#------------------------------------------------------------------------------
#$Date: 2019-11-28 22:18:41 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244783 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/95/7239589.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_7239589
loop_
_publ_author_name
'Li, Fang-Fang'
'Zhang, Qin-Qin'
'Zhao, Yan-Yan'
'Jiang, Shu-Xin'
'Shi, Xue-Ying'
'Cui, Jian-Zhong'
'Gao, Hong-ling'
_publ_section_title
;
 Syntheses, structures, and properties of six new coordination polymers
 constructed from N-heterocyclic multicarboxylic acids
;
_journal_issue                   21
_journal_name_full               'RSC Advances'
_journal_page_first              10424
_journal_paper_doi               10.1039/c4ra00180j
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C16 H21 N3 O8.5 Zn'
_chemical_formula_weight         456.73
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                66.67(3)
_cell_angle_beta                 78.17(3)
_cell_angle_gamma                71.78(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4083(15)
_cell_length_b                   10.890(2)
_cell_length_c                   13.632(3)
_cell_measurement_reflns_used    3178
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8485
_cell_measurement_theta_min      2.1077
_cell_volume                     955.1(4)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_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      113(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9423
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  0.8559
_exptl_absorpt_correction_T_min  0.7756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4441
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0370
_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)+(0.0622P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1151
_reflns_number_gt                3168
_reflns_number_total             4441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra00180j.txt
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        955.1(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C16 H21 N3 O8.50 Zn'
_cod_database_code               7239589
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Zn1 Zn 1.0000 0.5000 0.0000 0.00757(12) Uani 1 2 d S . .
Zn2 Zn 0.5000 1.0000 0.0000 0.00737(12) Uani 1 2 d S . .
O1 O 0.8596(3) 0.18140(19) 0.02686(16) 0.0164(4) Uani 1 1 d . . .
O2 O 0.7360(3) 0.1764(2) 0.19354(15) 0.0193(4) Uani 1 1 d . . .
O3 O 0.8351(3) 0.70163(18) -0.04172(14) 0.0118(4) Uani 1 1 d . . .
O4 O 0.5402(3) 0.84233(17) -0.06264(14) 0.0101(4) Uani 1 1 d . . .
O5 O 0.7862(3) 0.9770(3) -0.0066(3) 0.0439(8) Uani 1 1 d D . .
H5A H 0.867(4) 0.906(2) -0.012(3) 0.053 Uiso 1 1 d D . .
H5B H 0.817(5) 1.031(3) 0.014(3) 0.053 Uiso 1 1 d D . .
N1 N 0.6891(3) 0.4792(2) 0.01587(16) 0.0076(4) Uani 1 1 d . . .
N2 N 0.9756(3) 0.4866(2) 0.16161(17) 0.0136(5) Uani 1 1 d . . .
N3 N 0.5009(4) 0.8536(2) 0.16128(18) 0.0203(6) Uani 1 1 d . . .
C1 C 0.7467(4) 0.2282(3) 0.0939(2) 0.0134(5) Uani 1 1 d . . .
C2 C 0.6139(4) 0.3709(3) 0.04385(19) 0.0083(5) Uani 1 1 d . . .
C3 C 0.5764(4) 0.6071(3) -0.02663(19) 0.0079(5) Uani 1 1 d . . .
C4 C 0.6593(4) 0.7276(3) -0.04713(19) 0.0082(5) Uani 1 1 d . . .
C5 C 0.9636(5) 0.3706(3) 0.2448(2) 0.0212(7) Uani 1 1 d . . .
H5 H 0.9541 0.2938 0.2313 0.025 Uiso 1 1 calc R . .
C6 C 0.9643(5) 0.3578(4) 0.3502(2) 0.0289(8) Uani 1 1 d . . .
H6 H 0.9526 0.2739 0.4070 0.035 Uiso 1 1 calc R . .
C7 C 0.9821(5) 0.4674(4) 0.3733(2) 0.0265(8) Uani 1 1 d . . .
C8 C 0.9908(5) 0.5907(3) 0.2851(2) 0.0231(7) Uani 1 1 d . . .
H8 H 0.9995 0.6696 0.2959 0.028 Uiso 1 1 calc R . .
C9 C 0.9866(4) 0.5949(3) 0.1830(2) 0.0169(6) Uani 1 1 d . . .
H9 H 0.9918 0.6787 0.1245 0.020 Uiso 1 1 calc R . .
C10 C 0.9894(6) 0.4526(4) 0.4840(2) 0.0348(9) Uani 1 1 d . . .
