#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:05:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179612 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/76/4507630.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_4507630
loop_
_publ_author_name
'He, Xiang'
'Lu, Xiao-Peng'
'Li, Ming-Xing'
'Morris, Russell E.'
_publ_section_title
;
 Tuning Different Kinds of Entangled Networks Formed by Isomers of
 Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate
 Ligand
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1649
_journal_paper_doi               10.1021/cg3018562
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C48 H46 N12 O14 Zn2'
_chemical_formula_weight         1145.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                110.2610(10)
_cell_angle_beta                 99.4840(10)
_cell_angle_gamma                103.1820(10)
_cell_formula_units_Z            1
_cell_length_a                   9.6478(10)
_cell_length_b                   12.1746(13)
_cell_length_c                   12.1908(13)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.45
_cell_volume                     1260.5(2)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6619
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  0.9697
_exptl_absorpt_correction_T_min  0.9130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             590
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.765
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4373
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0537
_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)+(0.1155P)²+1.3293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1560
_refine_ls_wR_factor_ref         0.1645
_reflns_number_gt                3811
_reflns_number_total             4373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3018562_si_002.cif
_cod_data_source_block           d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_H-M      P-1
_cod_database_code               4507630
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
C1 C 0.6092(4) 0.2575(4) 0.7972(4) 0.0319(9) Uani 1 1 d .
C2 C 0.7552(4) 0.3459(3) 0.8112(4) 0.0267(8) Uani 1 1 d .
C3 C 0.7705(4) 0.4694(4) 0.8427(4) 0.0294(9) Uani 1 1 d .
H3 H 0.6883 0.4969 0.8463 0.035 Uiso 1 1 calc R
C4 C 0.9102(5) 0.5532(4) 0.8692(4) 0.0315(9) Uani 1 1 d .
C5 C 1.0332(4) 0.5127(4) 0.8646(4) 0.0288(8) Uani 1 1 d .
H5 H 1.1264 0.5687 0.8846 0.035 Uiso 1 1 calc R
C6 C 1.0163(4) 0.3887(3) 0.8300(3) 0.0261(8) Uani 1 1 d .
C8 C 1.1501(4) 0.3465(4) 0.8276(4) 0.0276(8) Uani 1 1 d .
C7 C 0.8777(4) 0.3048(3) 0.8029(4) 0.0272(8) Uani 1 1 d .
H7 H 0.8671 0.2214 0.7792 0.033 Uiso 1 1 calc R
C9 C 1.0517(5) 0.7624(4) 0.9289(5) 0.0411(11) Uani 1 1 d .
H9A H 1.0905 0.7453 0.8583 0.049 Uiso 1 1 calc R
H9B H 1.1221 0.7610 0.9947 0.049 Uiso 1 1 calc R
C10 C 1.0257(5) 0.8867(4) 0.9652(4) 0.0399(11) Uani 1 1 d .
C11 C 0.9756(7) 0.9270(4) 0.8804(5) 0.0506(13) Uani 1 1 d .
H11 H 0.9593 0.8785 0.7987 0.061 Uiso 1 1 calc R
C12 C 1.0517(7) 0.9609(4) 1.0865(5) 0.0525(13) Uani 1 1 d .
H12 H 1.0877 0.9354 1.1460 0.063 Uiso 1 1 calc R
N2 N 0.4376(5) 0.2132(4) 1.1693(4) 0.0549(12) Uani 1 1 d .
C14 C 0.4948(5) 0.3414(4) 1.0825(4) 0.0320(9) Uani 1 1 d .
H14 H 0.5399 0.4117 1.0719 0.038 Uiso 1 1 calc R
C15 C 0.6296(5) 0.4094(5) 1.3015(4) 0.0453(11) Uani 1 1 d D
H15B H 0.6790 0.4805 1.2894 0.054 Uiso 1 1 d RD
H15A H 0.7049 0.3751 1.3232 0.054 Uiso 1 1 d RD
C16 C 0.5600(5) 0.4556(4) 1.4023(4) 0.0381(10) Uani 1 1 d .
C17 C 0.5270(6) 0.5647(5) 1.4287(4) 0.0466(12) Uani 1 1 d .
H17 H 0.5442 0.6089 1.3809 0.056 Uiso 1 1 calc R
C18 C 0.5317(6) 0.3905(4) 1.4743(4) 0.0464(11) Uani 1 1 d .
H18 H 0.5522 0.3163 1.4574 0.056 Uiso 1 1 calc R
N5 N 0.2445(5) -0.1740(4) 0.6577(4) 0.0603(13) Uani 1 1 d .
