#------------------------------------------------------------------------------
#$Date: 2016-10-19 04:34:00 +0300 (Wed, 19 Oct 2016) $
#$Revision: 187413 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544313.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_1544313
loop_
_publ_author_name
'Kuramoto, Takahiro'
'Sadakiyo, Masaaki'
'Yamauchi, Miho'
_publ_section_title
;
 Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ³N¹,N²:N³}(nitrato-κO)dizinc(II)]
;
_journal_coeditor_code           WM4025
_journal_issue                   10
_journal_name_full               IUCrData
_journal_page_first              x161626
_journal_paper_doi               10.1107/S2414314616016266
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Zn2 (C6 H10 N3)3 (N O3)]'
_chemical_formula_moiety         'C18 H30 N10 O3 Zn2'
_chemical_formula_sum            'C18 H30 N10 O3 Zn2'
_chemical_formula_weight         565.26
_chemical_name_systematic
Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ³N¹,N²:N³}(nitrato-κO)dizinc(II)]
_space_group_IT_number           169
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   9.2437(8)
_cell_length_b                   9.2437(8)
_cell_length_c                   47.683(4)
_cell_measurement_reflns_used    9942
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.84
_cell_measurement_theta_min      2.54
_cell_volume                     3528.5(5)
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_collection
;
APEX2 (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
Yadokari-XG (Kabuto et al., 2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SIR2002 (Burla et al., 2003)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and 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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            21198
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    2.081
_exptl_absorpt_correction_T_max  0.8189
_exptl_absorpt_correction_T_min  0.8189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2007)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.856
_refine_diff_density_min         -0.259
_refine_ls_abs_structure_details
