#------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/23/87/2238730.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2238730
loop_
_publ_author_name
'Toumi, Sirine'
'Toumi, Samah Akriche'
'Rzaigui, Mohamed'
_publ_section_title
;
 Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate
;
_journal_coeditor_code           HB7146
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m595
_journal_page_last               m596
_journal_paper_doi               10.1107/S1600536813027347
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C9 H8 N)4 [Te2 V8 O28], 8H2 O'
_chemical_formula_moiety         '4(C9 H8 N +), O28 Te2 V8 4-, 8(H2 O)'
_chemical_formula_sum            'C36 H48 N4 O36 Te2 V8'
_chemical_formula_weight         1775.50
_chemical_name_systematic
;
Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate
;
_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                106.45(4)
_cell_angle_beta                 107.71(4)
_cell_angle_gamma                105.34(4)
_cell_formula_units_Z            1
_cell_length_a                   10.907(3)
_cell_length_b                   11.302(3)
_cell_length_c                   13.169(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9
_cell_volume                     1369.5(10)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1996)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Putz,
2005)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_sigmaI/netI    0.1243
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            16455
_diffrn_reflns_theta_full        27.98
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         2.33
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  0.7250
_exptl_absorpt_correction_T_min  0.5613
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(Alcock, 1970)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.113
_refine_diff_density_min         -2.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         13245
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.2169
_refine_ls_R_factor_gt           0.1150
_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)+(0.0978P)²+22.5177P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2635
_refine_ls_wR_factor_ref         0.3079
_reflns_number_gt                6549
_reflns_number_total             13245
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hb7146.cif
_cod_data_source_block           I
_cod_original_cell_volume        1369.4(6)
