#------------------------------------------------------------------------------
#$Date: 2018-05-22 18:06:13 +0300 (Tue, 22 May 2018) $
#$Revision: 207901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/07/7230719.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_7230719
loop_
_publ_author_name
'Cao, Jia-Peng'
'Shen, Feng-Cui'
'Luo, Xi-Ming'
'Cui, Chen-Hui'
'Lan, Ya-Qian'
'Xu, Yan'
_publ_section_title
;
 Proton conductivity resulting from different triazole-based ligands in
 two new bifunctional decavanadates
;
_journal_issue                   33
_journal_name_full               'RSC Advances'
_journal_page_first              18560
_journal_paper_doi               10.1039/C8RA02694G
_journal_volume                  8
_journal_year                    2018
_chemical_formula_sum            'C12 H64 N24 O48 V10 Zn3'
_chemical_formula_weight         2018.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-04-27 deposited with the CCDC.
2018-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                96.31(3)
_cell_angle_beta                 110.35(3)
_cell_angle_gamma                96.93(4)
_cell_formula_units_Z            1
_cell_length_a                   11.53(3)
_cell_length_b                   11.81(3)
_cell_length_c                   12.99(3)
_cell_measurement_reflns_used    944
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.00
_cell_measurement_theta_min      2.24
_cell_volume                     1624(7)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0879
_diffrn_reflns_av_unetI/netI     0.1605
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11126
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.005
_diffrn_reflns_theta_max         25.004
_diffrn_reflns_theta_min         1.695
_exptl_absorpt_coefficient_mu    2.574
_exptl_absorpt_correction_T_max  0.7650
_exptl_absorpt_correction_T_min  0.6835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_description       Block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       0.0100(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         5553
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1542
_refine_ls_R_factor_gt           0.0773
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0620P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1561
_refine_ls_wR_factor_ref         0.1780
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2857
_reflns_number_total             5553
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra02694g2.cif
_cod_data_source_block           a01
_cod_original_cell_volume        1624(8)
_cod_database_code               7230719
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.684
_shelx_estimated_absorpt_t_max   0.765
_exptl_absorpt_special_details
;
SADABS (Sheldrick, 2003) 
was used for absorption correction. R(int) was 0.1264 before and 
0.0788 after correction.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.5000 1.5000 0.0000 0.0282(5) Uani 1 2 d S . P . .
Zn2 Zn 1.38587(11) 1.35734(11) 0.20089(11) 0.0313(4) Uani 1 1 d D . . . .
V3 V 1.87476(15) 0.95104(15) -0.61214(14) 0.0241(5) Uani 1 1 d . . . . .
V4 V 1.85347(16) 1.10514(16) -0.40666(15) 0.0294(5) Uani 1 1 d . . . . .
V5 V 2.01519(16) 1.06792(17) -0.74756(15) 0.0324(5) Uani 1 1 d . . . . .
V1 V 1.74966(16) 0.83948(17) -0.46695(16) 0.0330(5) Uani 1 1 d . . . . .
V2 V 1.99029(16) 1.22063(16) -0.54454(15) 0.0309(5) Uani 1 1 d . . . . .
O1 O 1.9396(5) 0.9499(5) -0.4402(5) 0.0216(15) Uani 1 1 d . . . . .
O2 O 1.7376(5) 0.8723(6) -0.6223(5) 0.0266(17) Uani 1 1 d . . . . .
O3 O 1.8415(5) 1.1011(6) -0.5635(5) 0.0271(17) Uani 1 1 d . . . . .
O4 O 1.9327(7) 1.3362(6) -0.5283(6) 0.042(2) Uani 1 1 d . . . . .
O5 O 1.9691(6) 0.8277(6) -0.6068(5) 0.0299(17) Uani 1 1 d . . . . .
O6 O 1.8231(6) 0.8484(6) -0.3150(6) 0.0348(19) Uani 1 1 d . . . . .
O7 O 1.8577(6) 0.9738(6) -0.7440(5) 0.0299(17) Uani 1 1 d D . . . .
O8 O 1.9514(6) 1.1943(6) -0.6952(5) 0.0289(17) Uani 1 1 d . . . . .