;
Flack (1983), 2004 Friedel pairs
;
_refine_ls_abs_structure_Flack   0.010(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5835
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0246
_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)+(0.0286P)²+1.2071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                5595
_reflns_number_total             5835
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm4025sup1.cif
_cod_data_source_block           I
_cod_database_code               1544313
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'x-y, x, z+1/6'
'y, -x+y, z+5/6'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Zn Zn1 0.96338(4) 0.51358(3) 0.423976(5) 0.02299(7) Uani d . 1 1
Zn Zn2 0.91659(3) 0.90826(3) 0.517388(5) 0.01875(6) Uani d . 1 1
N N1 1.0431(2) 0.7009(2) 0.39668(4) 0.0187(4) Uani d . 1 1
N N2 0.8514(2) 0.7160(2) 0.49260(4) 0.0189(4) Uani d . 1 1
N N3 1.1380(2) 1.0233(2) 0.53585(4) 0.0191(4) Uani d . 1 1
N N4 0.8770(2) 0.5671(2) 0.45813(4) 0.0188(4) Uani d . 1 1
N N5 0.8621(3) 0.2810(2) 0.41073(4) 0.0227(4) Uani d . 1 1
N N6 0.7489(2) 0.8132(2) 0.55003(4) 0.0204(4) Uani d . 1 1
N N7 0.6872(2) 0.4885(2) 0.39504(4) 0.0213(4) Uani d . 1 1
C C1 0.9489(3) 0.7127(3) 0.47207(5) 0.0172(4) Uani d . 1 1
N N8 1.1186(2) 1.0145(2) 0.46746(4) 0.0215(4) Uani d . 1 1
N N9 0.8060(2) 1.0574(2) 0.51150(4) 0.0214(4) Uani d . 1 1
C C2 0.7078(3) 0.5625(3) 0.49164(5) 0.0220(4) Uani d . 1 1
H H1 0.6137 0.5261 0.5036 0.026 Uiso calc R 1 1
N N10 1.2858(3) 0.5830(3) 0.44997(5) 0.0295(5) Uani d . 1 1
C C3 0.9140(3) 0.2259(3) 0.38929(5) 0.0201(4) Uani d . 1 1
C C4 1.2009(3) 0.8129(3) 0.38672(5) 0.0233(5) Uani d . 1 1
H H2 1.3008 0.8116 0.3908 0.028 Uiso calc R 1 1
C C5 1.1198(3) 0.8562(3) 0.46715(5) 0.0192(4) Uani d . 1 1
H H3 1.1962 0.8583 0.4819 0.023 Uiso calc R 1 1
H H4 1.1617 0.8426 0.4488 0.023 Uiso calc R 1 1
C C6 0.6743(3) 0.6850(3) 0.56929(5) 0.0238(5) Uani d . 1 1
H H5 0.6916 0.5922 0.5708 0.029 Uiso calc R 1 1
C C7 0.7236(3) 0.4722(3) 0.47082(5) 0.0234(5) Uani d . 1 1
H H6 0.6422 0.3615 0.4657 0.028 Uiso calc R 1 1
C C8 1.2627(3) 1.1880(3) 0.53668(5) 0.0237(5) Uani d . 1 1
