#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/00/01/8000159.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_8000159
loop_
_publ_author_name
'Li, Taohai'
'Lü, Jian'
'Gao, Shuiying'
'Li, Feng'
'Cao, Rong'
_publ_section_title
;
 Inorganic--Organic Hybrid with 3D Supramolecular Channel Assembled
 through C--H···O Interactions Based on the
 Decavanadate
;
_journal_issue                   3
_journal_name_full               'Chemistry Letters'
_journal_page_first              356
_journal_paper_doi               10.1246/cl.2007.356
_journal_volume                  36
_journal_year                    2007
_chemical_formula_sum            'C25 H22 Cu N5 O14.5 V5'
_chemical_formula_weight         942.72
_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                94.7710(10)
_cell_angle_beta                 109.52
_cell_angle_gamma                102.9230(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0057(5)
_cell_length_b                   13.0461(6)
_cell_length_c                   13.0849(6)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0770
_cell_volume                     1545.74(13)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8082
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        100
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.206
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.627
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.025
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.264
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         5394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.264
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0643
_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)+(0.0267P)²+10.5532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                4749
_reflns_number_total             5394
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            36-356sup1.cif
_cod_data_source_block           a
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_cell_volume        1545.72(13)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C25 H22 Cu N5 O14.50 V5'
_cod_database_code               8000159
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
Cu1 Cu 0.03333(9) 0.22679(7) 0.29714(7) 0.0273(2) Uani 1 1 d .
V1 V 0.26391(11) 0.64336(9) 0.10810(9) 0.0234(3) Uani 1 1 d .
O1 O 0.3624(5) 0.7617(4) 0.1216(4) 0.0382(12) Uani 1 1 d .
N1 N -0.1150(6) 0.0783(4) 0.2479(5) 0.0326(14) Uani 1 1 d .
C1 C -0.2992(11) -0.1239(8) 0.1559(9) 0.068(3) Uani 1 1 d .
H1 H -0.3618 -0.1916 0.1238 0.081 Uiso 1 1 calc R
V2 V -0.00946(12) 0.30556(8) 0.05548(9) 0.0228(3) Uani 1 1 d .
O2 O 0.3887(5) 0.5604(4) 0.0752(4) 0.0280(10) Uani 1 1 d .
N2 N -0.0989(6) 0.3016(4) 0.3363(4) 0.0250(12) Uani 1 1 d .
C2 C -0.3405(10) -0.0521(7) 0.2148(9) 0.064(3) Uani 1 1 d .
H2 H -0.4302 -0.0710 0.2245 0.077 Uiso 1 1 calc R
V3 V 0.30250(12) 0.40168(9) 0.05910(9) 0.0264(3) Uani 1 1 d .
O3 O 0.3069(5) 0.6172(4) 0.2431(4) 0.0274(10) Uani 1 1 d .
N3 N 0.1499(6) 0.2741(4) 0.4656(5) 0.0292(13) Uani 1 1 d .
C3 C -0.2457(9) 0.0480(6) 0.2587(8) 0.048(2) Uani 1 1 d .
H3 H -0.2737 0.0968 0.2976 0.057 Uiso 1 1 calc R
V4 V 0.05012(11) 0.46705(8) -0.10348(9) 0.0211(2) Uani 1 1 d .
O4 O -0.0770(4) 0.3321(3) -0.0977(3) 0.0218(9) Uani 1 1 d .
N4 N 0.1507(6) 0.1448(4) 0.2479(5) 0.0295(13) Uani 1 1 d .
C4 C -0.0741(9) 0.0072(6) 0.1939(6) 0.0359(17) Uani 1 1 d .
V5 V 0.22467(12) 0.47459(9) 0.25545(9) 0.0248(3) Uani 1 1 d .
O5 O -0.1071(5) 0.1877(4) 0.0435(4) 0.0333(11) Uani 1 1 d .
N5 N -0.3344(10) -0.0230(7) 0.4918(8) 0.068(2) Uani 1 1 d .
C5 C -0.1654(11) -0.0941(7) 0.1457(8) 0.055(2) Uani 1 1 d .
H5 H -0.1357 -0.1415 0.1066 0.066 Uiso 1 1 calc R
O6 O 0.0851(5) 0.3394(3) 0.2069(4) 0.0248(10) Uani 1 1 d .