O9 O 1.8011(7) 1.2229(6) -0.3873(6) 0.044(2) Uani 1 1 d . . . . .
O10 O 2.1588(6) 1.2743(6) -0.5082(6) 0.0340(18) Uani 1 1 d . . . . .
O11 O 1.6131(6) 0.7650(7) -0.4950(6) 0.049(2) Uani 1 1 d . . . . .
O12 O 1.7163(6) 0.9934(6) -0.4496(6) 0.0303(17) Uani 1 1 d . . . . .
O13 O 1.9221(6) 1.0733(6) -0.2622(5) 0.0325(18) Uani 1 1 d D . . . .
O14 O 1.9749(7) 1.0726(7) -0.8793(6) 0.048(2) Uani 1 1 d . . . . .
N1 N 1.2827(7) 1.3286(7) 0.0276(7) 0.029(2) Uani 1 1 d . . . . .
N2 N 1.3181(7) 1.3841(7) -0.0492(7) 0.027(2) Uani 1 1 d . . . . .
N3 N 1.2230(10) 1.3733(9) -0.2483(8) 0.064(3) Uani 1 1 d . . . . .
H3B H 1.2800 1.4257 -0.2512 0.077 Uiso 1 1 calc DR U . . .
H3C H 1.1617 1.3407 -0.3082 0.077 Uiso 1 1 calc R U . . .
C3 C 1.1783(10) 1.2560(10) -0.0282(10) 0.044(3) Uani 1 1 d . . . . .
H3A H 1.1353 1.2083 0.0039 0.052 Uiso 1 1 calc R U . . .
N5 N 1.5963(7) 1.3803(7) 0.1050(7) 0.028(2) Uani 1 1 d . . . . .
N6 N 1.5527(8) 1.3246(8) 0.1784(7) 0.034(2) Uani 1 1 d . . . . .
N7 N 1.6320(9) 1.1974(9) 0.3062(9) 0.063(3) Uani 1 1 d . . . . .
H7A H 1.5655 1.1877 0.3221 0.076 Uiso 1 1 calc R U . . .
H7B H 1.6935 1.1629 0.3374 0.076 Uiso 1 1 calc R U . . .
C6 C 1.7033(10) 1.3472(10) 0.1170(8) 0.039(3) Uani 1 1 d . . . . .
H6A H 1.7529 1.3700 0.0773 0.047 Uiso 1 1 calc DR U . . .
N9 N 1.4136(7) 1.5361(8) 0.2063(7) 0.030(2) Uani 1 1 d . . . . .
N10 N 1.4683(8) 1.5893(7) 0.1379(7) 0.032(2) Uani 1 1 d . . . . .
C5 C 1.4755(10) 1.7022(9) 0.1666(9) 0.032(3) Uani 1 1 d . . . . .
H5A H 1.5048 1.7582 0.1323 0.038 Uiso 1 1 calc R U . . .
N12 N 1.3533(8) 1.6088(8) 0.3550(7) 0.042(3) Uani 1 1 d . . . . .
H12A H 1.3293 1.5408 0.3660 0.050 Uiso 1 1 calc R U . . .
H12B H 1.3477 1.6690 0.3955 0.050 Uiso 1 1 calc R U . . .
C1 C 1.2297(11) 1.3424(11) -0.1498(10) 0.046(3) Uani 1 1 d . . . . .
C2 C 1.6400(9) 1.2668(9) 0.2321(9) 0.029(3) Uani 1 1 d . . . . .
N4 N 1.1406(9) 1.2595(8) -0.1403(8) 0.051(3) Uani 1 1 d . . . . .
H4A H 1.0759 1.2190 -0.1929 0.061 Uiso 1 1 calc R U . . .
C4 C 1.3997(9) 1.6208(10) 0.2744(9) 0.031(3) Uani 1 1 d . . . . .
N11 N 1.4355(8) 1.7261(8) 0.2509(7) 0.036(2) Uani 1 1 d . . . . .
H11A H 1.4331 1.7931 0.2829 0.043 Uiso 1 1 calc R U . . .
N8 N 1.7343(8) 1.2765(8) 0.1934(7) 0.037(2) Uani 1 1 d . . . . .