H H7 1.2616 1.2777 0.5272 0.028 Uiso calc R 1 1
C C9 0.9425(3) 0.7511(3) 0.38563(5) 0.0170(4) Uani d . 1 1
C C10 0.6820(3) 0.4142(3) 0.36753(5) 0.0280(5) Uani d . 1 1
H H8 0.6079 0.4310 0.3550 0.042 Uiso calc R 1 1
H H9 0.6400 0.2943 0.3698 0.042 Uiso calc R 1 1
H H10 0.7948 0.4677 0.3595 0.042 Uiso calc R 1 1
C C11 0.7485(3) 1.0731(3) 0.53982(5) 0.0235(5) Uani d . 1 1
H H11 0.6570 1.0987 0.5380 0.028 Uiso calc R 1 1
H H12 0.8417 1.1662 0.5501 0.028 Uiso calc R 1 1
C C12 0.7593(3) 0.6679(3) 0.39220(5) 0.0198(4) Uani d . 1 1
H H13 0.7430 0.7142 0.4099 0.024 Uiso calc R 1 1
H H14 0.7011 0.6917 0.3770 0.024 Uiso calc R 1 1
C C13 0.6598(3) 0.9608(3) 0.49275(5) 0.0292(5) Uani d . 1 1
H H15 0.5967 1.0196 0.4910 0.044 Uiso calc R 1 1
H H16 0.5877 0.8496 0.5007 0.044 Uiso calc R 1 1
H H17 0.6989 0.9496 0.4742 0.044 Uiso calc R 1 1
C C14 1.0359(3) 1.0285(3) 0.44220(5) 0.0285(5) Uani d . 1 1
H H18 1.0997 1.0314 0.4256 0.043 Uiso calc R 1 1
H H19 1.0301 1.1314 0.4431 0.043 Uiso calc R 1 1
H H20 0.9227 0.9321 0.4410 0.043 Uiso calc R 1 1
C C15 0.9136(4) 1.2257(3) 0.49959(6) 0.0308(5) Uani d . 1 1
H H21 0.9518 1.2155 0.4809 0.046 Uiso calc R 1 1
H H22 1.0105 1.2891 0.5118 0.046 Uiso calc R 1 1
H H23 0.8499 1.2841 0.4981 0.046 Uiso calc R 1 1
C C16 0.7148(3) 0.1427(3) 0.41900(5) 0.0260(5) Uani d . 1 1
H H24 0.6451 0.1404 0.4338 0.031 Uiso calc R 1 1
C C17 1.2918(3) 1.1527(3) 0.46788(6) 0.0322(6) Uani d . 1 1
H H25 1.3490 1.1496 0.4508 0.048 Uiso calc R 1 1
H H26 1.3493 1.1417 0.4843 0.048 Uiso calc R 1 1
H H27 1.2927 1.2591 0.4688 0.048 Uiso calc R 1 1
C C18 0.5178(3) 0.4166(4) 0.40630(6) 0.0340(6) Uani d . 1 1
H H28 0.5221 0.4640 0.4249 0.051 Uiso calc R 1 1
H H29 0.4678 0.2952 0.4079 0.051 Uiso calc R 1 1
H H30 0.4500 0.4424 0.3937 0.051 Uiso calc R 1 1
O O1 1.2289(5) 0.5962(6) 0.42732(8) 0.0351(9) Uani d P 0.50 1
O O2 1.1877(7) 0.4844(8) 0.46768(10) 0.0545(13) Uani d P 0.50 1
O O3 1.4340(5) 0.6432(7) 0.45486(11) 0.0483(11) Uani d P 0.50 1
O O4 1.3830(9) 0.7235(7) 0.44125(15) 0.092(2) Uani d P 0.50 1
O O5 1.1560(6) 0.4869(6) 0.43798(13) 0.0569(14) Uani d P 0.50 1