C6 C 0.0763(8) 0.0441(6) 0.1935(6) 0.0326(16) Uani 1 1 d .
O7 O 0.1595(5) 0.2829(3) 0.0362(4) 0.0255(10) Uani 1 1 d .
C7 C 0.1413(11) -0.0161(7) 0.1438(8) 0.061(3) Uani 1 1 d .
H7 H 0.0899 -0.0853 0.1070 0.073 Uiso 1 1 calc R
O8 O 0.3546(5) 0.4253(4) 0.2090(4) 0.0275(10) Uani 1 1 d .
C8 C 0.2829(11) 0.0262(8) 0.1487(9) 0.062(3) Uani 1 1 d .
H8 H 0.3263 -0.0140 0.1140 0.075 Uiso 1 1 calc R
O9 O 0.4343(5) 0.3602(4) 0.0402(4) 0.0364(12) Uani 1 1 d .
C9 C 0.3587(10) 0.1259(7) 0.2037(8) 0.056(2) Uani 1 1 d .
H9 H 0.4552 0.1544 0.2090 0.067 Uiso 1 1 calc R
O10 O 0.1951(5) 0.4201(4) -0.0980(4) 0.0278(10) Uani 1 1 d .
C10 C 0.2893(9) 0.1849(6) 0.2522(7) 0.0433(19) Uani 1 1 d .
H10 H 0.3400 0.2542 0.2888 0.052 Uiso 1 1 calc R
O11 O 0.1170(4) 0.4744(3) 0.0685(3) 0.0204(9) Uani 1 1 d .
C11 C 0.2814(8) 0.2635(6) 0.5252(6) 0.0372(17) Uani 1 1 d .
H11 H 0.3304 0.2293 0.4900 0.045 Uiso 1 1 calc R
O12 O 0.1507(5) 0.6150(3) -0.0575(3) 0.0230(9) Uani 1 1 d .
C12 C 0.3474(8) 0.3007(7) 0.6356(7) 0.046(2) Uani 1 1 d .
H12 H 0.4394 0.2918 0.6745 0.055 Uiso 1 1 calc R
O13 O -0.0425(5) 0.4705(4) -0.2374(3) 0.0255(10) Uani 1 1 d .
C13 C 0.2771(9) 0.3510(7) 0.6884(6) 0.045(2) Uani 1 1 d .
H13 H 0.3210 0.3771 0.7636 0.054 Uiso 1 1 calc R
O14 O 0.2876(5) 0.4773(4) 0.3847(4) 0.0362(12) Uani 1 1 d .
C14 C 0.1404(8) 0.3629(7) 0.6294(6) 0.0405(18) Uani 1 1 d .
H14 H 0.0899 0.3960 0.6641 0.049 Uiso 1 1 calc R
C15 C 0.0800(7) 0.3246(5) 0.5174(5) 0.0264(14) Uani 1 1 d .
C16 C -0.0628(8) 0.3365(5) 0.4449(6) 0.0279(15) Uani 1 1 d .
C17 C -0.1559(8) 0.3815(6) 0.4800(6) 0.0392(18) Uani 1 1 d .
H17 H -0.1320 0.4045 0.5546 0.047 Uiso 1 1 calc R
C18 C -0.2839(8) 0.3924(7) 0.4047(7) 0.0430(19) Uani 1 1 d .
H18 H -0.3475 0.4217 0.4281 0.052 Uiso 1 1 calc R
C19 C -0.3170(8) 0.3594(6) 0.2939(6) 0.0366(17) Uani 1 1 d .
H19 H -0.4021 0.3675 0.2418 0.044 Uiso 1 1 calc R
C20 C -0.2230(8) 0.3147(6) 0.2617(6) 0.0315(15) Uani 1 1 d .
H20 H -0.2448 0.2928 0.1871 0.038 Uiso 1 1 calc R
C21 C -0.1911(13) 0.0228(9) 0.5316(10) 0.074(3) Uani 1 1 d .
H21 H -0.1307 -0.0111 0.5092 0.089 Uiso 1 1 calc R
C22 C -0.1267(13) 0.1170(8) 0.6037(9) 0.070(3) Uani 1 1 d .