H8A H 1.8001 1.2444 0.2131 0.044 Uiso 1 1 calc R U . . .
O1W O 1.3475(8) 1.1789(6) 0.2127(8) 0.051(2) Uani 1 1 d D . . . .
H1WA H 1.310(9) 1.146(3) 0.252(7) 0.061 Uiso 1 1 d D U . . .
H1WB H 1.365(10) 1.120(2) 0.179(8) 0.061 Uiso 1 1 d D U . . .
O2W O 1.4881(7) 1.3924(8) 0.3827(6) 0.057(3) Uani 1 1 d D . . . .
H2WA H 1.520(3) 1.337(3) 0.417(3) 0.068 Uiso 1 1 d D U . . .
H2WB H 1.449(4) 1.406(3) 0.429(3) 0.068 Uiso 1 1 d D U . . .
O3W O 1.2149(8) 1.3632(8) 0.2386(8) 0.059(2) Uani 1 1 d D . . . .
H3WA H 1.149(3) 1.391(6) 0.207(9) 0.071 Uiso 1 1 d D U . . .
H3WB H 1.204(8) 1.320(9) 0.284(8) 0.071 Uiso 1 1 d D U . . .
O4W O 1.5340(7) 0.0455(7) -0.3541(6) 0.043(2) Uani 1 1 d D . . . .
H4WA H 1.464(4) 0.040(11) -0.407(5) 0.065 Uiso 1 1 d D U . . .
H4WB H 1.594(5) 0.061(10) -0.377(7) 0.065 Uiso 1 1 d D U . . .
O5W O 1.6054(8) 0.9286(9) -0.8977(7) 0.081(3) Uani 1 1 d D . . . .
H5WA H 1.658(2) 0.9924(17) -0.8749(17) 0.121 Uiso 1 1 d D U . . .
H5WB H 1.6580(16) 0.883(2) -0.874(5) 0.121 Uiso 1 1 d D U . . .
O6W O 1.2649(8) 0.5088(8) -0.4504(8) 0.075(3) Uani 1 1 d D . . . .
H6WA H 1.318(4) 0.512(9) -0.385(3) 0.113 Uiso 1 1 d D U . . .
H6WB H 1.285(2) 0.562(2) -0.4832(17) 0.113 Uiso 1 1 d D U . . .
O7W O 1.8423(9) 1.1371(8) -0.0884(7) 0.075(3) Uani 1 1 d D . . . .
H7WA H 1.851(5) 1.1715(18) -0.141(2) 0.113 Uiso 1 1 d D U . . .
H7WB H 1.820(7) 1.0655(19) -0.119(5) 0.113 Uiso 1 1 d D U . . .
O8W O 1.6201(9) 1.0046(8) -0.0893(7) 0.082(3) Uani 1 1 d D . . . .
H8WA H 1.6873 1.0033 -0.0336 0.122 Uiso 1 1 d DR U . . .
H8WB H 1.5572 0.9803 -0.0730 0.122 Uiso 1 1 d DR U . . .
O9W O 1.1199(15) 0.6290(11) 0.0441(13) 0.211(9) Uani 1 1 d D . . . .
H9WA H 1.0605 0.6678 0.0235 0.317 Uiso 1 1 d DR U . . .
H9WB H 1.1897 0.6749 0.0650 0.317 Uiso 1 1 d DR U . . .
O10W O 1.9653(15) 0.5189(14) -0.1565(13) 0.116(9) Uani 0.577(17) 1 d D U P A 1
H1WC H 1.9361 0.4667 -0.1287 0.174 Uiso 0.577(17) 1 d DR U P A 1
H1WD H 2.0380 0.5567 -0.1301 0.174 Uiso 0.577(17) 1 d DR U P A 1
O11W O 1.978(2) 0.488(2) -0.323(2) 0.108(12) Uani 0.423(17) 1 d D U P A 2
H1WE H 1.9697 0.4788 -0.2618 0.162 Uiso 0.423(17) 1 d DR U P A 2
H1WF H 1.9044 0.4777 -0.3760 0.162 Uiso 0.423(17) 1 d DR U P A 2
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'
V V 0.3005 0.5294 '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
N10 Zn1 N10 180.0 . 2_885
N10 Zn1 N5 89.4(4) . 2_885
N10 Zn1 N5 90.6(4) 2_885 2_885
N10 Zn1 N5 90.6(4) . .