O O6 1.3130(11) 0.5543(7) 0.47393(11) 0.086(2) Uani d P 0.50 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N5 Zn1 N4 . . 120.32(8)
N5 Zn1 N1 . . 120.45(8)
N4 Zn1 N1 . . 109.89(8)
N5 Zn1 O5 . . 86.57(15)
N4 Zn1 O5 . . 104.32(19)
N1 Zn1 O5 . . 110.81(19)
N5 Zn1 O1 . . 104.05(14)
N4 Zn1 O1 . . 112.07(12)
N1 Zn1 O1 . . 83.14(12)
O5 Zn1 O1 . . 27.90(18)
N2 Zn2 N3 . . 121.43(8)
N2 Zn2 N6 . . 104.15(8)
N3 Zn2 N6 . . 104.40(8)
N2 Zn2 N9 . . 118.88(8)
N3 Zn2 N9 . . 114.69(8)
N6 Zn2 N9 . . 82.62(8)
C9 N1 C4 . . 105.11(19)
C9 N1 Zn1 . . 122.68(15)
C4 N1 Zn1 . . 132.00(16)
C1 N2 C2 . . 105.33(19)
C1 N2 Zn2 . . 123.71(15)
C2 N2 Zn2 . . 130.96(15)
C9 N3 C8 5_655 . 105.18(19)
C9 N3 Zn2 5_655 . 122.17(15)
C8 N3 Zn2 . . 132.59(16)
C1 N4 C7 . . 104.87(18)
C1 N4 Zn1 . . 126.74(15)
C7 N4 Zn1 . . 128.02(15)
C3 N5 C16 . . 104.0(2)
C3 N5 Zn1 . . 126.65(17)
C16 N5 Zn1 . . 128.99(16)
C3 N6 C6 5 . 104.74(19)
C3 N6 Zn2 5 . 110.60(15)
C6 N6 Zn2 . . 144.64(17)
C12 N7 C18 . . 109.21(19)
C12 N7 C10 . . 109.88(19)
C18 N7 C10 . . 109.74(19)
N2 C1 N4 . . 112.5(2)
N2 C1 C5 . . 121.4(2)
N4 C1 C5 . . 126.0(2)
C17 N8 C14 . . 108.9(2)
C17 N8 C5 . . 108.6(2)
C14 N8 C5 . . 110.11(18)
C15 N9 C11 . . 109.38(19)
C15 N9 C13 . . 109.37(19)
C11 N9 C13 . . 110.07(19)
C15 N9 Zn2 . . 116.67(15)
C11 N9 Zn2 . . 104.92(14)
C13 N9 Zn2 . . 106.24(15)
C7 C2 N2 . . 108.4(2)
C7 C2 H1 . . 125.8
N2 C2 H1 . . 125.8
O3 N10 O5 . . 153.6(4)
O3 N10 O4 . . 61.2(5)
O5 N10 O4 . . 123.1(5)
O3 N10 O6 . . 67.3(5)
O5 N10 O6 . . 120.8(5)
O4 N10 O6 . . 115.1(5)
O3 N10 O1 . . 124.1(4)
O5 N10 O1 . . 49.4(3)
O4 N10 O1 . . 73.8(4)
O6 N10 O1 . . 168.6(5)
O3 N10 O2 . . 116.7(4)
O5 N10 O2 . . 72.1(4)
O4 N10 O2 . . 152.8(5)
O6 N10 O2 . . 50.3(4)
O1 N10 O2 . . 118.5(4)
N5 C3 N6 . 6_554 113.9(2)
N5 C3 C11 . 6_554 126.3(2)
N6 C3 C11 6_554 6_554 119.7(2)
C8 C4 N1 6_564 . 108.1(2)
C8 C4 H2 6_564 . 125.9
N1 C4 H2 . . 125.9
N8 C5 C1 . . 110.65(18)
N8 C5 H3 . . 109.5
C1 C5 H3 . . 109.5
N8 C5 H4 . . 109.5
C1 C5 H4 . . 109.5
H3 C5 H4 . . 108.1
C16 C6 N6 5 . 107.9(2)
C16 C6 H5 5 . 126.0
N6 C6 H5 . . 126.0
C2 C7 N4 . . 108.9(2)
C2 C7 H6 . . 125.6
N4 C7 H6 . . 125.6
C4 C8 N3 5_655 . 108.6(2)
C4 C8 H7 5_655 . 125.7
N3 C8 H7 . . 125.7
