#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:28:00 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179632 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/96/4509668.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_4509668
loop_
_publ_author_name
'Su, Zhi'
'Bai, Zheng-Shuai'
'Fan, Jian'
'Xu, Jing'
'Sun, Wei-Yin'
_publ_section_title
;
 Synthesis and Characterization of 3d-3d Homo- and Heterometallic
 Coordination Polymers with Mixed Ligands
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5190
_journal_paper_doi               10.1021/cg900613p
_journal_volume                  9
_journal_year                    2009
_chemical_formula_moiety         'C22 H14 N4 O9 Zn2, H2 O'
_chemical_formula_sum            'C22 H16 N4 O10 Zn2'
_chemical_formula_weight         627.13
_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                100.014(3)
_cell_angle_beta                 93.657(2)
_cell_angle_gamma                105.699(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1541(9)
_cell_length_b                   10.4047(11)
_cell_length_c                   14.2934(15)
_cell_measurement_reflns_used    3316
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.29
_cell_volume                     1141.8(2)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0963
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5791
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    2.170
_exptl_absorpt_correction_T_max  0.8123
_exptl_absorpt_correction_T_min  0.6708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs,Bruker(2000)
_exptl_crystal_colour            corlorless
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_meas      1.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         4003
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0644P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                3463
_reflns_number_total             4003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900613psup1.cif
_cod_data_source_block           1
_cod_database_code               4509668
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
Zn1 Zn 0.80338(5) 0.86799(4) -0.01952(3) 0.02664(14) Uani 1 1 d .
Zn2 Zn 1.13468(5) 0.20210(4) -0.47290(3) 0.02617(14) Uani 1 1 d .
C1 C 0.5021(4) 0.8373(3) 0.3071(2) 0.0239(7) Uani 1 1 d .
C2 C 0.4762(4) 0.7037(4) 0.3162(2) 0.0258(7) Uani 1 1 d .
H2A H 0.5319 0.6483 0.2806 0.031 Uiso 1 1 calc R
C3 C 0.3656(4) 0.6539(3) 0.3793(2) 0.0246(7) Uani 1 1 d .
C4 C 0.2868(4) 0.7369(3) 0.4345(2) 0.0254(7) Uani 1 1 d .
H4A H 0.2146 0.7029 0.4778 0.030 Uiso 1 1 calc R
C5 C 0.3158(4) 0.8703(3) 0.4250(2) 0.0228(7) Uani 1 1 d .
C6 C 0.4235(4) 0.9220(3) 0.3606(2) 0.0247(7) Uani 1 1 d .
H6A H 0.4425 1.0119 0.3537 0.030 Uiso 1 1 calc R
C7 C 0.7209(5) 1.0211(4) 0.2548(3) 0.0346(9) Uani 1 1 d .
H7A H 0.7345 1.0907 0.3078 0.041 Uiso 1 1 calc R
C8 C 0.8023(5) 1.0289(4) 0.1759(2) 0.0323(8) Uani 1 1 d .
H8A H 0.8825 1.1057 0.1650 0.039 Uiso 1 1 calc R
C9 C 0.6352(4) 0.8254(3) 0.1561(2) 0.0251(7) Uani 1 1 d .
H9A H 0.5771 0.7349 0.1299 0.030 Uiso 1 1 calc R
C10 C 0.3332(6) 0.4072(4) 0.3187(3) 0.0424(10) Uani 1 1 d .
H10A H 0.3713 0.4116 0.2591 0.051 Uiso 1 1 calc R
C11 C 0.2726(6) 0.2948(4) 0.3537(3) 0.0477(11) Uani 1 1 d .
H11A H 0.2615 0.2063 0.3222 0.057 Uiso 1 1 calc R
C12 C 0.2643(4) 0.4632(4) 0.4616(2) 0.0293(8) Uani 1 1 d .