_cod_database_code               2238730
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Te Te1 0.16225(7) 0.58886(7) 0.58253(6) 0.03140(18) Uani d U 1 1
V V1 0.05217(14) 0.27420(12) 0.49481(12) 0.0177(2) Uani d . 1 1
V V2 0.03656(13) 0.57033(13) 0.32457(11) 0.0166(2) Uani d . 1 1
V V3 0.23652(14) 0.42319(14) 0.39532(13) 0.0213(3) Uani d . 1 1
V V4 0.07774(16) 0.74944(13) 0.76322(12) 0.0215(3) Uani d . 1 1
O O1 0.1649(8) 0.8702(7) 0.8882(6) 0.0356(16) Uani d . 1 1
O O2 -0.0552(6) 0.1678(5) 0.3401(5) 0.0198(10) Uani d . 1 1
O O3 0.2094(6) 0.3145(6) 0.4763(5) 0.0209(11) Uani d . 1 1
O O4 0.1186(7) 0.6932(7) 0.4925(6) 0.03140(18) Uani d U 1 1
O O5 0.0293(7) 0.6753(6) 0.2649(6) 0.0261(12) Uani d . 1 1
O O6 -0.0685(6) 0.4051(5) 0.2031(5) 0.0209(11) Uani d . 1 1
O O7 0.0538(8) 0.1673(6) 0.5536(6) 0.0289(14) Uani d . 1 1
O O8 0.1039(6) 0.2887(5) 0.2588(5) 0.0208(11) Uani d . 1 1
O O9 0.3794(7) 0.4249(7) 0.3844(7) 0.0322(14) Uani d . 1 1
O O10 -0.0326(7) 0.5676(7) 0.5778(6) 0.03140(18) Uani d U 1 1
O O11 0.3065(6) 0.5744(6) 0.5518(5) 0.0233(11) Uani d . 1 1
O O12 0.1318(7) 0.4462(7) 0.6351(6) 0.03140(18) Uani d U 1 1
O O13 0.2328(6) 0.7205(6) 0.7204(5) 0.0215(11) Uani d . 1 1
O O14 0.1984(6) 0.5518(6) 0.3384(5) 0.0203(10) Uani d . 1 1
O O1W 0.0759(8) 0.0847(6) 0.7344(6) 0.0335(15) Uani d D 1 1
H H1W1 0.067(3) 0.118(3) 0.683(2) 0.040 Uiso d D 1 1
H H2W1 0.0671 0.0039 0.7102 0.040 Uiso d D 1 1
O O2W 1.1818(11) 0.1180(8) 1.1089(9) 0.060(3) Uani d D 1 1
H H1W2 1.176(13) 0.185(2) 1.154(12) 0.072 Uiso d D 1 1
H H2W2 1.1280 0.0421 1.0989 0.072 Uiso d D 1 1
O O3W 0.9613(14) 0.3830(8) 1.0059(9) 0.065(3) Uani d D 1 1
H H1W3 0.947(18) 0.401(9) 1.068(8) 0.078 Uiso d D 1 1
H H2W3 0.9696 0.3095 0.9801 0.078 Uiso d D 1 1
O O4W 0.9969(13) 0.1478(11) 0.9221(9) 0.067(3) Uani d D 1 1
H H1W4 1.0634(19) 0.121(3) 0.936(5) 0.081 Uiso d D 1 1
H H2W4 0.947(3) 0.1236(17) 0.8506(12) 0.081 Uiso d D 1 1
N N1 0.3469(8) 0.2174(8) 0.8833(7) 0.0351(18) Uani d . 1 1
H H1 0.2632 0.1746 0.8307 0.042 Uiso calc RD 1 1
N N2 0.4422(8) 0.7675(7) 0.4207(8) 0.0297(16) Uani d . 1 1
H H2 0.3644 0.7027 0.3982 0.036 Uiso calc R 1 1
C C1 0.4842(14) 0.4522(13) 0.7670(11) 0.046(3) Uani d . 1 1
H H1A 0.4551 0.4753 0.7040 0.056 Uiso calc R 1 1
C C2 0.6262(15) 0.5203(13) 0.8545(13) 0.049(3) Uani d . 1 1
H H2A 0.6894 0.5873 0.8470 0.059 Uiso calc R 1 1
C C3 0.6670(12) 0.4882(11) 0.9452(13) 0.047(3) Uani d . 1 1
H H3 0.7581 0.5342 1.0011 0.056 Uiso calc R 1 1