C20 C 0.1272(5) -0.0417(4) 0.6485(4) 0.0363(10) Uani 1 1 d .
H20 H 0.0544 -0.0095 0.6252 0.044 Uiso 1 1 calc R
C21 C 0.0048(7) -0.2616(5) 0.5015(5) 0.0662(18) Uani 1 1 d .
H21A H 0.0218 -0.2596 0.4259 0.079 Uiso 1 1 calc R
H21B H -0.0912 -0.2509 0.5050 0.079 Uiso 1 1 calc R
C22 C 0.0030(5) -0.3847(4) 0.5021(4) 0.0431(11) Uani 1 1 d .
C23 C 0.0813(5) -0.4512(4) 0.4363(4) 0.0464(12) Uani 1 1 d .
H23 H 0.1366 -0.4185 0.3929 0.056 Uiso 1 1 calc R
C24 C -0.0785(6) -0.4337(5) 0.5658(4) 0.0480(12) Uani 1 1 d .
H24 H -0.1318 -0.3896 0.6105 0.058 Uiso 1 1 calc R
N1 N 0.3946(4) 0.2427(3) 0.9977(3) 0.0322(8) Uani 1 1 d .
C13 C 0.3620(6) 0.1677(4) 1.0558(4) 0.0486(12) Uani 1 1 d .
H13A H 0.2918 0.0902 1.0183 0.058 Uiso 1 1 calc R
N3 N 0.5217(4) 0.3258(3) 1.1844(3) 0.0348(8) Uani 1 1 d .
N4 N 0.2541(4) 0.0234(3) 0.7317(3) 0.0321(8) Uani 1 1 d .
C19 C 0.3220(6) -0.0608(4) 0.7344(5) 0.0498(13) Uani 1 1 d .
H19A H 0.4150 -0.0412 0.7855 0.060 Uiso 1 1 calc R
N6 N 0.1192(4) -0.1586(3) 0.6037(3) 0.0392(9) Uani 1 1 d .
O1 O 0.4968(3) 0.2927(3) 0.7806(3) 0.0384(7) Uani 1 1 d .
O2 O 0.6070(4) 0.1604(3) 0.8072(4) 0.0575(10) Uani 1 1 d .
O3 O 1.1305(3) 0.2312(3) 0.7769(3) 0.0355(7) Uani 1 1 d .
O4 O 1.2746(3) 0.4217(3) 0.8775(3) 0.0491(9) Uani 1 1 d .
O5 O 0.9129(3) 0.6736(3) 0.9019(3) 0.0447(8) Uani 1 1 d .
O7 O 0.3446(13) 0.0673(10) 0.3111(9) 0.207(4) Uani 1 1 d .
O6 O 0.2565(16) 0.0765(11) 0.4650(11) 0.279(8) Uani 1 1 d .
Zn1 Zn 0.32604(4) 0.21051(4) 0.82013(4) 0.02602(19) 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
O2 C1 O1 124.5(4) . .
O2 C1 C2 119.2(4) . .
O1 C1 C2 116.2(3) . .
C3 C2 C7 119.9(3) . .
C3 C2 C1 120.2(3) . .
C7 C2 C1 119.7(3) . .
C2 C3 C4 119.9(4) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
O5 C4 C5 124.9(4) . .
O5 C4 C3 114.9(3) . .
C5 C4 C3 120.2(4) . .
C6 C5 C4 119.5(4) . .
C6 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C5 C6 C7 120.6(3) . .
C5 C6 C8 119.0(3) . .
C7 C6 C8 120.4(3) . .
O4 C8 O3 121.9(4) . .
O4 C8 C6 120.2(4) . .
O3 C8 C6 117.9(3) . .
C6 C7 C2 119.9(3) . .
C6 C7 H7 120.1 . .
C2 C7 H7 120.1 . .
O5 C9 C10 106.9(4) . .
O5 C9 H9A 110.4 . .
C10 C9 H9A 110.4 . .
O5 C9 H9B 110.4 . .
C10 C9 H9B 110.4 . .
H9A C9 H9B 108.6 . .
C11 C10 C12 118.8(4) . .
C11 C10 C9 121.1(4) . .
C12 C10 C9 120.1(4) . .
C10 C11 C12 121.1(5) . 2_777
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 2_777 .
C11 C12 C10 120.2(5) 2_777 .
C11 C12 H12 119.9 2_777 .
C10 C12 H12 119.9 . .
C13 N2 N3 102.4(4) . .
N1 C14 N3 109.9(4) . .
N1 C14 H14 125.1 . .
N3 C14 H14 125.1 . .
N3 C15 C16 113.6(4) . .
N3 C15 H15B 105.9 . .
