#------------------------------------------------------------------------------
#$Date: 2018-05-22 18:06:13 +0300 (Tue, 22 May 2018) $
#$Revision: 207901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/07/7230720.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_7230720
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            'C16 H48 N24 O40 V10 Zn3'
_chemical_formula_weight         1922.29
_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                117.801(12)
_cell_angle_beta                 94.002(15)
_cell_angle_gamma                103.534(13)
_cell_formula_units_Z            1
_cell_length_a                   10.775(13)
_cell_length_b                   12.464(15)
_cell_length_c                   13.191(16)
_cell_measurement_reflns_used    3662
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.32
_cell_volume                     1490(3)
_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 0.969
_diffrn_measured_fraction_theta_max 0.956
_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  0.0542
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10455
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.495
_diffrn_reflns_theta_min         1.870
_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_T_max  0.7307
_exptl_absorpt_correction_T_min  0.6797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.142
_exptl_crystal_description       Block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.356
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         5292
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0734P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1382
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3884
_reflns_number_total             5292
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra02694g2.cif
_cod_data_source_block           a01_CCDC1
_cod_database_code               7230720
_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   0.680
_shelx_estimated_absorpt_t_max   0.731
_exptl_absorpt_special_details
;
SADABS (Sheldrick, 2003) 
was used for absorption correction. R(int) was 0.0927 before and 
0.0536 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
Zn1 Zn 0.0000 0.0000 0.0000 0.0283(2) Uani 1 2 d S . P
Zn2 Zn -0.00643(6) -0.34679(6) -0.15131(5) 0.03499(19) Uani 1 1 d . . .
V1 V -0.55594(8) -1.00978(8) -0.62456(7) 0.0285(2) Uani 1 1 d . . .
V2 V -0.28016(8) -1.05782(9) -0.57942(8) 0.0322(2) Uani 1 1 d . . .
V3 V -0.69296(8) -1.21713(9) -0.55556(7) 0.0326(2) Uani 1 1 d . . .
V4 V -0.57608(10) -0.73765(9) -0.48106(8) 0.0390(3) Uani 1 1 d . . .
V5 V -0.52682(9) -1.28110(9) -0.75272(8) 0.0401(3) Uani 1 1 d . . .
O1 O -0.4902(3) -1.1182(3) -0.5571(3) 0.0266(8) Uani 1 1 d . . .
O2 O -0.3691(3) -0.9420(3) -0.6053(3) 0.0297(8) Uani 1 1 d . . .
O3 O -0.7166(3) -1.0756(3) -0.5834(3) 0.0305(8) Uani 1 1 d . . .
O4 O -0.5304(3) -0.6386(3) -0.3216(3) 0.0414(9) Uani 1 1 d . . .
O5 O -0.5794(3) -1.1375(4) -0.7614(3) 0.0368(9) Uani 1 1 d . . .
O6 O -0.6932(3) -1.3126(3) -0.7110(3) 0.0383(9) Uani 1 1 d . . .
O7 O -0.6007(3) -1.2949(4) -0.5045(3) 0.0403(9) Uani 1 1 d . . .
O8 O -0.3561(3) -1.1855(4) -0.7329(3) 0.0380(9) Uani 1 1 d . . .
O9 O -0.6027(3) -0.8988(3) -0.6442(3) 0.0361(9) Uani 1 1 d . . .
O10 O -0.2642(3) -1.1671(3) -0.5272(3) 0.0369(9) Uani 1 1 d . . .
O11 O -0.1359(3) -0.9998(4) -0.5907(3) 0.0457(10) Uani 1 1 d . . .
O12 O -0.8399(4) -1.2711(4) -0.5427(3) 0.0480(10) Uani 1 1 d . . .
O13 O -0.5587(4) -1.3884(4) -0.8891(3) 0.0583(12) Uani 1 1 d . . .
O14 O -0.6260(4) -0.6494(4) -0.5227(4) 0.0515(11) Uani 1 1 d . . .
C1 C -0.2936(5) -0.1647(6) -0.1474(5) 0.0428(14) Uani 1 1 d . . .
H1A H -0.3218 -0.0931 -0.1229 0.051 Uiso 1 1 calc R U .