H10 H 0.9778 0.3669 0.5383 0.042 Uiso 1 1 calc R . .
C11 C 0.4409(5) 0.7384(3) 0.1892(2) 0.0252(7) Uani 1 1 d . . .
H11 H 0.3957 0.7236 0.1355 0.030 Uiso 1 1 calc R . .
C12 C 0.4416(5) 0.6404(3) 0.2921(2) 0.0292(8) Uani 1 1 d . . .
H12 H 0.4012 0.5595 0.3075 0.035 Uiso 1 1 calc R . .
C13 C 0.5026(5) 0.6620(3) 0.3732(2) 0.0266(7) Uani 1 1 d . . .
C14 C 0.5600(5) 0.7837(3) 0.3442(2) 0.0270(8) Uani 1 1 d . . .
H14 H 0.5990 0.8040 0.3971 0.032 Uiso 1 1 calc R . .
C15 C 0.5600(5) 0.8747(3) 0.2387(2) 0.0231(7) Uani 1 1 d . . .
H15 H 0.6035 0.9550 0.2204 0.028 Uiso 1 1 calc R . .
C16 C 0.5072(6) 0.5656(3) 0.4839(2) 0.0312(8) Uani 1 1 d . . .
H16 H 0.5214 0.5971 0.5370 0.037 Uiso 1 1 calc R . .
O6 O 0.2063(8) -0.0069(6) 0.4455(4) 0.0406(12) Uani 0.50 1 d PU A 1
O7 O -0.0397(8) -0.0684(5) 0.3433(4) 0.0406(13) Uani 0.50 1 d PU B 1
O8 O 0.3224(8) 0.0323(6) 0.4904(4) 0.0481(14) Uani 0.50 1 d PU C 2
O9 O 0.1059(8) -0.0902(6) 0.4357(4) 0.0431(13) Uani 0.50 1 d PU D 2
O10 O 0.0232(7) -0.0783(5) 0.2474(3) 0.0301(10) Uani 0.50 1 d PU E 2
O11 O 0.4399(9) 0.1872(7) 0.3741(5) 0.0533(15) Uani 0.50 1 d PU F 3
O11' O 0.5577(9) 0.2070(6) 0.3888(4) 0.0427(13) Uani 0.50 1 d PU G 4
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
O3 Zn1 O3 180.000(1) . 2_765
O3 Zn1 N2 89.95(9) . 2_765
O3 Zn1 N2 90.05(9) 2_765 2_765
O3 Zn1 N2 90.05(9) . .
O3 Zn1 N2 89.95(9) 2_765 .
N2 Zn1 N2 180.0 2_765 .
O3 Zn1 N1 103.80(7) . 2_765
O3 Zn1 N1 76.20(7) 2_765 2_765
N2 Zn1 N1 92.47(8) 2_765 2_765
N2 Zn1 N1 87.53(8) . 2_765
O3 Zn1 N1 76.20(7) . .
O3 Zn1 N1 103.80(7) 2_765 .
N2 Zn1 N1 87.53(8) 2_765 .
N2 Zn1 N1 92.47(8) . .
N1 Zn1 N1 180.0 2_765 .
O5 Zn2 O5 180.0 2_675 .
O5 Zn2 O4 86.64(8) 2_675 .
O5 Zn2 O4 93.36(8) . .
O5 Zn2 O4 93.36(8) 2_675 2_675
O5 Zn2 O4 86.64(8) . 2_675
O4 Zn2 O4 180.0 . 2_675
O5 Zn2 N3 89.38(13) 2_675 .
O5 Zn2 N3 90.63(13) . .
O4 Zn2 N3 91.42(8) . .
O4 Zn2 N3 88.58(8) 2_675 .
O5 Zn2 N3 90.63(13) 2_675 2_675
O5 Zn2 N3 89.37(13) . 2_675
O4 Zn2 N3 88.58(8) . 2_675
O4 Zn2 N3 91.42(8) 2_675 2_675
N3 Zn2 N3 180.0 . 2_675
C4 O3 Zn1 119.99(15) . .
C4 O4 Zn2 132.01(16) . .
Zn2 O5 H5A 122(2) . .
Zn2 O5 H5B 116(2) . .
H5A O5 H5B 120(2) . .
C3 N1 C2 118.1(2) . .
C3 N1 Zn1 107.51(15) . .
C2 N1 Zn1 133.72(17) . .
C5 N2 C9 117.5(2) . .
C5 N2 Zn1 122.53(18) . .
C9 N2 Zn1 119.74(18) . .