H22 H -0.0252 0.1456 0.6298 0.084 Uiso 1 1 calc R
C23 C -0.2121(13) 0.1676(9) 0.6360(9) 0.077(3) Uani 1 1 d .
H23 H -0.1707 0.2323 0.6845 0.092 Uiso 1 1 calc R
C24 C -0.3622(12) 0.1227(8) 0.5965(9) 0.066(3) Uani 1 1 d .
H24 H -0.4239 0.1562 0.6179 0.079 Uiso 1 1 calc R
C25 C -0.4188(10) 0.0262(7) 0.5240(8) 0.050(2) Uani 1 1 d .
O1W O -0.424(3) 0.118(2) 0.051(2) 0.154(9) Uiso 0.50 1 d P
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'
Cu Cu 0.3201 1.2651 '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
N4 Cu1 N2 175.3(2) . .
N4 Cu1 O6 88.8(2) . .
N2 Cu1 O6 91.6(2) . .
N4 Cu1 N1 80.5(2) . .
N2 Cu1 N1 95.7(2) . .
O6 Cu1 N1 130.4(2) . .
N4 Cu1 N3 103.8(2) . .
N2 Cu1 N3 80.4(2) . .
O6 Cu1 N3 113.2(2) . .
N1 Cu1 N3 116.4(2) . .
O1 V1 O3 104.3(2) . .
O1 V1 O4 101.8(2) . 2_565
O3 V1 O4 94.3(2) . 2_565
O1 V1 O2 100.5(2) . .
O3 V1 O2 93.1(2) . .
O4 V1 O2 153.90(19) 2_565 .
O1 V1 O12 99.5(2) . .
O3 V1 O12 155.96(19) . .
O4 V1 O12 77.25(17) 2_565 .
O2 V1 O12 85.95(18) . .
O1 V1 O11 173.7(2) . .
O3 V1 O11 81.98(18) . .
O4 V1 O11 78.20(16) 2_565 .
O2 V1 O11 78.10(17) . .
O12 V1 O11 74.30(16) . .
O1 V1 V2 90.09(19) . 2_565
O3 V1 V2 135.25(16) . 2_565
O4 V1 V2 40.97(13) 2_565 2_565
O2 V1 V2 126.14(14) . 2_565
O12 V1 V2 40.21(12) . 2_565
O11 V1 V2 85.83(11) . 2_565
C4 N1 C3 118.3(6) . .
C4 N1 Cu1 113.3(5) . .
C3 N1 Cu1 128.3(5) . .
C5 C1 C2 119.1(8) . .
O5 V2 O6 100.5(2) . .
O5 V2 O7 103.0(2) . .
O6 V2 O7 92.0(2) . .
O5 V2 O12 99.8(2) . 2_565
O6 V2 O12 92.40(19) . 2_565
O7 V2 O12 155.54(19) . 2_565
O5 V2 O4 102.0(2) . .
O6 V2 O4 156.83(19) . .
O7 V2 O4 88.14(19) . .
O12 V2 O4 78.59(18) 2_565 .
O5 V2 O11 176.9(2) . .
O6 V2 O11 80.92(17) . .
O7 V2 O11 79.63(17) . .
O12 V2 O11 77.33(16) 2_565 .
O4 V2 O11 76.31(16) . .
O5 V2 V1 90.35(19) . 2_565
O6 V2 V1 135.22(14) . 2_565
O7 V2 V1 127.91(14) . 2_565
O12 V2 V1 42.82(13) 2_565 2_565
O4 V2 V1 39.78(12) . 2_565
O11 V2 V1 86.73(11) . 2_565
V1 O2 V3 112.3(2) . .
C16 N2 C20 120.1(6) . .
C16 N2 Cu1 116.2(4) . .
C20 N2 Cu1 123.6(5) . .
C3 C2 C1 118.3(8) . .
O9 V3 O7 104.5(2) . .
O9 V3 O8 104.1(2) . .
O7 V3 O8 94.9(2) . .
O9 V3 O2 99.0(2) . .
O7 V3 O2 155.43(19) . .
O8 V3 O2 86.1(2) . .
O9 V3 O10 98.9(2) . .
O7 V3 O10 87.8(2) . .