C C4 0.5747(10) 0.3857(10) 0.9581(9) 0.0305(18) Uani d . 1 1
C C5 0.6157(12) 0.3427(12) 1.0502(11) 0.047(3) Uani d . 1 1
H H5 0.7075 0.3808 1.1049 0.056 Uiso calc R 1 1
C C6 0.5166(14) 0.2435(13) 1.0568(11) 0.047(3) Uani d . 1 1
H H6 0.5410 0.2175 1.1186 0.056 Uiso calc R 1 1
C C7 0.3861(11) 0.1844(11) 0.9754(10) 0.039(2) Uani d . 1 1
H H7 0.3207 0.1189 0.9825 0.046 Uiso calc R 1 1
C C8 0.3937(12) 0.3527(12) 0.7797(10) 0.040(2) Uani d . 1 1
H H8 0.3017 0.3089 0.7251 0.048 Uiso calc R 1 1
C C9 0.4371(9) 0.3171(9) 0.8717(8) 0.0274(17) Uani d . 1 1
C C10 0.5429(11) 0.7920(10) 0.5154(10) 0.036(2) Uani d . 1 1
H H10 0.5287 0.7373 0.5553 0.043 Uiso calc R 1 1
C C11 0.6672(12) 0.8923(12) 0.5600(12) 0.048(3) Uani d . 1 1
H H11 0.7361 0.9090 0.6306 0.057 Uiso calc R 1 1
C C12 0.6909(11) 0.9708(11) 0.4981(12) 0.043(3) Uani d . 1 1
H H12 0.7776 1.0383 0.5247 0.052 Uiso calc R 1 1
C C13 0.5836(10) 0.9467(8) 0.3967(11) 0.038(2) Uani d . 1 1
C C14 0.5994(13) 1.0189(12) 0.3266(13) 0.049(3) Uani d . 1 1
H H14 0.6845 1.0867 0.3490 0.059 Uiso calc R 1 1
C C15 0.4871(19) 0.9884(14) 0.2232(16) 0.063(4) Uani d . 1 1
H H15 0.4970 1.0390 0.1793 0.076 Uiso calc R 1 1
C C16 0.3654(17) 0.8868(15) 0.1870(15) 0.066(4) Uani d . 1 1
H H16 0.2949 0.8661 0.1159 0.080 Uiso calc R 1 1
C C17 0.3395(11) 0.8109(10) 0.2506(11) 0.038(2) Uani d . 1 1
H H17 0.2524 0.7452 0.2267 0.046 Uiso calc R 1 1
C C18 0.4533(9) 0.8398(8) 0.3537(9) 0.0289(18) Uani d . 1 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0015 0.0009 '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 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.9710 1.0960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.2276 0.3376 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 -2 7
-5 -3 6
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O13 Te1 O11 . . 106.2(3)
O13 Te1 O12 . . 96.4(3)
O11 Te1 O12 . . 96.9(3)
O13 Te1 O4 . . 96.4(3)
O11 Te1 O4 . . 96.4(3)
O12 Te1 O4 . . 158.2(3)
O13 Te1 O10 . . 88.1(3)
O11 Te1 O10 . . 165.7(3)
O12 Te1 O10 . . 81.5(3)
O4 Te1 O10 . . 81.3(3)
O13 Te1 O10 . 2_566 165.8(3)
O11 Te1 O10 . 2_566 88.0(3)
O12 Te1 O10 . 2_566 81.8(3)
O4 Te1 O10 . 2_566 81.4(3)
O10 Te1 O10 . 2_566 77.7(3)
O13 Te1 V4 . . 37.73(19)
O11 Te1 V4 . . 143.9(2)
O12 Te1 V4 . . 90.4(2)
O4 Te1 V4 . . 89.0(2)
O10 Te1 V4 . . 50.4(2)
O10 Te1 V4 2_566 . 128.1(2)
O13 Te1 V3 . . 144.19(19)
O11 Te1 V3 . . 38.0(2)
O12 Te1 V3 . . 89.5(2)
O4 Te1 V3 . . 90.3(2)