C15 N3 C11 117.5(2) . .
C15 N3 Zn2 120.73(19) . .
C11 N3 Zn2 121.7(2) . .
O2 C1 O1 128.7(3) . .
O2 C1 C2 117.1(2) . .
O1 C1 C2 114.1(2) . .
N1 C2 C3 120.2(2) . 2_665
N1 C2 C1 115.9(2) . .
C3 C2 C1 123.9(2) 2_665 .
N1 C3 C2 121.7(2) . 2_665
N1 C3 C4 116.7(2) . .
C2 C3 C4 121.4(2) 2_665 .
O4 C4 O3 126.8(2) . .
O4 C4 C3 115.2(2) . .
O3 C4 C3 117.9(2) . .
N2 C5 C6 122.7(3) . .
N2 C5 H5 118.7 . .
C6 C5 H5 118.7 . .
C5 C6 C7 120.4(3) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C6 C7 C8 116.6(3) . .
C6 C7 C10 120.6(3) . .
C8 C7 C10 122.8(3) . .
C9 C8 C7 119.1(3) . .
C9 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
N2 C9 C8 123.7(3) . .
N2 C9 H9 118.2 . .
C8 C9 H9 118.2 . .
C10 C10 C7 126.3(4) 2_766 .
C10 C10 H10 116.8 2_766 .
C7 C10 H10 116.8 . .
N3 C11 C12 123.5(3) . .
N3 C11 H11 118.3 . .
C12 C11 H11 118.3 . .
C11 C12 C13 119.2(3) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C12 C13 C14 117.0(3) . .
C12 C13 C16 123.3(3) . .
C14 C13 C16 119.8(3) . .
C15 C14 C13 120.2(3) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
N3 C15 C14 122.6(3) . .
N3 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C16 C16 C13 124.4(4) 2_666 .
C16 C16 H16 117.8 2_666 .
C13 C16 H16 117.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 2.0629(19) .
Zn1 O3 2.0629(19) 2_765
Zn1 N2 2.123(2) 2_765
Zn1 N2 2.123(2) .
Zn1 N1 2.342(2) 2_765
Zn1 N1 2.342(2) .
Zn2 O5 2.043(2) 2_675
Zn2 O5 2.043(2) .
Zn2 O4 2.1220(17) .
Zn2 O4 2.1220(17) 2_675
Zn2 N3 2.144(2) .
Zn2 N3 2.144(2) 2_675
O1 C1 1.258(3) .
O2 C1 1.244(3) .
O3 C4 1.255(3) .
O4 C4 1.250(3) .
O5 H5A 0.838(10) .
O5 H5B 0.836(10) .
N1 C3 1.343(3) .
N1 C2 1.348(3) .
N2 C5 1.336(4) .
N2 C9 1.351(3) .
N3 C15 1.342(4) .
N3 C11 1.348(3) .
C1 C2 1.526(4) .
C2 C3 1.407(4) 2_665
C3 C2 1.407(4) 2_665
C3 C4 1.523(3) .
C5 C6 1.388(4) .
C5 H5 0.9500 .
C6 C7 1.398(4) .
C6 H6 0.9500 .
C7 C8 1.413(4) .
C7 C10 1.464(4) .
C8 C9 1.381(4) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C10 1.330(6) 2_766
C10 H10 0.9500 .
C11 C12 1.386(4) .
C11 H11 0.9500 .
C12 C13 1.399(5) .
C12 H12 0.9500 .
C13 C14 1.401(4) .
C13 C16 1.457(4) .
C14 C15 1.387(4) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C16 1.350(6) 2_666
C16 H16 0.9500 .
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
O5 H5A O1 0.838(10) 1.96(2) 2.681(3) 144(3) 2_765
O5 H5A O3 0.838(10) 2.50(3) 3.121(3) 132(3) .
O5 H5B O1 0.836(10) 1.850(13) 2.669(3) 166(4) 1_565
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
O3 Zn1 O3 C4 -136(56) 2_765 .
N2 Zn1 O3 C4 83.56(19) 2_765 .
N2 Zn1 O3 C4 -96.44(19) . .
N1 Zn1 O3 C4 176.09(17) 2_765 .
N1 Zn1 O3 C4 -3.91(17) . .
O5 Zn2 O4 C4 -140.7(2) 2_675 .
O5 Zn2 O4 C4 39.3(2) . .
O4 Zn2 O4 C4 -36(19) 2_675 .
N3 Zn2 O4 C4 -51.4(2) . .