C2 C -0.2913(5) -0.3588(6) -0.2333(5) 0.0429(14) Uani 1 1 d . . .
H2A H -0.3179 -0.4470 -0.2791 0.051 Uiso 1 1 calc R U .
C3 C 0.1998(5) -0.2146(6) -0.2480(5) 0.0400(13) Uani 1 1 d . . .
H3A H 0.2185 -0.2894 -0.2959 0.048 Uiso 1 1 calc R U .
C4 C 0.2014(5) -0.0203(5) -0.1624(4) 0.0369(13) Uani 1 1 d . . .
H4A H 0.2215 0.0655 -0.1399 0.044 Uiso 1 1 calc R U .
C5 C 0.0835(5) -0.0540(5) 0.2034(4) 0.0372(13) Uani 1 1 d . . .
H5A H 0.0909 0.0284 0.2611 0.045 Uiso 1 1 calc R U .
C6 C 0.0918(5) -0.2466(5) 0.1162(5) 0.0394(14) Uani 1 1 d . . .
H6A H 0.1062 -0.3225 0.1027 0.047 Uiso 1 1 calc R U .
C7 C 0.1190(11) -0.5648(11) -0.2557(9) 0.115(4) Uani 1 1 d . . .
H7A H 0.0450 -0.6245 -0.3120 0.138 Uiso 1 1 calc R U .
C8 C 0.3239(11) -0.4674(11) -0.1536(10) 0.118(4) Uani 1 1 d D U .
H8A H 0.4128 -0.4489 -0.1279 0.142 Uiso 1 1 calc R U .
N1 N -0.1746(4) -0.1629(4) -0.1158(4) 0.0321(10) Uani 1 1 d . . .
N2 N -0.1727(4) -0.2886(4) -0.1722(4) 0.0340(10) Uani 1 1 d . . .
N3 N -0.3688(4) -0.2849(5) -0.2202(4) 0.0450(12) Uani 1 1 d . . .
H3B H -0.4501 -0.3095 -0.2519 0.054 Uiso 1 1 calc R U .
N4 N 0.2523(4) -0.1031(4) -0.2421(4) 0.0383(11) Uani 1 1 d . . .
H4B H 0.3074 -0.0874 -0.2813 0.046 Uiso 1 1 calc R U .
N5 N 0.1198(4) -0.0763(4) -0.1206(4) 0.0337(10) Uani 1 1 d . . .
N6 N 0.1174(4) -0.2039(4) -0.1763(4) 0.0325(10) Uani 1 1 d . . .
N7 N 0.1137(4) -0.1421(4) 0.2232(4) 0.0391(11) Uani 1 1 d . . .
H7B H 0.1413 -0.1339 0.2900 0.047 Uiso 1 1 calc R U .
N8 N 0.0472(4) -0.2252(4) 0.0346(3) 0.0302(10) Uani 1 1 d . . .
N9 N 0.0420(4) -0.1009(4) 0.0906(3) 0.0314(10) Uani 1 1 d . . .
N10 N 0.2380(10) -0.5833(10) -0.2409(8) 0.128(4) Uani 1 1 d D . .
H10A H 0.2563 -0.6535 -0.2786 0.153 Uiso 1 1 calc R U .
N11 N 0.1280(7) -0.4451(6) -0.1743(6) 0.0686(17) Uani 1 1 d . U .
N12 N 0.2498(9) -0.3868(8) -0.1138(7) 0.104(3) Uani 1 1 d D U .
O1W O -0.0647(6) -0.4538(5) -0.3528(5) 0.0967(19) Uani 1 1 d D . .
H1WA H -0.028(6) -0.504(2) -0.342(7) 0.145 Uiso 1 1 d D U .
H1WB H -0.118(7) -0.507(2) -0.419(4) 0.145 Uiso 1 1 d D U .
O2W O -0.1325(4) -0.4796(3) -0.1101(3) 0.0492(11) Uani 1 1 d D . .
H2WA H -0.1133 -0.5200 -0.1757 0.074 Uiso 1 1 d DR U .
H2WB H -0.1957 -0.5262 -0.1010 0.074 Uiso 1 1 d DR U .
O3W O 0.0711(5) 0.2486(6) 0.4222(5) 0.108(2) Uani 1 1 d D U .