O10 Te1 V3 . . 127.7(2)
O10 Te1 V3 2_566 . 50.0(2)
V4 Te1 V3 . . 178.06(5)
O13 Te1 V1 . . 133.8(2)
O11 Te1 V1 . . 84.6(2)
O12 Te1 V1 . . 37.4(2)
O4 Te1 V1 . . 127.5(2)
O10 Te1 V1 . . 85.7(2)
O10 Te1 V1 2_566 . 46.1(2)
V4 Te1 V1 . . 119.73(6)
V3 Te1 V1 . . 59.45(5)
O13 Te1 V2 . . 133.6(2)
O11 Te1 V2 . . 84.3(2)
O12 Te1 V2 . . 127.7(2)
O4 Te1 V2 . . 37.1(2)
O10 Te1 V2 . . 85.5(2)
O10 Te1 V2 2_566 . 45.95(19)
V4 Te1 V2 . . 118.35(5)
V3 Te1 V2 . . 60.30(5)
V1 Te1 V2 . . 91.45(7)
O13 Te1 Te1 . 2_566 127.3(2)
O11 Te1 Te1 . 2_566 126.5(2)
O12 Te1 Te1 . 2_566 79.3(2)
O4 Te1 Te1 . 2_566 78.9(2)
O10 Te1 Te1 . 2_566 39.14(19)
O10 Te1 Te1 2_566 2_566 38.5(2)
V4 Te1 Te1 . 2_566 89.55(6)
V3 Te1 Te1 . 2_566 88.53(6)
V1 Te1 Te1 . 2_566 60.25(6)
V2 Te1 Te1 . 2_566 60.03(5)
O7 V1 O3 . . 105.3(3)
O7 V1 O2 . . 102.9(3)
O3 V1 O2 . . 93.8(3)
O7 V1 O12 . . 101.4(3)
O3 V1 O12 . . 91.1(3)
O2 V1 O12 . . 152.9(3)
O7 V1 O4 . 2_566 99.3(3)
O3 V1 O4 . 2_566 154.0(3)
O2 V1 O4 . 2_566 88.6(3)
O12 V1 O4 . 2_566 75.9(3)
O7 V1 O10 . 2_566 172.9(3)
O3 V1 O10 . 2_566 81.1(3)
O2 V1 O10 . 2_566 79.5(2)
O12 V1 O10 . 2_566 75.0(3)
O4 V1 O10 2_566 2_566 74.0(3)
O7 V1 V2 . 2_566 89.7(2)
O3 V1 V2 . 2_566 131.4(2)
O2 V1 V2 . 2_566 128.1(2)
O12 V1 V2 . 2_566 40.4(2)
O4 V1 V2 2_566 2_566 39.5(2)
O10 V1 V2 2_566 2_566 83.69(19)
O7 V1 V3 . . 137.1(3)
O3 V1 V3 . . 32.04(18)
O2 V1 V3 . . 82.40(18)
O12 V1 V3 . . 87.9(2)
O4 V1 V3 2_566 . 123.5(2)
O10 V1 V3 2_566 . 49.57(18)
V2 V1 V3 2_566 . 120.78(6)
O7 V1 Te1 . . 136.4(2)
O3 V1 Te1 . . 77.3(2)
O2 V1 Te1 . . 120.50(18)
O12 V1 Te1 . . 35.4(2)
O4 V1 Te1 2_566 . 79.20(19)
O10 V1 Te1 2_566 . 41.10(17)
V2 V1 Te1 2_566 . 61.43(5)
V3 V1 Te1 . . 59.39(5)
O5 V2 O14 . . 105.6(3)
O5 V2 O6 . . 104.4(3)
O14 V2 O6 . . 93.3(3)
O5 V2 O4 . . 100.4(3)
O14 V2 O4 . . 91.4(3)
O6 V2 O4 . . 152.5(3)
O5 V2 O12 . 2_566 100.0(3)
O14 V2 O12 . 2_566 153.2(3)
O6 V2 O12 . 2_566 88.1(3)
O4 V2 O12 . 2_566 76.0(3)
O5 V2 O10 . 2_566 172.8(3)
O14 V2 O10 . 2_566 80.5(2)
O6 V2 O10 . 2_566 78.9(2)
O4 V2 O10 . 2_566 75.1(3)
O12 V2 O10 2_566 2_566 73.5(3)
O5 V2 V1 . 2_566 89.4(3)
O14 V2 V1 . 2_566 131.6(2)
O6 V2 V1 . 2_566 127.8(2)
O4 V2 V1 . 2_566 40.3(2)
O12 V2 V1 2_566 2_566 39.7(2)
O10 V2 V1 2_566 2_566 83.49(19)
O5 V2 Te1 . . 135.7(3)
O14 V2 Te1 . . 77.17(19)
O6 V2 Te1 . . 119.75(19)
O4 V2 Te1 . . 35.8(2)
O12 V2 Te1 2_566 . 78.9(2)
O10 V2 Te1 2_566 . 40.88(18)
V1 V2 Te1 2_566 . 61.38(5)
O9 V3 O8 . . 102.9(3)
O9 V3 O3 . . 103.6(3)
O8 V3 O3 . . 91.2(3)