N3 Zn2 O4 C4 128.6(2) 2_675 .
O3 Zn1 N1 C3 9.88(15) . .
O3 Zn1 N1 C3 -170.12(15) 2_765 .
N2 Zn1 N1 C3 -80.68(16) 2_765 .
N2 Zn1 N1 C3 99.32(16) . .
N1 Zn1 N1 C3 -84(3) 2_765 .
O3 Zn1 N1 C2 179.8(2) . .
O3 Zn1 N1 C2 -0.2(2) 2_765 .
N2 Zn1 N1 C2 89.3(2) 2_765 .
N2 Zn1 N1 C2 -90.7(2) . .
N1 Zn1 N1 C2 85(3) 2_765 .
O3 Zn1 N2 C5 144.5(2) . .
O3 Zn1 N2 C5 -35.5(2) 2_765 .
N2 Zn1 N2 C5 55(100) 2_765 .
N1 Zn1 N2 C5 -111.7(2) 2_765 .
N1 Zn1 N2 C5 68.3(2) . .
O3 Zn1 N2 C9 -40.6(2) . .
O3 Zn1 N2 C9 139.4(2) 2_765 .
N2 Zn1 N2 C9 -131(88) 2_765 .
N1 Zn1 N2 C9 63.2(2) 2_765 .
N1 Zn1 N2 C9 -116.8(2) . .
O5 Zn2 N3 C15 -122.0(3) 2_675 .
O5 Zn2 N3 C15 58.0(3) . .
O4 Zn2 N3 C15 151.4(2) . .
O4 Zn2 N3 C15 -28.6(2) 2_675 .
N3 Zn2 N3 C15 11(64) 2_675 .
O5 Zn2 N3 C11 57.4(3) 2_675 .
O5 Zn2 N3 C11 -122.6(3) . .
O4 Zn2 N3 C11 -29.3(3) . .
O4 Zn2 N3 C11 150.7(3) 2_675 .
N3 Zn2 N3 C11 -169(64) 2_675 .
C3 N1 C2 C3 1.1(4) . 2_665
Zn1 N1 C2 C3 -167.98(16) . 2_665
C3 N1 C2 C1 -178.8(2) . .
Zn1 N1 C2 C1 12.1(3) . .
O2 C1 C2 N1 96.0(3) . .
O1 C1 C2 N1 -81.0(3) . .
O2 C1 C2 C3 -83.9(3) . 2_665
O1 C1 C2 C3 99.1(3) . 2_665
C2 N1 C3 C2 -1.1(4) . 2_665
Zn1 N1 C3 C2 170.62(18) . 2_665
C2 N1 C3 C4 174.1(2) . .
Zn1 N1 C3 C4 -14.1(2) . .
Zn2 O4 C4 O3 -42.8(4) . .
Zn2 O4 C4 C3 133.51(18) . .
Zn1 O3 C4 O4 173.72(19) . .
Zn1 O3 C4 C3 -2.5(3) . .
N1 C3 C4 O4 -164.1(2) . .
C2 C3 C4 O4 11.2(3) 2_665 .
N1 C3 C4 O3 12.5(3) . .
C2 C3 C4 O3 -172.2(2) 2_665 .
C9 N2 C5 C6 -0.8(5) . .
Zn1 N2 C5 C6 174.3(3) . .
N2 C5 C6 C7 -1.4(5) . .
C5 C6 C7 C8 2.6(5) . .
C5 C6 C7 C10 -177.9(3) . .
C6 C7 C8 C9 -1.7(5) . .
C10 C7 C8 C9 178.8(3) . .
C5 N2 C9 C8 1.7(4) . .
Zn1 N2 C9 C8 -173.5(2) . .
C7 C8 C9 N2 -0.4(5) . .
C6 C7 C10 C10 178.3(5) . 2_766
C8 C7 C10 C10 -2.3(8) . 2_766
C15 N3 C11 C12 -1.6(5) . .
Zn2 N3 C11 C12 179.1(3) . .
N3 C11 C12 C13 1.8(5) . .
C11 C12 C13 C14 0.0(5) . .
C11 C12 C13 C16 179.6(3) . .
C12 C13 C14 C15 -1.8(5) . .
C16 C13 C14 C15 178.6(3) . .
C11 N3 C15 C14 -0.4(5) . .
Zn2 N3 C15 C14 179.0(3) . .
C13 C14 C15 N3 2.1(5) . .
C12 C13 C16 C16 14.4(7) . 2_666
C14 C13 C16 C16 -166.0(5) . 2_666