H12A H 0.2475 0.5155 0.5180 0.035 Uiso 1 1 calc R
C13 C 0.2228(4) 0.9576(4) 0.4807(2) 0.0235(7) Uani 1 1 d .
C14 C 0.8534(4) 0.4784(3) -0.1010(2) 0.0214(7) Uani 1 1 d .
C15 C 0.9473(4) 0.4759(3) -0.1802(2) 0.0223(7) Uani 1 1 d .
H15A H 0.9832 0.5533 -0.2064 0.027 Uiso 1 1 calc R
C16 C 0.9860(4) 0.3574(3) -0.2191(2) 0.0217(7) Uani 1 1 d .
C17 C 0.9401(4) 0.2442(3) -0.1786(2) 0.0223(7) Uani 1 1 d .
H17A H 0.9713 0.1668 -0.2038 0.027 Uiso 1 1 calc R
C18 C 0.8475(4) 0.2446(3) -0.1005(2) 0.0216(7) Uani 1 1 d .
C19 C 0.8032(4) 0.3614(3) -0.0639(2) 0.0224(7) Uani 1 1 d .
H19A H 0.7379 0.3611 -0.0129 0.027 Uiso 1 1 calc R
C20 C 0.8103(4) 0.6045(3) -0.0561(2) 0.0239(7) Uani 1 1 d .
C21 C 1.0785(4) 0.3529(4) -0.3074(2) 0.0270(8) Uani 1 1 d .
C22 C 0.7972(4) 0.1236(3) -0.0549(2) 0.0238(7) Uani 1 1 d .
O1 O 0.1064(3) 0.9025(2) 0.52750(16) 0.0274(5) Uani 1 1 d .
O2 O 0.2689(3) 1.0804(2) 0.47950(17) 0.0295(6) Uani 1 1 d .
O3 O 0.8738(3) 0.7128(2) -0.08697(16) 0.0263(5) Uani 1 1 d .
O4 O 0.7156(3) 0.5993(3) 0.00834(18) 0.0358(6) Uani 1 1 d .
O5 O 1.1270(5) 0.4532(3) -0.3417(2) 0.0653(10) Uani 1 1 d .
O6 O 1.0989(3) 0.2371(3) -0.34190(16) 0.0323(6) Uani 1 1 d .
O7 O 0.6708(3) 0.1052(3) -0.0107(2) 0.0393(7) Uani 1 1 d .
O8 O 0.8925(3) 0.0417(2) -0.06364(17) 0.0277(5) Uani 1 1 d .
O9 O 0.5633(3) 0.8107(3) -0.0965(2) 0.0387(7) Uani 1 1 d D
O10 O 0.5984(3) 0.4631(3) 0.1508(2) 0.0450(7) Uani 1 1 d D
N1 N 0.7471(3) 0.9042(3) 0.11398(19) 0.0246(6) Uani 1 1 d .
N2 N 0.6147(3) 0.8914(3) 0.24181(19) 0.0235(6) Uani 1 1 d .
N3 N 0.3282(4) 0.5141(3) 0.3876(2) 0.0282(7) Uani 1 1 d .
N4 N 0.2287(4) 0.3311(3) 0.4446(2) 0.0340(7) Uani 1 1 d .
H8 H 0.518(4) 0.7283(12) -0.111(3) 0.051 Uiso 1 1 d D
H10 H 0.652(4) 0.501(4) 0.111(2) 0.051 Uiso 1 1 d D
H9 H 0.499(4) 0.847(3) -0.067(3) 0.051 Uiso 1 1 d D
H11 H 0.666(4) 0.462(5) 0.1953(18) 0.051 Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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 O8 115.12(9) . 1_565
O3 Zn1 N1 129.03(11) . .
O8 Zn1 N1 110.34(10) 1_565 .
O3 Zn1 O9 94.97(10) . .
O8 Zn1 O9 96.71(11) 1_565 .
N1 Zn1 O9 101.57(11) . .
