##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_data_validation_number     ?
_journal_date_recd_electronic     2005-01-05
_journal_date_accepted     2005-04-21
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      5
_journal_page_first     m978
_journal_page_last     m980
_journal_paper_category     EM
_publ_contact_author_name     'Prof. Shan Gao'
_publ_contact_author_address
;
School of Chemistry and Materials Science
Heilongjiang University
Harbin 150080
People's Republic of China
;
_publ_contact_author_email     shangao67@yahoo.com
_publ_contact_author_fax     '(86)451 8668 2541'
_publ_contact_author_phone     '(86)451 8660 8040'
_publ_section_title
;
{2-[(2-Hydroxyphenyl)iminomethyl]phenolato}(N-oxido-N--
phenylbenzamide)oxovanadium(V)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Shan Gao' .
;
School of Chemistry and Materials Science
Heilongjiang University
Harbin 150080
People's Republic of China
;
    'Li-Hua Huo' .
;
School of Chemistry and Materials Science
Heilongjiang University
Harbin 150080
People's Republic of China
;
    'Zhao-Peng Deng' .
;
School of Chemistry and Materials Science
Heilongjiang University
Harbin 150080
People's Republic of China
;
    'Hui Zhao' .
;
School of Chemistry and Materials Science
Heilongjiang University
Harbin 150080
People's Republic of China
;
data_I
_chemical_name_systematic
;
{2-[(2-Hydroxyphenyl)iminomethyl]phenolato}(N-oxido-N-
phenylbenzamide)oxovanadium(V)
;
_chemical_formula_moiety     'C26 H19 N2 O5 V'
_chemical_formula_sum     'C26 H19 N2 O5 V'
_chemical_formula_iupac     '[V (C13 H9 N O2) (C13 H10 N O2) O]'
_chemical_formula_weight     490.37
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.0795(18)
_cell_length_b     10.134(2)
_cell_length_c     12.624(3)
_cell_angle_alpha     104.84(3)
_cell_angle_beta     91.11(3)
_cell_angle_gamma     92.08(3)
_cell_volume     1121.6(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9503
_cell_measurement_theta_min     2.98
_cell_measurement_theta_max     27.46
_cell_measurement_temperature     296(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.38
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.18
_exptl_crystal_density_diffrn     1.452
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     504
_exptl_absorpt_coefficient_mu     0.484
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.837
_exptl_absorpt_correction_T_max     0.918
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku R-AXIS RAPID'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     10
_diffrn_reflns_number     11056
_diffrn_reflns_av_R_equivalents     0.0168
_diffrn_reflns_av_sigmaI/netI     0.0228
_diffrn_reflns_theta_min     2.98
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     27.47
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     5076
_reflns_number_gt     4098
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0564