O8 V3 O10 155.3(2) . .
O2 V3 O10 81.53(19) . .
O9 V3 O11 172.4(2) . .
O7 V3 O11 79.87(17) . .
O8 V3 O11 81.54(17) . .
O2 V3 O11 76.00(16) . .
O10 V3 O11 74.82(16) . .
V1 O3 V5 115.2(2) . .
C11 N3 C15 118.1(6) . .
C11 N3 Cu1 128.7(5) . .
C15 N3 Cu1 113.1(4) . .
N1 C3 C2 122.9(8) . .
O10 V4 O13 107.5(2) . .
O10 V4 O12 98.3(2) . .
O13 V4 O12 98.1(2) . .
O10 V4 O4 96.2(2) . .
O13 V4 O4 96.3(2) . .
O12 V4 O4 155.39(18) . .
O10 V4 O11 87.71(19) . .
O13 V4 O11 164.67(19) . .
O12 V4 O11 80.78(17) . .
O4 V4 O11 80.09(17) . .
O10 V4 O11 166.05(19) . 2_565
O13 V4 O11 86.37(19) . 2_565
O12 V4 O11 80.34(17) . 2_565
O4 V4 O11 80.75(17) . 2_565
O11 V4 O11 78.36(18) . 2_565
O10 V4 V5 145.56(16) . 2_565
O13 V4 V5 38.03(15) . 2_565
O12 V4 V5 89.76(14) . 2_565
O4 V4 V5 89.35(13) . 2_565
O11 V4 V5 126.70(12) . 2_565
O11 V4 V5 48.34(11) 2_565 2_565
V1 O4 V4 107.4(2) 2_565 .
V1 O4 V2 99.25(19) 2_565 .
V4 O4 V2 108.10(19) . .
C10 N4 C6 118.9(6) . .
C10 N4 Cu1 125.3(5) . .
C6 N4 Cu1 115.3(5) . .
N1 C4 C5 121.8(7) . .
N1 C4 C6 114.8(6) . .
C5 C4 C6 123.4(7) . .
O14 V5 O8 103.3(2) . .
O14 V5 O6 101.2(2) . .
O8 V5 O6 91.9(2) . .
O14 V5 O3 102.4(2) . .
O8 V5 O3 92.1(2) . .
O6 V5 O3 154.4(2) . .
O14 V5 O13 101.1(2) . 2_565
O8 V5 O13 155.55(19) . 2_565
O6 V5 O13 83.44(18) . 2_565
O3 V5 O13 82.49(19) . 2_565
O14 V5 O11 175.5(2) . .
O8 V5 O11 81.18(17) . .
O6 V5 O11 78.06(17) . .
O3 V5 O11 77.62(17) . .
O13 V5 O11 74.37(16) 2_565 .
O14 V5 V4 131.71(19) . 2_565
O8 V5 V4 124.95(15) . 2_565
O6 V5 V4 78.69(14) . 2_565
O3 V5 V4 78.31(14) . 2_565
O13 V5 V4 30.60(12) 2_565 2_565
O11 V5 V4 43.77(10) . 2_565
C25 N5 C21 117.4(9) . .
C1 C5 C4 119.6(8) . .
V2 O6 V5 113.7(2) . .
V2 O6 Cu1 117.2(2) . .
V5 O6 Cu1 129.0(2) . .
N4 C6 C7 120.5(7) . .
N4 C6 C4 114.8(6) . .
C7 C6 C4 124.6(7) . .
V3 O7 V2 114.5(2) . .
C6 C7 C8 119.9(8) . .
V5 O8 V3 113.9(2) . .
C9 C8 C7 120.2(8) . .
C8 C9 C10 118.5(8) . .
V4 O10 V3 109.9(2) . .
N4 C10 C9 122.1(8) . .
V4 O11 V4 101.64(18) . 2_565
V4 O11 V2 93.86(16) . .
V4 O11 V2 90.71(15) 2_565 .
V4 O11 V1 94.34(16) . .
V4 O11 V1 90.19(15) 2_565 .
V2 O11 V1 171.4(2) . .
V4 O11 V3 87.48(15) . .
V4 O11 V3 170.3(2) 2_565 .
V2 O11 V3 85.26(15) . .
V1 O11 V3 92.50(15) . .