N3 C9 N1 6_564 . 112.97(19)
N3 C9 C12 6_564 . 124.2(2)
N1 C9 C12 . . 122.8(2)
N7 C10 H8 . . 109.5
N7 C10 H9 . . 109.5
H8 C10 H9 . . 109.5
N7 C10 H10 . . 109.5
H8 C10 H10 . . 109.5
H9 C10 H10 . . 109.5
N9 C11 C3 . 5 110.31(18)
N9 C11 H11 . . 109.6
C3 C11 H11 5 . 109.6
N9 C11 H12 . . 109.6
C3 C11 H12 5 . 109.6
H11 C11 H12 . . 108.1
N7 C12 C9 . . 111.15(18)
N7 C12 H13 . . 109.4
C9 C12 H13 . . 109.4
N7 C12 H14 . . 109.4
C9 C12 H14 . . 109.4
H13 C12 H14 . . 108.0
N9 C13 H15 . . 109.5
N9 C13 H16 . . 109.5
H15 C13 H16 . . 109.5
N9 C13 H17 . . 109.5
H15 C13 H17 . . 109.5
H16 C13 H17 . . 109.5
N8 C14 H18 . . 109.5
N8 C14 H19 . . 109.5
H18 C14 H19 . . 109.5
N8 C14 H20 . . 109.5
H18 C14 H20 . . 109.5
H19 C14 H20 . . 109.5
N9 C15 H21 . . 109.5
N9 C15 H22 . . 109.5
H21 C15 H22 . . 109.5
N9 C15 H23 . . 109.5
H21 C15 H23 . . 109.5
H22 C15 H23 . . 109.5
C6 C16 N5 6_554 . 109.3(2)
C6 C16 H24 6_554 . 125.3
N5 C16 H24 . . 125.3
N8 C17 H25 . . 109.5
N8 C17 H26 . . 109.5
H25 C17 H26 . . 109.5
N8 C17 H27 . . 109.5
H25 C17 H27 . . 109.5
H26 C17 H27 . . 109.5
N7 C18 H28 . . 109.5
N7 C18 H29 . . 109.5
H28 C18 H29 . . 109.5
N7 C18 H30 . . 109.5
H28 C18 H30 . . 109.5
H29 C18 H30 . . 109.5
O5 O1 N10 . . 64.6(3)
O5 O1 O4 . . 117.3(5)
N10 O1 O4 . . 52.8(3)
O5 O1 Zn1 . . 67.8(3)
N10 O1 Zn1 . . 119.3(3)
O4 O1 Zn1 . . 141.3(5)
O6 O2 N10 . . 64.2(4)
O6 O2 O5 . . 116.0(5)
N10 O2 O5 . . 53.3(3)
N10 O3 O4 . . 59.7(3)
N10 O3 O6 . . 56.7(4)
O4 O3 O6 . . 105.5(6)
N10 O4 O3 . . 59.1(4)
N10 O4 O1 . . 53.4(3)
O3 O4 O1 . . 105.2(5)
O1 O5 N10 . . 66.0(3)
O1 O5 O2 . . 117.5(5)
N10 O5 O2 . . 54.6(3)
O1 O5 Zn1 . . 84.3(4)
N10 O5 Zn1 . . 132.0(4)
O2 O5 Zn1 . . 121.4(4)
O2 O6 N10 . . 65.5(4)
O2 O6 O3 . . 120.4(6)
N10 O6 O3 . . 56.0(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 N5 . 1.971(2)
Zn1 N4 . 1.9827(19)
Zn1 N1 . 1.9898(19)
Zn1 O5 . 2.029(4)
Zn1 O1 . 2.182(4)
Zn2 N2 . 1.9611(19)
Zn2 N3 . 1.979(2)
Zn2 N6 . 2.058(2)
Zn2 N9 . 2.1054(19)
N1 C9 . 1.338(3)
N1 C4 . 1.383(3)
N2 C1 . 1.341(3)
N2 C2 . 1.376(3)
N3 C9 5_655 1.336(3)
N3 C8 . 1.376(3)
N4 C1 . 1.342(3)
N4 C7 . 1.379(3)
N5 C3 . 1.333(3)
N5 C16 . 1.379(3)
N6 C3 5 1.337(3)
N6 C6 . 1.381(3)