_refine_ls_R_factor_gt     0.0456
_refine_ls_wR_factor_gt     0.1246
_refine_ls_wR_factor_ref     0.1313
_refine_ls_goodness_of_fit_ref     1.051
_refine_ls_restrained_S_all     1.051
_refine_ls_number_reflns     5076
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
          'w = 1/[σ²(Fo²)+(0.0777P)²+0.2634P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.793
_refine_diff_density_min     -0.207
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_cell_refinement     RAPID-AUTO
_computing_data_reduction     'CrystalStructure (Rigaku/MSC, 2002)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     SHELXL97
loop_
    _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_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    V1 0.16858(4) 0.56565(3) 0.30978(3) 0.04168(13) Uani d . 1 . . V
    N1 0.2455(2) 0.5306(2) 0.45664(15) 0.0496(4) Uani d . 1 . . N
    N2 0.28598(18) 0.66453(18) 0.14005(14) 0.0418(4) Uani d . 1 . . N
    O1 -0.00463(17) 0.55481(18) 0.32440(13) 0.0552(4) Uani d . 1 . . O
    O2 0.19691(19) 0.37817(15) 0.25512(12) 0.0532(4) Uani d . 1 . . O
    O3 0.2169(2) 0.74517(17) 0.39586(15) 0.0619(4) Uani d . 1 . . O
    O4 0.15782(15) 0.62172(16) 0.17924(12) 0.0473(3) Uani d . 1 . . O
    O5 0.39990(16) 0.58041(16) 0.26335(12) 0.0485(4) Uani d . 1 . . O
    C1 0.1614(2) 0.2777(2) 0.30036(17) 0.0441(4) Uani d . 1 . . C
    C2 0.1286(3) 0.1467(2) 0.2345(2) 0.0540(5) Uani d . 1 . . C
    C3 0.0984(3) 0.0415(3) 0.2814(2) 0.0650(7) Uani d . 1 . . C
    C4 0.0988(3) 0.0613(3) 0.3933(3) 0.0716(7) Uani d . 1 . . C
    C5 0.1322(3) 0.1878(3) 0.4596(2) 0.0654(7) Uani d . 1 . . C
    C6 0.1655(2) 0.2986(2) 0.41535(19) 0.0494(5) Uani d . 1 . . C
    C7 0.2221(3) 0.4234(3) 0.48754(19) 0.0549(5) Uani d . 1 . . C
    C8 0.3206(2) 0.6507(2) 0.5286(2) 0.0508(5) Uani d . 1 . . C
    C9 0.4075(3) 0.6600(3) 0.6213(2) 0.0630(6) Uani d . 1 . . C
    C10 0.4711(3) 0.7854(3) 0.6765(2) 0.0728(8) Uani d . 1 . . C
    C11 0.4469(3) 0.8998(3) 0.6381(3) 0.0761(8) Uani d . 1 . . C
    C12 0.3617(3) 0.8898(3) 0.5447(3) 0.0695(7) Uani d . 1 . . C
    C13 0.2988(2) 0.7638(2) 0.4890(2) 0.0534(5) Uani d . 1 . . C
    C14 0.2656(2) 0.7317(2) 0.05444(16) 0.0386(4) Uani d . 1 . . C
    C15 0.1952(2) 0.6604(2) -0.04313(18) 0.0505(5) Uani d . 1 . . C
    C16 0.1775(3) 0.7251(3) -0.1259(2) 0.0657(7) Uani d . 1 . . C
    C17 0.2287(3) 0.8571(3) -0.1121(2) 0.0668(7) Uani d . 1 . . C
    C18 0.2976(3) 0.9273(3) -0.0157(2) 0.0632(7) Uani d . 1 . . C
    C19 0.3164(3) 0.8648(2) 0.0695(2) 0.0510(5) Uani d . 1 . . C
    C20 0.4110(2) 0.6370(2) 0.18654(16) 0.0401(4) Uani d . 1 . . C
    C21 0.5563(2) 0.67443(19) 0.14937(17) 0.0393(4) Uani d . 1 . . C
    C22 0.5899(2) 0.6618(2) 0.04077(17) 0.0433(4) Uani d . 1 . . C
    C23 0.7306(3) 0.6947(2) 0.0134(2) 0.0518(5) Uani d . 1 . . C
    C24 0.8373(3) 0.7422(3) 0.0947(2) 0.0614(6) Uani d . 1 . . C