O6 Zn2 O2 121.72(11) . 1_644
O6 Zn2 N4 129.58(12) . 1_654
O2 Zn2 N4 92.65(11) 1_644 1_654
O6 Zn2 O1 98.33(10) . 2_665
O2 Zn2 O1 103.70(10) 1_644 2_665
N4 Zn2 O1 108.58(12) 1_654 2_665
C6 C1 C2 121.7(3) . .
C6 C1 N2 118.5(3) . .
C2 C1 N2 119.8(3) . .
C3 C2 C1 118.5(3) . .
C3 C2 H2A 120.8 . .
C1 C2 H2A 120.8 . .
C2 C3 C4 121.0(3) . .
C2 C3 N3 120.4(3) . .
C4 C3 N3 118.6(3) . .
C5 C4 C3 119.5(3) . .
C5 C4 H4A 120.2 . .
C3 C4 H4A 120.2 . .
C4 C5 C6 120.6(3) . .
C4 C5 C13 119.4(3) . .
C6 C5 C13 119.9(3) . .
C1 C6 C5 118.7(3) . .
C1 C6 H6A 120.6 . .
C5 C6 H6A 120.6 . .
C8 C7 N2 106.7(3) . .
C8 C7 H7A 126.7 . .
N2 C7 H7A 126.7 . .
C7 C8 N1 108.9(3) . .
C7 C8 H8A 125.6 . .
N1 C8 H8A 125.6 . .
N1 C9 N2 111.4(3) . .
N1 C9 H9A 124.3 . .
N2 C9 H9A 124.3 . .
C11 C10 N3 106.5(3) . .
C11 C10 H10A 126.8 . .
N3 C10 H10A 126.8 . .
C10 C11 N4 109.1(3) . .
C10 C11 H11A 125.4 . .
N4 C11 H11A 125.4 . .
N4 C12 N3 111.2(3) . .
N4 C12 H12A 124.4 . .
N3 C12 H12A 124.4 . .
O2 C13 O1 124.5(3) . .
O2 C13 C5 117.0(3) . .
O1 C13 C5 118.5(3) . .
C19 C14 C15 118.4(3) . .
C19 C14 C20 120.1(3) . .
C15 C14 C20 121.5(3) . .
C16 C15 C14 119.7(3) . .
C16 C15 H15A 120.2 . .
C14 C15 H15A 120.2 . .
C17 C16 C15 120.7(3) . .
C17 C16 C21 119.8(3) . .
C15 C16 C21 119.5(3) . .
C16 C17 C18 120.5(3) . .
C16 C17 H17A 119.8 . .
C18 C17 H17A 119.8 . .
C17 C18 C19 118.7(3) . .
C17 C18 C22 121.5(3) . .
C19 C18 C22 119.8(3) . .
C14 C19 C18 122.0(3) . .
C14 C19 H19A 119.0 . .
C18 C19 H19A 119.0 . .
O4 C20 O3 123.1(3) . .
O4 C20 C14 119.4(3) . .
O3 C20 C14 117.5(3) . .
O5 C21 O6 123.9(3) . .
O5 C21 C16 120.9(3) . .
O6 C21 C16 115.2(3) . .
O7 C22 O8 122.8(3) . .
O7 C22 C18 120.2(3) . .
O8 C22 C18 117.0(3) . .
C13 O1 Zn2 125.5(2) . 2_665
C13 O2 Zn2 122.1(2) . 1_466
C20 O3 Zn1 111.79(19) . .
C21 O6 Zn2 117.7(2) . .
C22 O8 Zn1 116.0(2) . 1_545
Zn1 O9 H8 115(3) . .
Zn1 O9 H9 110(3) . .
H8 O9 H9 109.3(17) . .
H10 O10 H11 109.0(17) . .
C9 N1 C8 106.0(3) . .
C9 N1 Zn1 128.4(2) . .
C8 N1 Zn1 124.9(2) . .
C9 N2 C7 107.0(3) . .