N7 C12 . 1.451(3)
N7 C18 . 1.463(3)
N7 C10 . 1.470(3)
C1 C5 . 1.489(3)
N8 C17 . 1.466(3)
N8 C14 . 1.466(3)
N8 C5 . 1.468(3)
N9 C15 . 1.479(3)
N9 C11 . 1.484(3)
N9 C13 . 1.489(3)
C2 C7 . 1.351(3)
C2 H1 . 0.9500
N10 O3 . 1.216(4)
N10 O5 . 1.220(5)
N10 O4 . 1.225(5)
N10 O6 . 1.227(6)
N10 O1 . 1.234(4)
N10 O2 . 1.240(5)
C3 N6 6_554 1.337(3)
C3 C11 6_554 1.499(3)
C4 C8 6_564 1.361(4)
C4 H2 . 0.9500
C5 H3 . 0.9900
C5 H4 . 0.9900
C6 C16 5 1.357(3)
C6 H5 . 0.9500
C7 H6 . 0.9500
C8 C4 5_655 1.361(4)
C8 H7 . 0.9500
C9 N3 6_564 1.336(3)
C9 C12 . 1.502(3)
C10 H8 . 0.9800
C10 H9 . 0.9800
C10 H10 . 0.9800
C11 C3 5 1.499(3)
C11 H11 . 0.9900
C11 H12 . 0.9900
C12 H13 . 0.9900
C12 H14 . 0.9900
C13 H15 . 0.9800
C13 H16 . 0.9800
C13 H17 . 0.9800
C14 H18 . 0.9800
C14 H19 . 0.9800
C14 H20 . 0.9800
C15 H21 . 0.9800
C15 H22 . 0.9800
C15 H23 . 0.9800
C16 C6 6_554 1.357(3)
C16 H24 . 0.9500
C17 H25 . 0.9800
C17 H26 . 0.9800
C17 H27 . 0.9800
C18 H28 . 0.9800
C18 H29 . 0.9800
C18 H30 . 0.9800
O1 O5 . 1.026(6)
O1 O4 . 1.476(8)
O2 O6 . 1.049(9)
O2 O5 . 1.448(8)
O3 O4 . 1.243(9)
O3 O6 . 1.354(9)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N5 Zn1 N1 C9 . . 85.68(19)
N4 Zn1 N1 C9 . . -60.98(19)
O5 Zn1 N1 C9 . . -175.8(2)
O1 Zn1 N1 C9 . . -172.0(2)
N5 Zn1 N1 C4 . . -100.4(2)
N4 Zn1 N1 C4 . . 113.0(2)
O5 Zn1 N1 C4 . . -1.8(3)
O1 Zn1 N1 C4 . . 1.9(2)
N3 Zn2 N2 C1 . . -47.6(2)
N6 Zn2 N2 C1 . . -164.67(18)
N9 Zn2 N2 C1 . . 106.03(18)
N3 Zn2 N2 C2 . . 132.1(2)
N6 Zn2 N2 C2 . . 15.0(2)
N9 Zn2 N2 C2 . . -74.3(2)
N2 Zn2 N3 C9 . 5_655 -56.5(2)
N6 Zn2 N3 C9 . 5_655 60.37(18)
N9 Zn2 N3 C9 . 5_655 148.78(16)
N2 Zn2 N3 C8 . . 126.6(2)
N6 Zn2 N3 C8 . . -116.5(2)
N9 Zn2 N3 C8 . . -28.1(2)
N5 Zn1 N4 C1 . . 168.46(17)
N1 Zn1 N4 C1 . . -44.8(2)
O5 Zn1 N4 C1 . . 74.0(2)
O1 Zn1 N4 C1 . . 45.7(2)
N5 Zn1 N4 C7 . . -19.6(2)
N1 Zn1 N4 C7 . . 127.07(19)
O5 Zn1 N4 C7 . . -114.1(2)
O1 Zn1 N4 C7 . . -142.4(2)
N4 Zn1 N5 C3 . . -175.44(18)
N1 Zn1 N5 C3 . . 41.3(2)
O5 Zn1 N5 C3 . . -70.8(3)
O1 Zn1 N5 C3 . . -48.9(2)
N4 Zn1 N5 C16 . . 12.3(2)
N1 Zn1 N5 C16 . . -130.93(19)
O5 Zn1 N5 C16 . . 116.9(3)
O1 Zn1 N5 C16 . . 138.8(2)
N2 Zn2 N6 C3 . 5 -133.67(16)