H3WA H 0.0956 0.2162 0.4610 0.162 Uiso 1 1 d DR U .
H3WB H 0.0865 0.3292 0.4595 0.162 Uiso 1 1 d DR U .
O4W O 0.4061(8) 0.9076(8) 0.0308(6) 0.170(4) Uani 1 1 d D . .
H4WA H 0.4402 0.9246 0.1031 0.255 Uiso 1 1 d DR U .
H4WB H 0.3790 0.8328 0.0301 0.255 Uiso 1 1 d DR U .
O5W O 0.6220(3) 0.3936(4) 0.3576(3) 0.0469(10) Uani 1 1 d D . .
H5WA H 0.6163 0.3600 0.4006 0.070 Uiso 1 1 d DR U .
H5WB H 0.6092 0.4656 0.3902 0.070 Uiso 1 1 d DR U .
O6W O -0.2913(6) -0.3277(6) 0.0405(5) 0.124(3) Uani 1 1 d D U .
H6WA H -0.2088 -0.3198 0.0513 0.186 Uiso 1 1 d DR U .
H6WB H -0.3165 -0.4055 -0.0159 0.186 Uiso 1 1 d DR U .
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
N5 Zn1 N5 180.0 . 2
N5 Zn1 N9 91.23(17) . .
N5 Zn1 N9 88.77(17) 2 .
N5 Zn1 N9 88.77(17) . 2
N5 Zn1 N9 91.23(17) 2 2
N9 Zn1 N9 180.0 . 2
N5 Zn1 N1 91.55(18) . .
N5 Zn1 N1 88.45(18) 2 .
N9 Zn1 N1 90.25(17) . .
N9 Zn1 N1 89.75(17) 2 .
N5 Zn1 N1 88.45(18) . 2
N5 Zn1 N1 91.54(18) 2 2
N9 Zn1 N1 89.75(17) . 2
N9 Zn1 N1 90.25(17) 2 2
N1 Zn1 N1 180.0 . 2
N11 Zn2 N2 164.5(2) . .
N11 Zn2 N6 93.2(2) . .
N2 Zn2 N6 92.05(18) . .
N11 Zn2 N8 99.6(2) . .
N2 Zn2 N8 94.94(16) . .
N6 Zn2 N8 90.87(17) . .
N11 Zn2 O2W 89.2(2) . .
N2 Zn2 O2W 86.74(17) . .
N6 Zn2 O2W 174.89(15) . .
N8 Zn2 O2W 84.30(17) . .
N11 Zn2 O1W 85.7(2) . .
N2 Zn2 O1W 80.38(19) . .
N6 Zn2 O1W 83.3(2) . .
N8 Zn2 O1W 172.33(18) . .
O2W Zn2 O1W 101.40(19) . .
N11 Zn2 H2WA 76.4 . .
N2 Zn2 H2WA 94.6 . .
N6 Zn2 H2WA 162.4 . .
N8 Zn2 H2WA 104.8 . .
O2W Zn2 H2WA 22.7 . .
O1W Zn2 H2WA 81.8 . .
O9 V1 O5 106.16(19) . .
O9 V1 O2 98.38(17) . .
O5 V1 O2 96.13(16) . .
O9 V1 O3 96.94(17) . .
O5 V1 O3 97.30(17) . .
O2 V1 O3 155.92(13) . .
O9 V1 O1 88.37(16) . 2_434
O5 V1 O1 165.47(15) . 2_434
O2 V1 O1 81.17(13) . 2_434
O3 V1 O1 80.82(14) . 2_434
O9 V1 O1 166.57(15) . .
O5 V1 O1 87.25(18) . .
O2 V1 O1 80.60(14) . .
O3 V1 O1 80.19(15) . .
O1 V1 O1 78.23(17) 2_434 .
O9 V1 V4 39.70(13) . .
O5 V1 V4 145.86(12) . .
O2 V1 V4 90.54(12) . .
O3 V1 V4 89.47(12) . .
O1 V1 V4 48.67(9) 2_434 .
O1 V1 V4 126.89(12) . .
O9 V1 V5 144.22(13) . .
O5 V1 V5 38.06(12) . .
O2 V1 V5 88.32(12) . .
O3 V1 V5 90.03(12) . .