C16 C15 H15B 105.9 . .
N3 C15 H15A 112.2 . .
C16 C15 H15A 112.3 . .
H15B C15 H15A 106.1 . .
C17 C16 C18 118.4(4) . .
C17 C16 C15 121.3(4) . .
C18 C16 C15 120.3(4) . .
C16 C17 C18 120.9(4) . 2_668
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 2_668 .
C17 C18 C16 120.7(4) 2_668 .
C17 C18 H18 119.6 2_668 .
C16 C18 H18 119.6 . .
C19 N5 N6 102.7(4) . .
N6 C20 N4 109.9(4) . .
N6 C20 H20 125.0 . .
N4 C20 H20 125.0 . .
N6 C21 C22 113.0(4) . .
N6 C21 H21A 109.0 . .
C22 C21 H21A 109.0 . .
N6 C21 H21B 109.0 . .
C22 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C24 C22 C23 119.2(5) . .
C24 C22 C21 120.8(5) . .
C23 C22 C21 120.0(5) . .
C22 C23 C24 120.7(5) . 2_546
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 2_546 .
C22 C24 C23 120.1(5) . 2_546
C22 C24 H24 119.9 . .
C23 C24 H24 119.9 2_546 .
C14 N1 C13 103.3(4) . .
C14 N1 Zn1 126.5(3) . .
C13 N1 Zn1 130.0(3) . .
N2 C13 N1 114.2(4) . .
N2 C13 H13A 122.9 . .
N1 C13 H13A 122.9 . .
C14 N3 N2 110.3(3) . .
C14 N3 C15 128.9(4) . .
N2 N3 C15 120.8(4) . .
C20 N4 C19 103.9(4) . .
C20 N4 Zn1 125.2(3) . .
C19 N4 Zn1 130.7(3) . .
N5 C19 N4 113.7(4) . .
N5 C19 H19A 123.2 . .
N4 C19 H19A 123.2 . .
C20 N6 N5 109.9(4) . .
C20 N6 C21 128.4(4) . .
N5 N6 C21 121.4(4) . .
C1 O1 Zn1 115.6(3) . .
C8 O3 Zn1 105.6(2) . 1_655
C4 O5 C9 117.2(3) . .
O1 Zn1 O3 122.28(12) . 1_455
O1 Zn1 N1 105.90(14) . .
O3 Zn1 N1 112.82(13) 1_455 .
O1 Zn1 N4 114.66(14) . .
O3 Zn1 N4 95.04(13) 1_455 .
N1 Zn1 N4 104.85(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.225(5) .
C1 O1 1.265(5) .
C1 C2 1.508(5) .
C2 C3 1.383(5) .
C2 C7 1.390(5) .
C3 C4 1.401(6) .
C3 H3 0.9300 .
C4 O5 1.371(5) .
C4 C5 1.388(6) .
C5 C6 1.382(5) .
C5 H5 0.9300 .
C6 C7 1.392(5) .
C6 C8 1.495(5) .
C8 O4 1.234(5) .
C8 O3 1.276(5) .
C7 H7 0.9300 .
C9 O5 1.421(5) .
C9 C10 1.514(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.356(7) .
C10 C12 1.385(7) .
C11 C12 1.383(7) 2_777
C11 H11 0.9300 .
C12 C11 1.383(7) 2_777
C12 H12 0.9300 .
N2 C13 1.305(6) .
N2 N3 1.356(5) .
C14 N1 1.314(5) .
C14 N3 1.314(5) .
C14 H14 0.9300 .
C15 N3 1.476(5) .
C15 C16 1.497(7) .
C15 H15B 0.9599 .
C15 H15A 0.9600 .
C16 C17 1.379(7) .
C16 C18 1.391(7) .
C17 C18 1.389(7) 2_668
C17 H17 0.9300 .
C18 C17 1.389(7) 2_668
C18 H18 0.9300 .
N5 C19 1.318(6) .
N5 N6 1.362(6) .
C20 N6 1.315(5) .
C20 N4 1.322(5) .
C20 H20 0.9300 .
C21 N6 1.475(6) .
C21 C22 1.496(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C24 1.374(7) .
C22 C23 1.378(7) .
C23 C24 1.387(7) 2_546
C23 H23 0.9300 .
C24 C23 1.387(7) 2_546
C24 H24 0.9300 .
N1 C13 1.351(6) .
N1 Zn1 2.025(3) .
C13 H13A 0.9300 .
N4 C19 1.343(6) .
N4 Zn1 2.041(3) .
C19 H19A 0.9300 .
O1 Zn1 1.947(3) .