V4 O11 V5 170.4(2) . .
V4 O11 V5 87.89(14) 2_565 .
V2 O11 V5 86.81(15) . .
V1 O11 V5 84.67(14) . .
V3 O11 V5 83.06(14) . .
N3 C11 C12 122.8(7) . .
V4 O12 V2 108.8(2) . 2_565
V4 O12 V1 109.0(2) . .
V2 O12 V1 96.97(18) 2_565 .
C13 C12 C11 119.4(7) . .
V4 O13 V5 111.4(2) . 2_565
C12 C13 C14 119.4(7) . .
C13 C14 C15 118.5(7) . .
N3 C15 C14 121.8(6) . .
N3 C15 C16 114.8(6) . .
C14 C15 C16 123.4(6) . .
N2 C16 C17 119.9(6) . .
N2 C16 C15 115.1(6) . .
C17 C16 C15 125.0(6) . .
C18 C17 C16 120.2(7) . .
C17 C18 C19 119.3(7) . .
C20 C19 C18 119.2(7) . .
N2 C20 C19 121.3(7) . .
N5 C21 C22 123.9(11) . .
C23 C22 C21 118.9(11) . .
C22 C23 C24 119.2(10) . .
C23 C24 C25 118.2(10) . .
N5 C25 C24 122.3(9) . .
N5 C25 C25 116.5(10) . 2_456
C24 C25 C25 121.1(10) . 2_456
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 1.972(5) .
Cu1 N2 1.978(5) .
Cu1 O6 2.044(4) .
Cu1 N1 2.059(6) .
Cu1 N3 2.082(6) .
V1 O1 1.594(5) .
V1 O3 1.755(5) .
V1 O4 1.930(4) 2_565
V1 O2 1.950(5) .
V1 O12 2.038(4) .
V1 O11 2.267(4) .
V1 V2 2.9769(16) 2_565
N1 C4 1.334(9) .
N1 C3 1.337(9) .
C1 C5 1.363(13) .
C1 C2 1.381(14) .
V2 O5 1.590(5) .
V2 O6 1.852(4) .
V2 O7 1.872(4) .
V2 O12 1.936(4) 2_565
V2 O4 1.977(4) .
V2 O11 2.243(4) .
V2 V1 2.9769(16) 2_565
O2 V3 2.021(5) .
N2 C16 1.353(8) .
N2 C20 1.356(9) .
C2 C3 1.376(11) .
V3 O9 1.616(5) .
V3 O7 1.784(4) .
V3 O8 1.832(5) .
V3 O10 2.039(5) .
V3 O11 2.298(4) .
O3 V5 1.903(5) .
N3 C11 1.332(9) .
N3 C15 1.352(8) .
V4 O10 1.679(4) .
V4 O13 1.696(4) .
V4 O12 1.906(4) .
V4 O4 1.951(4) .
V4 O11 2.109(4) .
V4 O11 2.148(4) 2_565
V4 V5 3.1028(16) 2_565
O4 V1 1.930(4) 2_565
N4 C10 1.349(9) .
N4 C6 1.357(9) .
C4 C5 1.384(11) .
C4 C6 1.475(10) .
V5 O14 1.589(5) .
V5 O8 1.820(4) .
V5 O6 1.893(4) .
V5 O13 2.053(5) 2_565
V5 O11 2.320(4) .
V5 V4 3.1028(16) 2_565
N5 C25 1.319(11) .
N5 C21 1.323(14) .
C6 C7 1.375(11) .
C7 C8 1.379(13) .
C8 C9 1.350(13) .
C9 C10 1.390(11) .
O11 V4 2.148(4) 2_565
C11 C12 1.364(11) .
O12 V2 1.936(4) 2_565
C12 C13 1.363(11) .
O13 V5 2.053(4) 2_565
C13 C14 1.379(11) .
C14 C15 1.383(10) .
C15 C16 1.478(9) .
C16 C17 1.381(10) .
C17 C18 1.376(11) .
C18 C19 1.382(11) .
C19 C20 1.367(10) .
C21 C22 1.364(15) .
C22 C23 1.339(16) .
C23 C24 1.380(15) .
C24 C25 1.390(13) .
C25 C25 1.500(18) 2_456