O1 V1 V5 127.41(9) 2_434 .
O1 V1 V5 49.20(12) . .
V4 V1 V5 176.07(3) . .
O11 V2 O10 104.93(18) . .
O11 V2 O8 102.03(19) . .
O10 V2 O8 94.66(19) . .
O11 V2 O3 100.90(18) . 2_434
O10 V2 O3 91.01(18) . 2_434
O8 V2 O3 154.05(15) . 2_434
O11 V2 O2 99.05(19) . .
O10 V2 O2 154.30(15) . .
O8 V2 O2 89.18(17) . .
O3 V2 O2 75.33(15) 2_434 .
O11 V2 O1 173.30(17) . .
O10 V2 O1 80.66(14) . .
O8 V2 O1 80.95(15) . .
O3 V2 O1 75.02(13) 2_434 .
O2 V2 O1 74.87(14) . .
O12 V3 O6 104.84(19) . .
O12 V3 O7 102.9(2) . .
O6 V3 O7 96.24(18) . .
O12 V3 O3 99.17(18) . .
O6 V3 O3 89.54(17) . .
O7 V3 O3 154.91(16) . .
O12 V3 O2 97.96(18) . 2_434
O6 V3 O2 154.44(16) . 2_434
O7 V3 O2 89.71(18) . 2_434
O3 V3 O2 75.39(16) . 2_434
O12 V3 O1 172.88(18) . .
O6 V3 O1 80.79(14) . .
O7 V3 O1 80.57(16) . .
O3 V3 O1 76.28(14) . .
O2 V3 O1 75.69(14) 2_434 .
O14 V4 O4 103.7(2) . .
O14 V4 O10 100.7(2) . 2_434
O4 V4 O10 91.64(17) . 2_434
O14 V4 O7 102.2(2) . 2_434
O4 V4 O7 91.98(17) . 2_434
O10 V4 O7 155.19(16) 2_434 2_434
O14 V4 O9 99.5(2) . .
O4 V4 O9 156.80(15) . .
O10 V4 O9 84.07(16) 2_434 .
O7 V4 O9 82.99(16) 2_434 .
O14 V4 O1 173.64(18) . 2_434
O4 V4 O1 82.63(16) . 2_434
O10 V4 O1 78.71(15) 2_434 2_434
O7 V4 O1 77.43(14) 2_434 2_434
O9 V4 O1 74.17(15) . 2_434
O14 V4 V5 137.25(16) . 2_434
O4 V4 V5 33.55(13) . 2_434
O10 V4 V5 84.00(12) 2_434 2_434
O7 V4 V5 85.55(12) 2_434 2_434
O9 V4 V5 123.26(13) . 2_434
O1 V4 V5 49.11(8) 2_434 2_434
O14 V4 V1 130.72(18) . .
O4 V4 V1 125.55(12) . .
O10 V4 V1 79.79(14) 2_434 .
O7 V4 V1 78.15(12) 2_434 .
O9 V4 V1 31.25(9) . .
O1 V4 V1 42.92(11) 2_434 .
V5 V4 V1 92.02(7) 2_434 .
O13 V5 O4 102.6(2) . 2_434
O13 V5 O8 101.9(2) . .
O4 V5 O8 91.72(18) 2_434 .
O13 V5 O6 102.0(2) . .
O4 V5 O6 89.98(17) 2_434 .
O8 V5 O6 155.03(16) . .
O13 V5 O5 101.7(2) . .
O4 V5 O5 155.65(15) 2_434 .
O8 V5 O5 85.22(18) . .
O6 V5 O5 83.06(16) . .
O13 V5 O1 176.06(18) . .
O4 V5 O1 81.08(17) 2_434 .
O8 V5 O1 79.29(14) . .
O6 V5 O1 76.38(14) . .
O5 V5 O1 74.61(14) . .
O13 V5 V4 135.43(18) . 2_434
O4 V5 V4 32.86(12) 2_434 2_434
O8 V5 V4 84.48(12) . 2_434
O6 V5 V4 83.53(12) . 2_434
O5 V5 V4 122.86(10) . 2_434
O1 V5 V4 48.24(11) . 2_434
O13 V5 V1 132.66(16) . .
O4 V5 V1 124.73(14) 2_434 .