C9 N2 C1 126.7(3) . .
C7 N2 C1 126.3(3) . .
C12 N3 C10 107.5(3) . .
C12 N3 C3 125.4(3) . .
C10 N3 C3 126.8(3) . .
C12 N4 C11 105.8(3) . .
C12 N4 Zn2 129.3(2) . 1_456
C11 N4 Zn2 124.9(3) . 1_456
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.974(2) .
Zn1 O8 1.984(2) 1_565
Zn1 N1 1.987(3) .
Zn1 O9 2.064(3) .
Zn2 O6 1.901(2) .
Zn2 O2 1.951(2) 1_644
Zn2 N4 1.972(3) 1_654
Zn2 O1 2.002(2) 2_665
C1 C6 1.381(4) .
C1 C2 1.379(5) .
C1 N2 1.429(4) .
C2 C3 1.382(4) .
C2 H2A 0.9300 .
C3 C4 1.382(4) .
C3 N3 1.432(4) .
C4 C5 1.376(5) .
C4 H4A 0.9300 .
C5 C6 1.388(4) .
C5 C13 1.494(4) .
C6 H6A 0.9300 .
C7 C8 1.348(5) .
C7 N2 1.366(4) .
C7 H7A 0.9300 .
C8 N1 1.379(4) .
C8 H8A 0.9300 .
C9 N1 1.305(4) .
C9 N2 1.340(4) .
C9 H9A 0.9300 .
C10 C11 1.336(6) .
C10 N3 1.363(4) .
C10 H10A 0.9300 .
C11 N4 1.385(4) .
C11 H11A 0.9300 .
C12 N4 1.301(4) .
C12 N3 1.336(4) .
C12 H12A 0.9300 .
C13 O2 1.234(4) .
C13 O1 1.264(4) .
C14 C19 1.383(5) .
C14 C15 1.407(4) .
C14 C20 1.498(4) .
C15 C16 1.386(4) .
C15 H15A 0.9300 .
C16 C17 1.375(5) .
C16 C21 1.511(4) .
C17 C18 1.388(4) .
C17 H17A 0.9300 .
C18 C19 1.386(4) .
C18 C22 1.489(5) .
C19 H19A 0.9300 .
C20 O4 1.238(4) .
C20 O3 1.273(4) .
C21 O5 1.211(5) .
C21 O6 1.278(4) .
C22 O7 1.231(4) .
C22 O8 1.296(4) .
O1 Zn2 2.002(2) 2_665
O2 Zn2 1.951(2) 1_466
O8 Zn1 1.984(2) 1_545
O9 H8 0.820(10) .
O9 H9 0.821(10) .
O10 H10 0.827(10) .
O10 H11 0.819(10) .
N4 Zn2 1.972(3) 1_456
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
C6 C1 C2 C3 1.4(5) . .
N2 C1 C2 C3 -179.5(3) . .
C1 C2 C3 C4 -2.1(5) . .
C1 C2 C3 N3 176.9(3) . .
C2 C3 C4 C5 1.5(5) . .
N3 C3 C4 C5 -177.5(3) . .
C3 C4 C5 C6 -0.1(5) . .
C3 C4 C5 C13 176.6(3) . .
C2 C1 C6 C5 -0.1(5) . .
N2 C1 C6 C5 -179.2(3) . .
C4 C5 C6 C1 -0.5(5) . .
C13 C5 C6 C1 -177.3(3) . .
N2 C7 C8 N1 -0.1(5) . .
N3 C10 C11 N4 0.3(5) . .
C4 C5 C13 O2 170.9(3) . .
C6 C5 C13 O2 -12.3(5) . .
C4 C5 C13 O1 -7.4(5) . .
C6 C5 C13 O1 169.3(3) . .
C19 C14 C15 C16 0.4(5) . .
C20 C14 C15 C16 179.3(3) . .
C14 C15 C16 C17 -2.8(5) . .