O9 V3 O14 . . 103.5(3)
O8 V3 O14 . . 90.2(2)
O3 V3 O14 . . 151.8(3)
O9 V3 O11 . . 101.9(3)
O8 V3 O11 . . 155.2(3)
O3 V3 O11 . . 84.1(3)
O14 V3 O11 . . 83.0(3)
O9 V3 O10 . 2_566 176.5(3)
O8 V3 O10 . 2_566 80.6(3)
O3 V3 O10 . 2_566 76.5(2)
O14 V3 O10 . 2_566 76.0(2)
O11 V3 O10 . 2_566 74.7(2)
O9 V3 Te1 . . 134.5(3)
O8 V3 Te1 . . 122.6(2)
O3 V3 Te1 . . 77.75(19)
O14 V3 Te1 . . 77.87(18)
O11 V3 Te1 . . 32.64(17)
O10 V3 Te1 2_566 . 42.03(17)
O9 V3 V1 . . 133.6(3)
O8 V3 V1 . . 81.44(19)
O3 V3 V1 . . 30.14(18)
O14 V3 V1 . . 122.84(18)
O11 V3 V1 . . 82.33(18)
O10 V3 V1 2_566 . 46.83(17)
Te1 V3 V1 . . 61.17(5)
O9 V3 V4 . 2_566 134.2(3)
O8 V3 V4 . 2_566 31.3(2)
O3 V3 V4 . 2_566 83.04(19)
O14 V3 V4 . 2_566 83.61(18)
O11 V3 V4 . 2_566 123.93(18)
O10 V3 V4 2_566 2_566 49.27(17)
Te1 V3 V4 . 2_566 91.29(7)
V1 V3 V4 . 2_566 61.01(5)
O1 V4 O8 . 2_566 104.6(3)
O1 V4 O2 . 2_566 104.4(3)
O8 V4 O2 2_566 2_566 89.8(3)
O1 V4 O6 . 2_566 103.4(3)
O8 V4 O6 2_566 2_566 88.9(3)
O2 V4 O6 2_566 2_566 151.5(3)
O1 V4 O13 . . 100.9(3)
O8 V4 O13 2_566 . 154.4(3)
O2 V4 O13 2_566 . 85.6(3)
O6 V4 O13 2_566 . 83.4(3)
O1 V4 O10 . . 174.8(4)
O8 V4 O10 2_566 . 80.5(3)
O2 V4 O10 2_566 . 76.5(2)
O6 V4 O10 2_566 . 75.3(2)
O13 V4 O10 . . 74.0(2)
O1 V4 Te1 . . 133.3(3)
O8 V4 Te1 2_566 . 122.0(2)
O2 V4 Te1 2_566 . 78.91(19)
O6 V4 Te1 2_566 . 77.73(19)
O13 V4 Te1 . . 32.45(17)
O10 V4 Te1 . . 41.54(17)
O1 V4 V3 . 2_566 136.0(3)
O8 V4 V3 2_566 2_566 31.41(18)
O2 V4 V3 2_566 2_566 81.97(19)
O6 V4 V3 2_566 2_566 82.23(18)
O13 V4 V3 . 2_566 123.07(18)
O10 V4 V3 . 2_566 49.08(18)
Te1 V4 V3 . 2_566 90.62(7)
V1 O2 V4 . 2_566 117.8(3)
V1 O3 V3 . . 117.8(3)
Te1 O4 V2 . . 107.1(3)
Te1 O4 V1 . 2_566 107.2(3)
V2 O4 V1 . 2_566 100.2(3)
V2 O6 V4 . 2_566 117.7(3)
V4 O8 V3 2_566 . 117.3(3)
Te1 O10 Te1 . 2_566 102.3(3)
Te1 O10 V1 . 2_566 95.2(3)
Te1 O10 V1 2_566 2_566 92.8(3)
Te1 O10 V2 . 2_566 94.9(3)
Te1 O10 V2 2_566 2_566 93.2(3)
V1 O10 V2 2_566 2_566 167.0(4)
Te1 O10 V3 . 2_566 169.7(4)
Te1 O10 V3 2_566 2_566 88.0(2)
V1 O10 V3 2_566 2_566 83.6(2)
V2 O10 V3 2_566 2_566 85.1(2)
Te1 O10 V4 . . 88.0(2)
Te1 O10 V4 2_566 . 169.6(4)
V1 O10 V4 2_566 . 85.2(2)
V2 O10 V4 2_566 . 86.9(2)
V3 O10 V4 2_566 . 81.7(2)
Te1 O11 V3 . . 109.4(3)
Te1 O12 V1 . . 107.1(3)
Te1 O12 V2 . 2_566 107.8(3)
V1 O12 V2 . 2_566 99.9(3)
Te1 O13 V4 . . 109.8(3)
V2 O14 V3 . . 117.5(3)
H1W1 O1W H2W1 . . 115(3)
H1W2 O2W H2W2 . . 115(3)
H1W3 O3W H2W3 . . 117(3)
H1W4 O4W H2W4 . . 115(3)
C7 N1 C9 . . 121.5(8)