O8 V5 V1 80.43(14) . .
O6 V5 V1 78.18(12) . .
O5 V5 V1 30.97(11) . .
O1 V5 V1 43.65(8) . .
V4 V5 V1 91.89(6) 2_434 .
V1 O1 V1 101.77(17) 2_434 .
V1 O1 V3 93.83(13) 2_434 .
V1 O1 V3 93.68(14) . .
V1 O1 V2 93.59(12) 2_434 .
V1 O1 V2 93.41(13) . .
V3 O1 V2 168.48(17) . .
V1 O1 V4 88.41(13) 2_434 2_434
V1 O1 V4 169.79(16) . 2_434
V3 O1 V4 86.30(13) . 2_434
V2 O1 V4 85.12(12) . 2_434
V1 O1 V5 171.00(16) 2_434 .
V1 O1 V5 87.15(14) . .
V3 O1 V5 86.70(12) . .
V2 O1 V5 84.60(11) . .
V4 O1 V5 82.65(14) 2_434 .
V1 O2 V3 106.36(16) . 2_434
V1 O2 V2 108.50(17) . .
V3 O2 V2 100.55(16) 2_434 .
V1 O3 V2 107.49(17) . 2_434
V1 O3 V3 106.99(16) . .
V2 O3 V3 101.58(17) 2_434 .
V4 O4 V5 113.6(2) . 2_434
V1 O5 V5 110.97(18) . .
V3 O6 V5 115.02(18) . .
V3 O7 V4 114.22(19) . 2_434
V2 O8 V5 114.21(18) . .
V1 O9 V4 109.05(18) . .
V2 O10 V4 114.44(19) . 2_434
N1 C1 N3 110.3(5) . .
N1 C1 H1A 124.9 . .
N3 C1 H1A 124.9 . .
N2 C2 N3 110.3(5) . .
N2 C2 H2A 124.9 . .
N3 C2 H2A 124.9 . .
N6 C3 N4 110.6(5) . .
N6 C3 H3A 124.7 . .
N4 C3 H3A 124.7 . .
N5 C4 N4 111.0(5) . .
N5 C4 H4A 124.5 . .
N4 C4 H4A 124.5 . .
N9 C5 N7 110.3(5) . .
N9 C5 H5A 124.9 . .
N7 C5 H5A 124.9 . .
N8 C6 N7 110.1(5) . .
N8 C6 H6A 125.0 . .
N7 C6 H6A 125.0 . .
N11 C7 N10 108.0(10) . .
N11 C7 H7A 126.0 . .
N10 C7 H7A 126.0 . .
N12 C8 N10 105.4(9) . .
N12 C8 H8A 127.3 . .
N10 C8 H8A 127.3 . .
C1 N1 N2 106.8(4) . .
C1 N1 Zn1 130.1(4) . .
N2 N1 Zn1 123.0(3) . .
C2 N2 N1 106.6(4) . .
C2 N2 Zn2 129.0(4) . .
N1 N2 Zn2 124.3(3) . .
C1 N3 C2 106.0(5) . .
C1 N3 H3B 127.0 . .
C2 N3 H3B 127.0 . .
C3 N4 C4 105.8(5) . .
C3 N4 H4B 127.1 . .
C4 N4 H4B 127.1 . .
C4 N5 N6 106.6(4) . .
C4 N5 Zn1 129.0(4) . .
N6 N5 Zn1 124.3(3) . .
C3 N6 N5 106.0(4) . .
C3 N6 Zn2 129.6(4) . .
N5 N6 Zn2 124.3(3) . .
C5 N7 C6 105.8(4) . .
C5 N7 H7B 127.1 . .
C6 N7 H7B 127.1 . .
C6 N8 N9 106.9(4) . .
C6 N8 Zn2 129.9(4) . .
N9 N8 Zn2 123.2(3) . .
C5 N9 N8 107.0(4) . .
C5 N9 Zn1 128.1(4) . .
N8 N9 Zn1 124.4(3) . .
C7 N10 C8 107.4(9) . .
C7 N10 H10A 126.3 . .
C8 N10 H10A 126.3 . .
N12 N11 C7 108.7(7) . .
N12 N11 Zn2 121.0(6) . .
C7 N11 Zn2 129.8(7) . .