N10 Zn1 N5 89.4(4) 2_885 .
N5 Zn1 N5 180.0 2_885 .
N10 Zn1 N2 89.4(3) . 2_885
N10 Zn1 N2 90.6(3) 2_885 2_885
N5 Zn1 N2 91.1(3) 2_885 2_885
N5 Zn1 N2 88.9(3) . 2_885
N10 Zn1 N2 90.6(3) . .
N10 Zn1 N2 89.4(3) 2_885 .
N5 Zn1 N2 88.9(3) 2_885 .
N5 Zn1 N2 91.1(3) . .
N2 Zn1 N2 180.0 2_885 .
N9 Zn2 N1 91.8(3) . .
N9 Zn2 N6 98.3(3) . .
N1 Zn2 N6 92.6(3) . .
N9 Zn2 O1W 172.2(3) . .
N1 Zn2 O1W 92.8(4) . .
N6 Zn2 O1W 87.8(3) . .
N9 Zn2 O3W 90.9(3) . .
N1 Zn2 O3W 91.9(4) . .
N6 Zn2 O3W 169.6(3) . .
O1W Zn2 O3W 82.7(3) . .
N9 Zn2 O2W 86.8(3) . .
N1 Zn2 O2W 177.5(3) . .
N6 Zn2 O2W 89.6(3) . .
O1W Zn2 O2W 88.4(3) . .
O3W Zn2 O2W 86.1(4) . .
O2 V3 O7 106.2(3) . .
O2 V3 O5 98.1(4) . .
O7 V3 O5 97.3(3) . .
O2 V3 O3 97.2(3) . .
O7 V3 O3 96.0(3) . .
O5 V3 O3 156.0(3) . .
O2 V3 O1 88.3(3) . .
O7 V3 O1 165.5(3) . .
O5 V3 O1 81.2(3) . .
O3 V3 O1 81.0(3) . .
O2 V3 O1 167.0(3) . 2_974
O7 V3 O1 86.8(3) . 2_974
O5 V3 O1 80.4(3) . 2_974
O3 V3 O1 80.6(3) . 2_974
O1 V3 O1 78.8(3) . 2_974
O2 V3 V1 39.5(2) . .
O7 V3 V1 145.7(2) . .
O5 V3 V1 89.7(3) . .
O3 V3 V1 90.5(2) . .
O1 V3 V1 48.8(2) . .
O1 V3 V1 127.6(2) 2_974 .
O2 V3 V5 143.7(2) . .
O7 V3 V5 37.5(2) . .
O5 V3 V5 89.4(3) . .
O3 V3 V5 89.2(2) . .
O1 V3 V5 128.0(2) . .
O1 V3 V5 49.2(2) 2_974 .
V1 V3 V5 176.79(8) . .
O9 V4 O12 104.0(4) . .
O9 V4 O13 102.3(4) . .
O12 V4 O13 95.3(3) . .
O9 V4 O3 100.4(3) . .
O12 V4 O3 90.9(3) . .
O13 V4 O3 154.2(3) . .
O9 V4 O5 99.9(4) . 2_974
O12 V4 O5 154.5(3) . 2_974
O13 V4 O5 88.1(3) . 2_974
O3 V4 O5 76.0(3) . 2_974
O9 V4 O1 174.4(3) . .
O12 V4 O1 80.5(3) . .
O13 V4 O1 80.3(3) . .
O3 V4 O1 76.0(3) . .
O5 V4 O1 75.1(3) 2_974 .
O9 V4 V2 89.4(3) . .
O12 V4 V2 130.6(3) . .
O13 V4 V2 128.3(3) . .
O3 V4 V2 39.7(2) . .
O5 V4 V2 40.2(2) 2_974 .
O1 V4 V2 85.1(2) . .
O14 V5 O6 104.2(4) . 2_974
O14 V5 O13 101.4(4) . 2_974
O6 V5 O13 91.0(3) 2_974 2_974
O14 V5 O8 103.2(4) . .