N3 Zn2 N6 C3 . 5 98.02(16)
N9 Zn2 N6 C3 . 5 -15.66(15)
N2 Zn2 N6 C6 . . 48.5(3)
N3 Zn2 N6 C6 . . -79.8(3)
N9 Zn2 N6 C6 . . 166.5(3)
C2 N2 C1 N4 . . -0.1(3)
Zn2 N2 C1 N4 . . 179.66(15)
C2 N2 C1 C5 . . -177.7(2)
Zn2 N2 C1 C5 . . 2.1(3)
C7 N4 C1 N2 . . 0.0(3)
Zn1 N4 C1 N2 . . 173.36(15)
C7 N4 C1 C5 . . 177.4(2)
Zn1 N4 C1 C5 . . -9.2(3)
N2 Zn2 N9 C15 . . -108.29(17)
N3 Zn2 N9 C15 . . 47.08(19)
N6 Zn2 N9 C15 . . 149.58(18)
N2 Zn2 N9 C11 . . 130.50(14)
N3 Zn2 N9 C11 . . -74.13(16)
N6 Zn2 N9 C11 . . 28.38(14)
N2 Zn2 N9 C13 . . 13.91(17)
N3 Zn2 N9 C13 . . 169.28(14)
N6 Zn2 N9 C13 . . -88.21(15)
C1 N2 C2 C7 . . 0.2(3)
Zn2 N2 C2 C7 . . -179.52(17)
C16 N5 C3 N6 . 6_554 -0.6(3)
Zn1 N5 C3 N6 . 6_554 -174.38(15)
C16 N5 C3 C11 . 6_554 -177.3(2)
Zn1 N5 C3 C11 . 6_554 8.8(3)
C9 N1 C4 C8 . 6_564 -0.3(3)
Zn1 N1 C4 C8 . 6_564 -175.00(17)
C17 N8 C5 C1 . . 169.44(19)
C14 N8 C5 C1 . . -71.4(2)
N2 C1 C5 N8 . . -46.1(3)
N4 C1 C5 N8 . . 136.6(2)
C3 N6 C6 C16 5 5 0.3(3)
Zn2 N6 C6 C16 . 5 178.2(2)
N2 C2 C7 N4 . . -0.3(3)
C1 N4 C7 C2 . . 0.2(3)
Zn1 N4 C7 C2 . . -173.11(16)
C9 N3 C8 C4 5_655 5_655 0.6(3)
Zn2 N3 C8 C4 . 5_655 177.79(17)
C4 N1 C9 N3 . 6_564 0.7(3)
Zn1 N1 C9 N3 . 6_564 176.01(14)
C4 N1 C9 C12 . . -177.1(2)
Zn1 N1 C9 C12 . . -1.7(3)
C15 N9 C11 C3 . 5 -161.6(2)
C13 N9 C11 C3 . 5 78.2(2)
Zn2 N9 C11 C3 . 5 -35.8(2)
C18 N7 C12 C9 . . 169.90(19)
C10 N7 C12 C9 . . -69.7(2)
N3 C9 C12 N7 6_564 . 145.6(2)
N1 C9 C12 N7 . . -36.9(3)
C3 N5 C16 C6 . 6_554 0.7(3)
Zn1 N5 C16 C6 . 6_554 174.34(17)
O3 N10 O1 O5 . . 147.6(5)
O4 N10 O1 O5 . . -175.8(6)
O6 N10 O1 O5 . . -34(2)
O2 N10 O1 O5 . . -22.2(6)
O3 N10 O1 O4 . . -36.6(6)
O5 N10 O1 O4 . . 175.8(6)
O6 N10 O1 O4 . . 142(2)
O2 N10 O1 O4 . . 153.6(6)
O3 N10 O1 Zn1 . . -170.8(3)
O5 N10 O1 Zn1 . . 41.6(4)
O4 N10 O1 Zn1 . . -134.2(5)
O6 N10 O1 Zn1 . . 8(2)
O2 N10 O1 Zn1 . . 19.4(6)
N5 Zn1 O1 O5 . . -52.8(4)
N4 Zn1 O1 O5 . . 78.7(4)
N1 Zn1 O1 O5 . . -172.5(4)
N5 Zn1 O1 N10 . . -93.2(3)
N4 Zn1 O1 N10 . . 38.4(4)
N1 Zn1 O1 N10 . . 147.1(4)
O5 Zn1 O1 N10 . . -40.4(4)
N5 Zn1 O1 O4 . . -159.2(5)
N4 Zn1 O1 O4 . . -27.6(6)
N1 Zn1 O1 O4 . . 81.1(5)
O5 Zn1 O1 O4 . . -106.4(7)
O3 N10 O2 O6 . . 12.4(7)