N11 N12 C8 110.3(9) . .
Zn2 O1W H1WA 80(5) . .
Zn2 O1W H1WB 153(6) . .
H1WA O1W H1WB 100(3) . .
Zn2 O2W H2WA 70.1 . .
Zn2 O2W H2WB 165.8 . .
H2WA O2W H2WB 110.9 . .
H3WA O3W H3WB 116.1 . .
H4WA O4W H4WB 74.7 . .
H5WA O5W H5WB 112.3 . .
H6WA O6W H6WB 96.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N5 2.133(5) .
Zn1 N5 2.133(5) 2
Zn1 N9 2.193(4) .
Zn1 N9 2.193(4) 2
Zn1 N1 2.217(5) .
Zn1 N1 2.217(5) 2
Zn2 N11 2.059(6) .
Zn2 N2 2.130(5) .
Zn2 N6 2.135(5) .
Zn2 N8 2.138(5) .
Zn2 O2W 2.184(4) .
Zn2 O1W 2.303(6) .
Zn2 H2WA 2.0559 .
V1 O9 1.696(4) .
V1 O5 1.710(4) .
V1 O2 1.940(4) .
V1 O3 1.961(4) .
V1 O1 2.105(4) 2_434
V1 O1 2.145(3) .
V1 V4 3.090(4) .
V1 V5 3.103(4) .
V2 O11 1.603(4) .
V2 O10 1.824(4) .
V2 O8 1.859(4) .
V2 O3 2.021(4) 2_434
V2 O2 2.044(4) .
V2 O1 2.297(4) .
V3 O12 1.623(4) .
V3 O6 1.828(4) .
V3 O7 1.829(4) .
V3 O3 2.028(4) .
V3 O2 2.035(4) 2_434
V3 O1 2.250(4) .
V4 O14 1.612(4) .
V4 O4 1.827(4) .
V4 O10 1.890(4) 2_434
V4 O7 1.895(4) 2_434
V4 O9 2.088(4) .
V4 O1 2.321(4) 2_434
V4 V5 3.086(4) 2_434
V5 O13 1.612(4) .
V5 O4 1.861(4) 2_434
V5 O8 1.868(4) .
V5 O6 1.919(4) .
V5 O5 2.049(4) .
V5 O1 2.352(4) .
V5 V4 3.086(4) 2_434
O1 V1 2.105(4) 2_434
O1 V4 2.321(4) 2_434
O2 V3 2.035(4) 2_434
O3 V2 2.021(4) 2_434
O4 V5 1.861(4) 2_434
O7 V4 1.894(4) 2_434
O10 V4 1.890(4) 2_434
C1 N1 1.311(7) .
C1 N3 1.343(7) .
C1 H1A 0.9300 .
C2 N2 1.312(6) .
C2 N3 1.345(7) .
C2 H2A 0.9300 .
C3 N6 1.326(6) .
C3 N4 1.335(7) .
C3 H3A 0.9300 .
C4 N5 1.305(6) .
C4 N4 1.344(7) .
C4 H4A 0.9300 .
C5 N9 1.314(6) .
C5 N7 1.342(6) .
C5 H5A 0.9300 .
C6 N8 1.310(6) .
C6 N7 1.356(7) .
C6 H6A 0.9300 .
C7 N11 1.346(11) .
C7 N10 1.371(11) .
C7 H7A 0.9300 .
C8 N12 1.365(10) .
C8 N10 1.394(11) .
C8 H8A 0.9300 .
N1 N2 1.392(6) .
N3 H3B 0.8600 .
N4 H4B 0.8600 .
N5 N6 1.399(6) .
N7 H7B 0.8600 .
N8 N9 1.388(6) .
N10 H10A 0.8600 .
N11 N12 1.324(9) .
O1W H1WA 0.862(10) .
O1W H1WB 0.860(10) .
O2W H2WA 0.8437 .
O2W H2WB 0.8405 .
O3W H3WA 0.8475 .
O3W H3WB 0.8535 .
O4W H4WA 0.9030 .
O4W H4WB 0.9044 .
O5W H5WA 0.8455 .
O5W H5WB 0.8453 .
O6W H6WA 0.8651 .
O6W H6WB 0.8619 .
