N1 C1 C2 177.60(17) .
N1 C1 C2 C3 0.5(4) .
C1 C2 C3 C4 1.0(3) .
C1 C2 C3 C6 -178.0(2) .
C2 C3 C4 C5 -1.6(3) .
C6 C3 C4 C5 177.4(2) .
C1 N1 C5 C4 0.5(3) .
Zn1 N1 C5 C4 -178.31(18) .
C3 C4 C5 N1 0.9(4) .
O1 N2 C6 N3 -179.7(2) .
C8 N2 C6 N3 -6.7(3) .
O1 N2 C6 C3 -1.2(4) .
C8 N2 C6 C3 171.8(2) .
O2 N3 C6 N2 173.9(2) .
C7 N3 C6 N2 -9.8(3) .
O2 N3 C6 C3 -4.6(4) .
C7 N3 C6 C3 171.7(2) .
C2 C3 C6 N2 -23.7(4) .
C4 C3 C6 N2 157.3(2) .
C2 C3 C6 N3 154.5(2) .
C4 C3 C6 N3 -24.4(4) .
O2 N3 C7 C10 -38.6(3) .
C6 N3 C7 C10 144.9(2) .
O2 N3 C7 C9 79.1(3) .
C6 N3 C7 C9 -97.4(2) .
O2 N3 C7 C8 -162.5(2) .
C6 N3 C7 C8 21.0(3) .
O1 N2 C8 C11 -43.3(3) .
C6 N2 C8 C11 143.2(2) .
O1 N2 C8 C7 -167.2(2) .
C6 N2 C8 C7 19.3(3) .
O1 N2 C8 C12 74.9(3) .
C6 N2 C8 C12 -98.6(2) .
N3 C7 C8 N2 -22.3(2) .
C10 C7 C8 N2 -141.4(2) .
C9 C7 C8 N2 90.2(2) .
N3 C7 C8 C11 -141.5(2) .
C10 C7 C8 C11 99.3(3) .
C9 C7 C8 C11 -29.0(3) .
N3 C7 C8 C12 89.6(2) .
C10 C7 C8 C12 -29.6(3) .
C9 C7 C8 C12 -157.9(2) .
C17 N4 C13 C14 -0.3(4) .
N4 C13 C14 C15 0.0(4) .
C13 C14 C15 C16 0.7(4) .
C13 C14 C15 C18 -176.4(2) .
C14 C15 C16 C17 -1.0(4) .
C18 C15 C16 C17 176.0(2) .
C13 N4 C17 C16 -0.1(4) .
C15 C16 C17 N4 0.8(4) .
O3 N5 C18 N6 -179.5(2) .
C20 N5 C18 N6 -6.5(3) .
O3 N5 C18 C15 -2.6(4) .
C20 N5 C18 C15 170.4(2) .
O4 N6 C18 N5 -179.0(2) .
C19 N6 C18 N5 -4.1(3) .
O4 N6 C18 C15 4.2(4) .
C19 N6 C18 C15 179.1(2) .
C14 C15 C18 N5 24.4(4) .
C16 C15 C18 N5 -152.5(2) .
C14 C15 C18 N6 -159.3(2) .
C16 C15 C18 N6 23.8(4) .
O4 N6 C19 C21 -51.3(3) .
C18 N6 C19 C21 133.4(2) .
O4 N6 C19 C22 66.6(3) .
C18 N6 C19 C22 -108.7(2) .
O4 N6 C19 C20 -172.7(2) .
C18 N6 C19 C20 12.1(2) .
O3 N5 C20 C23 66.6(3) .
C18 N5 C20 C23 -106.8(2) .
O3 N5 C20 C24 -51.4(3) .
C18 N5 C20 C24 135.2(2) .
O3 N5 C20 C19 -173.18(19) .
C18 N5 C20 C19 13.4(2) .
N6 C19 C20 N5 -13.9(2) .
C21 C19 C20 N5 -130.9(2) .
C22 C19 C20 N5 101.1(2) .
N6 C19 C20 C23 100.3(2) .
C21 C19 C20 C23 -16.7(3) .
C22 C19 C20 C23 -144.7(2) .
N6 C19 C20 C24 -131.0(2) .
C21 C19 C20 C24 112.1(2) .
C22 C19 C20 C24 -15.9(3) .
Zn1 N7 C25 N8 167(3) .
C26 N8 C25 N7 -172(3) .
Zn1 N9 C26 N8 162(2) 1_565
C25 N8 C26 N9 168(2) .