O3 Zn1 1.970(3) 1_655
Zn1 O3 1.970(3) 1_455
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
C14 H14 O4 0.93 2.19 3.041(5) 151.2 2_767
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_4
O2 C1 C2 C3 -157.3(4) .
O1 C1 C2 C3 19.9(6) .
O2 C1 C2 C7 17.0(6) .
O1 C1 C2 C7 -165.8(4) .
C7 C2 C3 C4 -1.6(6) .
C1 C2 C3 C4 172.6(4) .
C2 C3 C4 O5 -178.6(4) .
C2 C3 C4 C5 -0.4(6) .
O5 C4 C5 C6 -179.9(4) .
C3 C4 C5 C6 2.0(6) .
C4 C5 C6 C7 -1.6(6) .
C4 C5 C6 C8 -178.8(4) .
C5 C6 C8 O4 13.9(6) .
C7 C6 C8 O4 -163.3(4) .
C5 C6 C8 O3 -168.7(4) .
C7 C6 C8 O3 14.1(6) .
C5 C6 C7 C2 -0.4(6) .
C8 C6 C7 C2 176.8(4) .
C3 C2 C7 C6 2.0(6) .
C1 C2 C7 C6 -172.3(4) .
O5 C9 C10 C11 -83.1(5) .
O5 C9 C10 C12 96.3(5) .
C12 C10 C11 C12 -1.1(9) 2_777
C9 C10 C11 C12 178.3(5) 2_777
C11 C10 C12 C11 1.1(9) 2_777
C9 C10 C12 C11 -178.3(5) 2_777
N3 C15 C16 C17 -92.3(5) .
N3 C15 C16 C18 89.9(5) .
C18 C16 C17 C18 0.7(8) 2_668
C15 C16 C17 C18 -177.2(4) 2_668
C17 C16 C18 C17 -0.7(8) 2_668
C15 C16 C18 C17 177.2(4) 2_668
N6 C21 C22 C24 87.4(7) .
N6 C21 C22 C23 -93.8(6) .
C24 C22 C23 C24 0.0(8) 2_546
C21 C22 C23 C24 -178.8(4) 2_546
C23 C22 C24 C23 0.0(8) 2_546
C21 C22 C24 C23 178.8(4) 2_546
N3 C14 N1 C13 0.7(5) .
N3 C14 N1 Zn1 -173.9(3) .
N3 N2 C13 N1 1.2(6) .
C14 N1 C13 N2 -1.2(6) .
Zn1 N1 C13 N2 173.1(4) .
N1 C14 N3 N2 0.0(5) .
N1 C14 N3 C15 177.2(4) .
C13 N2 N3 C14 -0.7(6) .
C13 N2 N3 C15 -178.2(4) .
C16 C15 N3 C14 115.8(5) .
C16 C15 N3 N2 -67.1(6) .
N6 C20 N4 C19 0.1(5) .
N6 C20 N4 Zn1 175.6(3) .
N6 N5 C19 N4 -0.1(7) .
C20 N4 C19 N5 0.0(6) .
Zn1 N4 C19 N5 -175.2(4) .
N4 C20 N6 N5 -0.1(6) .
N4 C20 N6 C21 -173.6(5) .
C19 N5 N6 C20 0.1(6) .
C19 N5 N6 C21 174.2(5) .
C22 C21 N6 C20 -160.6(5) .
C22 C21 N6 N5 26.6(8) .
O2 C1 O1 Zn1 18.2(6) .
C2 C1 O1 Zn1 -158.8(3) .
O4 C8 O3 Zn1 8.3(5) 1_655
C6 C8 O3 Zn1 -169.1(3) 1_655
C5 C4 O5 C9 2.3(6) .
C3 C4 O5 C9 -179.5(4) .
C10 C9 O5 C4 -178.5(4) .
C1 O1 Zn1 O3 -169.9(3) 1_455
C1 O1 Zn1 N1 59.0(3) .
C1 O1 Zn1 N4 -56.1(3) .
C14 N1 Zn1 O1 32.0(4) .
C13 N1 Zn1 O1 -141.2(4) .
C14 N1 Zn1 O3 -104.3(4) 1_455
C13 N1 Zn1 O3 82.6(4) 1_455
C14 N1 Zn1 N4 153.6(3) .
C13 N1 Zn1 N4 -19.5(5) .
C20 N4 Zn1 O1 -112.3(4) .
C19 N4 Zn1 O1 62.0(5) .
C20 N4 Zn1 O3 16.7(4) 1_455
C19 N4 Zn1 O3 -169.0(4) 1_455
C20 N4 Zn1 N1 132.0(4) .
C19 N4 Zn1 N1 -53.7(5) .