O6 V5 O8 90.5(4) 2_974 .
O13 V5 O8 154.2(3) 2_974 .
O14 V5 O7 101.1(3) . .
O6 V5 O7 154.7(3) 2_974 .
O13 V5 O7 84.5(3) 2_974 .
O8 V5 O7 83.2(3) . .
O14 V5 O1 175.7(3) . 2_974
O6 V5 O1 80.0(3) 2_974 2_974
O13 V5 O1 77.4(3) 2_974 2_974
O8 V5 O1 77.5(3) . 2_974
O7 V5 O1 74.7(2) . 2_974
O14 V5 V3 131.9(3) . .
O6 V5 V3 123.9(3) 2_974 .
O13 V5 V3 79.0(2) 2_974 .
O8 V5 V3 78.8(3) . .
O7 V5 V3 30.88(19) . .
O1 V5 V3 43.86(18) 2_974 .
O14 V5 V1 136.8(3) . 2_974
O6 V5 V1 32.6(2) 2_974 2_974
O13 V5 V1 84.0(2) 2_974 2_974
O8 V5 V1 83.5(3) . 2_974
O7 V5 V1 122.1(2) . 2_974
O1 V5 V1 47.40(18) 2_974 2_974
V3 V5 V1 91.3(2) . 2_974
O11 V1 O6 102.7(4) . .
O11 V1 O10 102.2(4) . 2_974
O6 V1 O10 91.6(3) . 2_974
O11 V1 O12 101.3(4) . .
O6 V1 O12 91.1(3) . .
O10 V1 O12 155.1(3) 2_974 .
O11 V1 O2 101.0(3) . .
O6 V1 O2 156.3(3) . .
O10 V1 O2 84.7(3) 2_974 .
O12 V1 O2 82.9(3) . .
O11 V1 O1 175.6(3) . .
O6 V1 O1 81.5(3) . .
O10 V1 O1 78.6(3) 2_974 .
O12 V1 O1 77.4(3) . .
O2 V1 O1 74.7(2) . .
O11 V1 V3 132.5(3) . .
O6 V1 V3 124.8(3) . .
O10 V1 V3 79.4(3) 2_974 .
O12 V1 V3 78.8(2) . .
O2 V1 V3 31.50(18) . .
O1 V1 V3 43.25(18) . .
O11 V1 V5 135.6(3) . 2_974
O6 V1 V5 32.9(2) . 2_974
O10 V1 V5 84.8(3) 2_974 2_974
O12 V1 V5 84.2(2) . 2_974
O2 V1 V5 123.4(2) . 2_974
O1 V1 V5 48.7(2) . 2_974
V3 V1 V5 91.9(2) . 2_974
O4 V2 O8 101.9(3) . .
O4 V2 O10 103.9(4) . .
O8 V2 O10 95.7(3) . .
O4 V2 O3 99.4(4) . .
O8 V2 O3 89.5(3) . .
O10 V2 O3 154.4(3) . .
O4 V2 O5 101.7(4) . 2_974
O8 V2 O5 154.0(3) . 2_974
O10 V2 O5 89.0(3) . 2_974
O3 V2 O5 76.0(3) . 2_974
O4 V2 O1 174.8(3) . 2_974
O8 V2 O1 81.0(3) . 2_974
O10 V2 O1 79.9(3) . 2_974
O3 V2 O1 76.2(3) . 2_974
O5 V2 O1 74.7(3) 2_974 2_974
O4 V2 V4 89.9(3) . .
O8 V2 V4 128.7(2) . .
O10 V2 V4 129.8(2) . .
O3 V2 V4 39.2(2) . .
O5 V2 V4 40.8(2) 2_974 .
O1 V2 V4 84.9(2) 2_974 .
V3 O1 V3 101.2(2) . 2_974
V3 O1 V4 93.0(3) . .
V3 O1 V4 93.6(3) 2_974 .
V3 O1 V2 93.5(3) . 2_974
V3 O1 V2 92.6(3) 2_974 2_974
V4 O1 V2 170.0(3) . 2_974
V3 O1 V1 88.0(2) . .
V3 O1 V1 170.8(3) 2_974 .
V4 O1 V1 86.6(3) . .