    C25 0.8060(3) 0.7541(3) 0.2021(2) 0.0650(7) Uani d . 1 . . C
    C26 0.6658(2) 0.7196(3) 0.23029(19) 0.0523(5) Uani d . 1 . . C
    H2 0.1271 0.1308 0.1585 0.065 Uiso calc R 1 . . H
    H3 0.0772 -0.0456 0.2365 0.078 Uiso calc R 1 . . H
    H4 0.0762 -0.0114 0.4235 0.086 Uiso calc R 1 . . H
    H5 0.1330 0.2011 0.5353 0.078 Uiso calc R 1 . . H
    H7 0.2425 0.4255 0.5605 0.066 Uiso calc R 1 . . H
    H9 0.4232 0.5828 0.6464 0.076 Uiso calc R 1 . . H
    H10 0.5300 0.7931 0.7391 0.087 Uiso calc R 1 . . H
    H11 0.4888 0.9842 0.6760 0.091 Uiso calc R 1 . . H
    H12 0.3465 0.9668 0.5193 0.083 Uiso calc R 1 . . H
    H15 0.1607 0.5705 -0.0525 0.061 Uiso calc R 1 . . H
    H16 0.1303 0.6786 -0.1916 0.079 Uiso calc R 1 . . H
    H17 0.2167 0.8996 -0.1687 0.080 Uiso calc R 1 . . H
    H18 0.3319 1.0171 -0.0070 0.076 Uiso calc R 1 . . H
    H19 0.3626 0.9123 0.1353 0.061 Uiso calc R 1 . . H
    H22 0.5174 0.6310 -0.0140 0.052 Uiso calc R 1 . . H
    H23 0.7532 0.6849 -0.0597 0.062 Uiso calc R 1 . . H
    H24 0.9314 0.7663 0.0764 0.074 Uiso calc R 1 . . H
    H25 0.8789 0.7855 0.2564 0.078 Uiso calc R 1 . . H
    H26 0.6450 0.7266 0.3033 0.063 Uiso calc R 1 . . H
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    V1 N1 . 2.087(2) yes
    V1 O1 . 1.5901(16) yes
    V1 O2 . 1.8769(16) yes
    V1 O3 . 1.8958(18) yes
    V1 O4 . 1.8776(15) yes
    V1 O5 . 2.2016(16) yes
    N1 C7 . 1.257(3) yes
    N1 C8 . 1.457(3) yes
    N2 C20 . 1.338(3) yes
    O2 C1 . 1.322(2) yes
    O3 C13 . 1.347(3) yes
    O4 N2 . 1.372(2) yes
    O5 C20 . 1.250(2) yes
    N2 C14 . 1.430(2) yes
    C1 C2 . 1.393(3) no
    C1 C6 . 1.412(3) no
    C2 C3 . 1.369(3) no
    C2 H2 . 0.9300 no
    C3 C4 . 1.375(4) no
    C3 H3 . 0.9300 no
    C4 C5 . 1.360(4) no
    C4 H4 . 0.9300 no
    C5 C6 . 1.402(3) no
    C5 H5 . 0.9300 no
    C6 C7 . 1.428(3) no
    C7 H7 . 0.9300 no
    C8 C9 . 1.379(4) no
    C8 C13 . 1.382(3) no
    C9 C10 . 1.383(4) no
    C9 H9 . 0.9300 no
    C10 C11 . 1.389(5) no
    C10 H10 . 0.9300 no
    C11 C12 . 1.377(4) no
    C11 H11 . 0.9300 no
    C12 C13 . 1.386(3) no
    C12 H12 . 0.9300 no
    C14 C15 . 1.388(3) no
    C14 C19 . 1.375(3) no
    C15 C16 . 1.379(3) no
    C15 H15 . 0.9300 no
    C16 C17 . 1.367(4) no
    C16 H16 . 0.9300 no
    C17 C18 . 1.369(4) no
    C17 H17 . 0.9300 no
    C18 C19 . 1.391(3) no
    C18 H18 . 0.9300 no
    C19 H19 . 0.9300 no
    C20 C21 . 1.478(3) no
    C21 C22 . 1.385(3) no
    C21 C26 . 1.389(3) no
    C22 C23 . 1.381(3) no
    C22 H22 . 0.9300 no
    C23 C24 . 1.379(4) no
    C23 H23 . 0.9300 no
    C24 C25 . 1.366(4) no
    C24 H24 . 0.9300 no
    C25 C26 . 1.385(3) no
    C25 H25 . 0.9300 no
    C26 H26 . 0.9300 no
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
    _geom_angle_publ_flag
    N1 V1 O5 . . 88.02(7) yes
    O1 V1 N1 . . 100.62(8) yes
    O1 V1 O2 . . 97.36(9) yes