C7 N1 H1 . . 119.2
C9 N1 H1 . . 119.2
C10 N2 C18 . . 123.0(8)
C10 N2 H2 . . 118.5
C18 N2 H2 . . 118.5
C8 C1 C2 . . 118.3(11)
C8 C1 H1A . . 120.9
C2 C1 H1A . . 120.9
C3 C2 C1 . . 120.7(11)
C3 C2 H2A . . 119.6
C1 C2 H2A . . 119.6
C2 C3 C4 . . 121.1(11)
C2 C3 H3 . . 119.4
C4 C3 H3 . . 119.4
C3 C4 C9 . . 118.3(10)
C3 C4 C5 . . 123.2(10)
C9 C4 C5 . . 118.5(9)
C6 C5 C4 . . 118.8(10)
C6 C5 H5 . . 120.6
C4 C5 H5 . . 120.6
C7 C6 C5 . . 120.7(11)
C7 C6 H6 . . 119.6
C5 C6 H6 . . 119.6
C6 C7 N1 . . 121.6(10)
C6 C7 H7 . . 119.2
N1 C7 H7 . . 119.2
C9 C8 C1 . . 120.9(11)
C9 C8 H8 . . 119.6
C1 C8 H8 . . 119.6
N1 C9 C8 . . 120.7(9)
N1 C9 C4 . . 118.7(8)
C8 C9 C4 . . 120.6(9)
N2 C10 C11 . . 123.5(11)
N2 C10 H10 . . 118.2
C11 C10 H10 . . 118.2
C10 C11 C12 . . 118.4(12)
C10 C11 H11 . . 120.8
C12 C11 H11 . . 120.8
C13 C12 C11 . . 118.9(10)
C13 C12 H12 . . 120.6
C11 C12 H12 . . 120.6
C12 C13 C14 . . 122.8(9)
C12 C13 C18 . . 120.4(10)
C14 C13 C18 . . 116.7(11)
C15 C14 C13 . . 120.2(10)
C15 C14 H14 . . 119.9
C13 C14 H14 . . 119.9
C16 C15 C14 . . 120.6(13)
C16 C15 H15 . . 119.7
C14 C15 H15 . . 119.7
C15 C16 C17 . . 123.3(14)
C15 C16 H16 . . 118.3
C17 C16 H16 . . 118.3
C16 C17 C18 . . 116.1(10)
C16 C17 H17 . . 122.0
C18 C17 H17 . . 122.0
N2 C18 C17 . . 121.4(8)
N2 C18 C13 . . 115.7(10)
C17 C18 C13 . . 122.9(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Te1 O13 . 1.765(6)
Te1 O11 . 1.775(6)
Te1 O12 . 1.918(7)
Te1 O4 . 1.941(7)
Te1 O10 . 2.054(7)
Te1 O10 2_566 2.080(7)
Te1 V4 . 3.095(2)
Te1 V3 . 3.105(2)
Te1 V1 . 3.161(2)
Te1 V2 . 3.1740(18)
Te1 Te1 2_566 3.220(3)
V1 O7 . 1.610(6)
V1 O3 . 1.764(6)
V1 O2 . 1.840(6)
V1 O12 . 2.010(7)
V1 O4 2_566 2.037(7)
V1 O10 2_566 2.281(7)
V1 V2 2_566 3.101(2)
V1 V3 . 3.107(2)
V2 O5 . 1.603(6)
V2 O14 . 1.793(6)
V2 O6 . 1.849(6)
V2 O4 . 2.005(7)
V2 O12 2_566 2.039(7)
V2 O10 2_566 2.285(7)
V2 V1 2_566 3.101(2)
V3 O9 . 1.604(7)
V3 O8 . 1.828(6)
V3 O3 . 1.864(6)
V3 O14 . 1.895(6)
V3 O11 . 2.027(7)
V3 O10 2_566 2.380(7)
V3 V4 2_566 3.117(3)
V4 O1 . 1.602(7)
V4 O8 2_566 1.822(6)
V4 O2 2_566 1.851(6)
V4 O6 2_566 1.905(6)
V4 O13 . 2.013(6)
V4 O10 . 2.387(7)
V4 V3 2_566 3.117(3)
O2 V4 2_566 1.851(6)
O4 V1 2_566 2.037(7)
O6 V4 2_566 1.905(6)
O8 V4 2_566 1.822(6)
O10 Te1 2_566 2.080(7)
O10 V1 2_566 2.281(7)
O10 V2 2_566 2.285(7)
O10 V3 2_566 2.380(7)
O12 V2 2_566 2.039(7)
O1W H1W1 . 0.853(10)
O1W H2W1 . 0.845(5)
O2W H1W2 . 0.849(10)
O2W H2W2 . 0.849(7)
O3W H1W3 . 0.850(10)
O3W H2W3 . 0.844(7)