V2 O1 V1 86.0(3) 2_974 .
V3 O1 V5 171.9(3) . 2_974
V3 O1 V5 86.9(2) 2_974 2_974
V4 O1 V5 86.8(2) . 2_974
V2 O1 V5 85.8(2) 2_974 2_974
V1 O1 V5 83.9(2) . 2_974
V3 O2 V1 109.0(3) . .
V3 O3 V4 107.1(3) . .
V3 O3 V2 108.0(3) . .
V4 O3 V2 101.1(3) . .
V3 O5 V2 108.1(3) . 2_974
V3 O5 V4 108.6(4) . 2_974
V2 O5 V4 98.9(3) 2_974 2_974
V1 O6 V5 114.5(4) . 2_974
V3 O7 V5 111.6(3) . .
V2 O8 V5 114.8(3) . .
V2 O10 V1 114.3(4) . 2_974
V4 O12 V1 114.5(4) . .
V4 O13 V5 114.6(4) . 2_974
C3 N1 N2 107.4(9) . .
C3 N1 Zn2 127.9(8) . .
N2 N1 Zn2 124.6(6) . .
C1 N2 N1 106.8(9) . .
C1 N2 Zn1 131.1(8) . .
N1 N2 Zn1 121.7(6) . .
C1 N3 H3B 120.0 . .
C1 N3 H3C 120.0 . .
H3B N3 H3C 120.0 . .
N1 C3 N4 111.2(10) . .
N1 C3 H3A 124.4 . .
N4 C3 H3A 124.4 . .
C6 N5 N6 104.9(8) . .
C6 N5 Zn1 129.8(7) . .
N6 N5 Zn1 125.3(6) . .
C2 N6 N5 107.4(8) . .
C2 N6 Zn2 131.2(7) . .
N5 N6 Zn2 120.9(6) . .
C2 N7 H7A 120.0 . .
C2 N7 H7B 120.0 . .
H7A N7 H7B 120.0 . .
N5 C6 N8 112.6(9) . .
N5 C6 H6A 123.7 . .
N8 C6 H6A 123.7 . .
C4 N9 N10 106.5(9) . .
C4 N9 Zn2 131.2(7) . .
N10 N9 Zn2 122.0(6) . .
C5 N10 N9 105.3(9) . .
C5 N10 Zn1 128.8(7) . .
N9 N10 Zn1 125.1(6) . .
N10 C5 N11 112.2(10) . .
N10 C5 H5A 123.9 . .
N11 C5 H5A 123.9 . .
C4 N12 H12A 120.0 . .
C4 N12 H12B 120.0 . .
H12A N12 H12B 120.0 . .
N2 C1 N3 127.7(11) . .
N2 C1 N4 109.9(10) . .
N3 C1 N4 122.4(11) . .
N6 C2 N8 110.0(9) . .
N6 C2 N7 126.1(10) . .
N8 C2 N7 123.6(9) . .
C3 N4 C1 104.6(9) . .
C3 N4 H4A 127.7 . .
C1 N4 H4A 127.7 . .
N9 C4 N12 126.3(10) . .
N9 C4 N11 111.2(10) . .
N12 C4 N11 122.5(11) . .
C5 N11 C4 104.7(9) . .
C5 N11 H11A 127.6 . .
C4 N11 H11A 127.6 . .
C2 N8 C6 105.0(8) . .
C2 N8 H8A 127.5 . .
C6 N8 H8A 127.5 . .
Zn2 O1W H1WA 130(3) . .
Zn2 O1W H1WB 129(2) . .
H1WA O1W H1WB 102(3) . .
Zn2 O2W H2WA 120(3) . .
Zn2 O2W H2WB 121(3) . .
H2WA O2W H2WB 91(2) . .
Zn2 O3W H3WA 131(6) . .
Zn2 O3W H3WB 116(6) . .
H3WA O3W H3WB 111(4) . .
H4WA O4W H4WB 110(4) . .
H5WA O5W H5WB 97(2) . .
H6WA O6W H6WB 113(3) . .
H7WA O7W H7WB 103(3) . .
H8WA O8W H8WB 108.3 . .
H9WA O9W H9WB 108.8 . .