O5 N10 O2 O6 . . 165.4(7)
O4 N10 O2 O6 . . -65.9(12)
O1 N10 O2 O6 . . -177.1(6)
O3 N10 O2 O5 . . -153.0(4)
O4 N10 O2 O5 . . 128.7(11)
O6 N10 O2 O5 . . -165.4(7)
O1 N10 O2 O5 . . 17.6(4)
O5 N10 O3 O4 . . 107.0(11)
O6 N10 O3 O4 . . -138.9(6)
O1 N10 O3 O4 . . 40.8(6)
O2 N10 O3 O4 . . -149.2(6)
O5 N10 O3 O6 . . -114.0(11)
O4 N10 O3 O6 . . 138.9(6)
O1 N10 O3 O6 . . 179.7(5)
O2 N10 O3 O6 . . -10.3(6)
O5 N10 O4 O3 . . -149.5(5)
O6 N10 O4 O3 . . 42.0(7)
O1 N10 O4 O3 . . -145.7(5)
O2 N10 O4 O3 . . 92.9(11)
O3 N10 O4 O1 . . 145.7(5)
O5 N10 O4 O1 . . -3.8(6)
O6 N10 O4 O1 . . -172.3(6)
O2 N10 O4 O1 . . -121.4(10)
O6 O3 O4 N10 . . -34.8(4)
N10 O3 O4 O1 . . -28.0(4)
O6 O3 O4 O1 . . -62.7(7)
O5 O1 O4 N10 . . 4.2(6)
Zn1 O1 O4 N10 . . 92.1(6)
O5 O1 O4 O3 . . 34.3(9)
N10 O1 O4 O3 . . 30.1(4)
Zn1 O1 O4 O3 . . 122.2(6)
O4 O1 O5 N10 . . -3.7(6)
Zn1 O1 O5 N10 . . -141.3(3)
N10 O1 O5 O2 . . 18.7(4)
O4 O1 O5 O2 . . 15.0(8)
Zn1 O1 O5 O2 . . -122.6(5)
N10 O1 O5 Zn1 . . 141.3(3)
O4 O1 O5 Zn1 . . 137.5(5)
O3 N10 O5 O1 . . -86.3(10)
O4 N10 O5 O1 . . 4.8(7)
O6 N10 O5 O1 . . 172.7(6)
O2 N10 O5 O1 . . 159.6(5)
O3 N10 O5 O2 . . 114.2(10)
O4 N10 O5 O2 . . -154.8(7)
O6 N10 O5 O2 . . 13.1(6)
O1 N10 O5 O2 . . -159.6(5)
O3 N10 O5 Zn1 . . -143.2(8)
O4 N10 O5 Zn1 . . -52.1(9)
O6 N10 O5 Zn1 . . 115.8(7)
O1 N10 O5 Zn1 . . -56.9(5)
O2 N10 O5 Zn1 . . 102.7(6)
O6 O2 O5 O1 . . -35.7(10)
N10 O2 O5 O1 . . -21.1(5)
O6 O2 O5 N10 . . -14.7(7)
O6 O2 O5 Zn1 . . -136.5(7)
N10 O2 O5 Zn1 . . -121.9(4)
N5 Zn1 O5 O1 . . 129.3(4)
N4 Zn1 O5 O1 . . -110.3(4)
N1 Zn1 O5 O1 . . 7.9(5)
N5 Zn1 O5 N10 . . 179.5(6)
N4 Zn1 O5 N10 . . -60.0(6)
N1 Zn1 O5 N10 . . 58.2(7)
O1 Zn1 O5 N10 . . 50.3(5)
N5 Zn1 O5 O2 . . -111.8(5)
N4 Zn1 O5 O2 . . 8.7(5)
N1 Zn1 O5 O2 . . 126.9(4)
O1 Zn1 O5 O2 . . 118.9(6)
O5 O2 O6 N10 . . 13.0(6)
N10 O2 O6 O3 . . -11.5(6)
O5 O2 O6 O3 . . 1.5(12)
O3 N10 O6 O2 . . -168.0(7)
O5 N10 O6 O2 . . -16.3(8)
O4 N10 O6 O2 . . 152.5(7)
O1 N10 O6 O2 . . 13(2)
O5 N10 O6 O3 . . 151.7(5)
O4 N10 O6 O3 . . -39.5(6)
O1 N10 O6 O3 . . -18E1(7)
O2 N10 O6 O3 . . 168.0(7)
N10 O3 O6 O2 . . 12.7(7)
O4 O3 O6 O2 . . 48.8(10)
O4 O3 O6 N10 . . 36.1(5)

_cod_database_fobs_code 1544313