O4W H1W4 . 0.850(10)
O4W H2W4 . 0.849(10)
N1 C7 . 1.348(13)
N1 C9 . 1.366(11)
N1 H1 . 0.8600
N2 C10 . 1.283(14)
N2 C18 . 1.372(12)
N2 H2 . 0.8600
C1 C8 . 1.373(17)
C1 C2 . 1.45(2)
C1 H1A . 0.9300
C2 C3 . 1.328(19)
C2 H2A . 0.9300
C3 C4 . 1.408(15)
C3 H3 . 0.9300
C4 C9 . 1.412(13)
C4 C5 . 1.423(15)
C5 C6 . 1.380(17)
C5 H5 . 0.9300
C6 C7 . 1.336(16)
C6 H6 . 0.9300
C7 H7 . 0.9300
C8 C9 . 1.372(14)
C8 H8 . 0.9300
C10 C11 . 1.339(16)
C10 H10 . 0.9300
C11 C12 . 1.390(19)
C11 H11 . 0.9300
C12 C13 . 1.379(18)
C12 H12 . 0.9300
C13 C14 . 1.413(17)
C13 C18 . 1.420(12)
C14 C15 . 1.40(2)
C14 H14 . 0.9300
C15 C16 . 1.34(2)
C15 H15 . 0.9300
C16 C17 . 1.39(2)
C16 H16 . 0.9300
C17 C18 . 1.414(16)
C17 H17 . 0.9300
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H2W1 O2 2_556 0.845(5) 1.819(5) 2.663(8) 177.8(6)
O1W H1W1 O7 . 0.853(10) 1.919(18) 2.762(9) 170(4)
O2W H1W2 O8 1_656 0.849(10) 2.03(2) 2.842(10) 159(4)
O2W H2W2 O4W 2_757 0.849(7) 2.104(12) 2.952(14) 177.3(9)
O3W H2W3 O4W . 0.844(7) 1.910(11) 2.754(14) 177.3(9)
O3W H1W3 O6 1_656 0.850(10) 1.83(2) 2.665(11) 166(6)
O4W H2W4 O1W 1_655 0.849(10) 2.41(3) 2.826(12) 111(3)
O4W H1W4 O2W . 0.850(10) 2.26(5) 2.836(17) 125(5)
N1 H1 O1W . 0.86 1.85 2.700(11) 172
N2 H2 O14 . 0.86 1.88 2.740(9) 175
C5 H5 O6 1_656 0.93 2.29 3.180(13) 160
C6 H6 O13 2_667 0.93 2.48 3.178(14) 132
C7 H7 O1 1_545 0.93 2.56 3.350(13) 143
C7 H7 O2W 1_455 0.93 2.57 3.296(14) 135
C10 H10 O9 2_666 0.93 2.51 3.275(13) 140
C14 H14 O4 2_676 0.93 2.58 3.403(14) 148
C17 H17 O5 . 0.93 2.60 3.411(13) 146
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
C8 C1 C2 C3 -0.8(19)
C1 C2 C3 C4 1.2(19)
C2 C3 C4 C9 0.2(17)
C2 C3 C4 C5 176.4(12)
C3 C4 C5 C6 178.5(12)
C9 C4 C5 C6 -5.3(18)
C4 C5 C6 C7 3(2)
C5 C6 C7 N1 1(2)
C9 N1 C7 C6 -3.1(18)
C2 C1 C8 C9 -1.1(19)
C7 N1 C9 C8 -177.4(11)
C7 N1 C9 C4 0.7(16)
C1 C8 C9 N1 -179.5(11)
C1 C8 C9 C4 2.5(17)
C3 C4 C9 N1 179.9(10)
C5 C4 C9 N1 3.5(15)
C3 C4 C9 C8 -2.0(15)
C5 C4 C9 C8 -178.4(11)
C18 N2 C10 C11 1.8(17)
N2 C10 C11 C12 -2.8(18)
C10 C11 C12 C13 3.2(18)
C11 C12 C13 C14 -178.1(12)
C11 C12 C13 C18 -2.8(17)
C12 C13 C14 C15 178.9(12)
C18 C13 C14 C15 3.4(18)
C13 C14 C15 C16 -3(2)
C14 C15 C16 C17 4(2)
C15 C16 C17 C18 -5(2)
C10 N2 C18 C17 -179.1(10)
C10 N2 C18 C13 -1.1(14)
C16 C17 C18 N2 -176.9(10)
C16 C17 C18 C13 5.2(16)
C12 C13 C18 N2 1.7(14)
C14 C13 C18 N2 177.3(10)
C12 C13 C18 C17 179.7(10)
C14 C13 C18 C17 -4.7(15)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139086122