H1WC O10W H1WD 126.0 . .
H1WE O11W H1WF 110.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N10 2.141(10) .
Zn1 N10 2.141(10) 2_885
Zn1 N5 2.201(9) 2_885
Zn1 N5 2.201(9) .
Zn1 N2 2.205(9) 2_885
Zn1 N2 2.205(9) .
Zn2 N9 2.086(11) .
Zn2 N1 2.114(10) .
Zn2 N6 2.116(10) .
Zn2 O1W 2.133(9) .
Zn2 O3W 2.197(10) .
Zn2 O2W 2.207(9) .
V3 O2 1.690(7) .
V3 O7 1.710(8) .
V3 O5 1.913(8) .
V3 O3 1.941(8) .
V3 O1 2.097(8) .
V3 O1 2.149(8) 2_974
V3 V1 3.058(6) .
V3 V5 3.098(6) .
V4 O9 1.610(8) .
V4 O12 1.809(8) .
V4 O13 1.866(8) .
V4 O3 1.988(8) .
V4 O5 2.043(8) 2_974
V4 O1 2.258(8) .
V4 V2 3.088(6) .
V5 O14 1.619(8) .
V5 O6 1.855(8) 2_974
V5 O13 1.896(8) 2_974
V5 O8 1.903(8) .
V5 O7 2.030(8) .
V5 O1 2.349(9) 2_974
V5 V1 3.110(6) 2_974
V1 O11 1.607(8) .
V1 O6 1.842(8) .
V1 O10 1.873(8) 2_974
V1 O12 1.908(8) .
V1 O2 2.056(8) .
V1 O1 2.302(8) .
V1 V5 3.110(6) 2_974
V2 O4 1.612(8) .
V2 O8 1.830(8) .
V2 O10 1.843(9) .
V2 O3 2.010(8) .
V2 O5 2.020(8) 2_974
V2 O1 2.272(8) 2_974
O1 V3 2.149(8) 2_974
O1 V2 2.272(8) 2_974
O1 V5 2.349(9) 2_974
O5 V2 2.020(8) 2_974
O5 V4 2.043(8) 2_974
O6 V5 1.855(8) 2_974
O10 V1 1.873(8) 2_974
O13 V5 1.896(8) 2_974
N1 C3 1.310(13) .
N1 N2 1.399(10) .
N2 C1 1.342(14) .
N3 C1 1.347(14) .
N3 H3B 0.8600 .
N3 H3C 0.8600 .
C3 N4 1.375(15) .
C3 H3A 0.9300 .
N5 C6 1.301(12) .
N5 N6 1.408(11) .
N6 C2 1.322(12) .
N7 C2 1.350(13) .
N7 H7A 0.8600 .
N7 H7B 0.8600 .
C6 N8 1.348(13) .
C6 H6A 0.9300 .
N9 C4 1.323(13) .
N9 N10 1.415(10) .
N10 C5 1.329(13) .
C5 N11 1.344(13) .
C5 H5A 0.9300 .
N12 C4 1.343(13) .
N12 H12A 0.8600 .
N12 H12B 0.8600 .
C1 N4 1.379(14) .
C2 N8 1.346(13) .
N4 H4A 0.8600 .
C4 N11 1.363(13) .
N11 H11A 0.8600 .
N8 H8A 0.8600 .
O1W H1WA 0.863(10) .
O1W H1WB 0.863(10) .
O2W H2WA 0.874(10) .
O2W H2WB 0.873(10) .
O3W H3WA 0.857(10) .
O3W H3WB 0.851(11) .
O4W H4WA 0.851(11) .
O4W H4WB 0.849(11) .
O5W H5WA 0.861(10) .
O5W H5WB 0.859(10) .
O6W H6WA 0.855(10) .
O6W H6WB 0.848(10) .
O7W H7WA 0.854(10) .
O7W H7WB 0.861(11) .
O8W H8WA 0.8601 .
O8W H8WB 0.8515 .
O9W H9WA 0.8518 .
O9W H9WB 0.8513 .
O10W H1WC 0.8395 .
O10W H1WD 0.8344 .
O11W H1WE 0.8504 .
O11W H1WF 0.8680 .