C14 C15 C16 C21 176.7(3) . .
C15 C16 C17 C18 2.8(5) . .
C21 C16 C17 C18 -176.7(3) . .
C16 C17 C18 C19 -0.3(5) . .
C16 C17 C18 C22 -179.6(3) . .
C15 C14 C19 C18 2.1(5) . .
C20 C14 C19 C18 -176.9(3) . .
C17 C18 C19 C14 -2.2(5) . .
C22 C18 C19 C14 177.1(3) . .
C19 C14 C20 O4 -7.0(5) . .
C15 C14 C20 O4 174.1(3) . .
C19 C14 C20 O3 173.2(3) . .
C15 C14 C20 O3 -5.7(5) . .
C17 C16 C21 O5 -176.6(4) . .
C15 C16 C21 O5 3.9(5) . .
C17 C16 C21 O6 3.9(5) . .
C15 C16 C21 O6 -175.6(3) . .
C17 C18 C22 O7 -154.5(3) . .
C19 C18 C22 O7 26.2(5) . .
C17 C18 C22 O8 26.0(5) . .
C19 C18 C22 O8 -153.2(3) . .
O2 C13 O1 Zn2 101.3(4) . 2_665
C5 C13 O1 Zn2 -80.5(4) . 2_665
O1 C13 O2 Zn2 -13.9(5) . 1_466
C5 C13 O2 Zn2 167.9(2) . 1_466
O4 C20 O3 Zn1 0.2(4) . .
C14 C20 O3 Zn1 -180.0(2) . .
O8 Zn1 O3 C20 -179.1(2) 1_565 .
N1 Zn1 O3 C20 30.0(3) . .
O9 Zn1 O3 C20 -79.3(2) . .
O5 C21 O6 Zn2 -21.8(5) . .
C16 C21 O6 Zn2 157.6(2) . .
O2 Zn2 O6 C21 150.6(2) 1_644 .
N4 Zn2 O6 C21 25.1(3) 1_654 .
O1 Zn2 O6 C21 -97.5(3) 2_665 .
O7 C22 O8 Zn1 9.4(4) . 1_545
C18 C22 O8 Zn1 -171.1(2) . 1_545
N2 C9 N1 C8 -0.1(4) . .
N2 C9 N1 Zn1 -171.0(2) . .
C7 C8 N1 C9 0.1(4) . .
C7 C8 N1 Zn1 171.4(3) . .
O3 Zn1 N1 C9 -54.6(3) . .
O8 Zn1 N1 C9 153.4(3) 1_565 .
O9 Zn1 N1 C9 51.7(3) . .
O3 Zn1 N1 C8 136.2(3) . .
O8 Zn1 N1 C8 -15.9(3) 1_565 .
O9 Zn1 N1 C8 -117.6(3) . .
N1 C9 N2 C7 0.1(4) . .
N1 C9 N2 C1 179.5(3) . .
C8 C7 N2 C9 0.0(4) . .
C8 C7 N2 C1 -179.4(3) . .
C6 C1 N2 C9 -144.4(3) . .
C2 C1 N2 C9 36.5(5) . .
C6 C1 N2 C7 34.9(5) . .
C2 C1 N2 C7 -144.2(4) . .
N4 C12 N3 C10 0.2(5) . .
N4 C12 N3 C3 173.8(3) . .
C11 C10 N3 C12 -0.3(5) . .
C11 C10 N3 C3 -173.8(4) . .
C2 C3 N3 C12 160.5(3) . .
C4 C3 N3 C12 -20.5(5) . .
C2 C3 N3 C10 -27.0(6) . .
C4 C3 N3 C10 152.0(4) . .
N3 C12 N4 C11 0.0(5) . .
N3 C12 N4 Zn2 179.3(2) . 1_456
C10 C11 N4 C12 -0.2(5) . .
C10 C11 N4 Zn2 -179.5(3) . 1_456