    O1 V1 O3 . . 101.64(9) yes
    O1 V1 O4 . . 95.85(8) yes
    O1 V1 O5 . . 171.21(7) yes
    O2 V1 N1 . . 83.17(8) yes
    O2 V1 O3 . . 155.16(8) yes
    O2 V1 O4 . . 101.03(7) yes
    O2 V1 O5 . . 81.98(7) yes
    O3 V1 N1 . . 77.75(8) yes
    O3 V1 O5 . . 81.61(8) yes
    O4 V1 N1 . . 162.36(7) yes
    O4 V1 O3 . . 92.85(8) yes
    O4 V1 O5 . . 75.75(6) yes
    N1 C7 C6 . . 122.7(2) no
    N1 C7 H7 . . 118.6 no
    N2 O4 V1 . . 118.19(11) no
    N2 C20 C21 . . 120.99(17) no
    O2 C1 C2 . . 120.0(2) no
    O2 C1 C6 . . 121.04(19) no
    O3 C13 C8 . . 117.4(2) no
    O3 C13 C12 . . 122.8(2) no
    O4 N2 C14 . . 114.62(15) no
    O5 C20 N2 . . 117.51(18) no
    O5 C20 C21 . . 121.49(17) no
    C1 O2 V1 . . 128.23(13) no
    C1 C2 H2 . . 120.0 no
    C1 C6 C7 . . 122.0(2) no
    C2 C1 C6 . . 118.8(2) no
    C2 C3 H3 . . 119.2 no
    C2 C3 C4 . . 121.6(2) no
    C3 C2 H2 . . 120.0 no
    C3 C2 C1 . . 120.0(2) no
    C3 C4 H4 . . 120.2 no
    C4 C3 H3 . . 119.2 no
    C4 C5 H5 . . 119.6 no
    C4 C5 C6 . . 120.9(2) no
    C5 C4 H4 . . 120.2 no
    C5 C4 C3 . . 119.6(3) no
    C5 C6 C1 . . 119.1(2) no
    C5 C6 C7 . . 118.3(2) no
    C6 C5 H5 . . 119.6 no
    C6 C7 H7 . . 118.6 no
    C7 N1 C8 . . 121.1(2) no
    C7 N1 V1 . . 125.90(18) no
    C8 N1 V1 . . 112.75(15) no
    C8 C9 H9 . . 120.4 no
    C8 C9 C10 . . 119.2(3) no
    C8 C13 C12 . . 119.7(2) no
    C9 C8 C13 . . 121.1(2) no
    C9 C8 N1 . . 128.9(2) no
    C9 C10 H10 . . 120.1 no
    C9 C10 C11 . . 119.8(3) no
    C10 C9 H9 . . 120.4 no
    C10 C11 H11 . . 119.6 no
    C11 C10 H10 . . 120.1 no
    C11 C12 H12 . . 120.4 no
    C11 C12 C13 . . 119.3(3) no
    C12 C11 H11 . . 119.6 no
    C12 C11 C10 . . 120.8(3) no
    C13 O3 V1 . . 119.84(15) no
    C13 C8 N1 . . 109.9(2) no
    C13 C12 H12 . . 120.4 no
    C14 C15 H15 . . 120.6 no
    C14 C19 C18 . . 118.7(2) no
    C14 C19 H19 . . 120.6 no
    C15 C14 N2 . . 119.12(18) no
    C15 C16 H16 . . 119.7 no
    C16 C15 C14 . . 118.9(2) no
    C16 C15 H15 . . 120.6 no
    C16 C17 C18 . . 120.5(2) no
    C16 C17 H17 . . 119.8 no
    C17 C16 C15 . . 120.5(2) no
    C17 C16 H16 . . 119.7 no
    C17 C18 C19 . . 120.3(2) no
    C17 C18 H18 . . 119.8 no
    C18 C17 H17 . . 119.8 no
    C18 C19 H19 . . 120.6 no
    C19 C14 N2 . . 119.77(19) no
    C19 C14 C15 . . 121.11(19) no
    C19 C18 H18 . . 119.8 no
    C20 N2 O4 . . 115.83(16) no
    C20 N2 C14 . . 129.55(17) no
    C20 O5 V1 . . 110.96(12) no
    C21 C22 H22 . . 119.8 no
    C21 C26 H26 . . 120.0 no
    C22 C21 C26 . . 119.31(19) no
    C22 C21 C20 . . 124.34(18) no
    C22 C23 H23 . . 120.1 no
    C23 C22 C21 . . 120.3(2) no
    C23 C22 H22 . . 119.8 no
    C23 C24 H24 . . 119.7 no
    C24 C23 C22 . . 119.8(2) no
    C24 C23 H23 . . 120.1 no
    C24 C25 C26 . . 120.2(2) no
    C24 C25 H25 . . 119.9 no
    C25 C24 C23 . . 120.5(2) no
    C25 C24 H24 . . 119.7 no
    C25 C26 C21 . . 119.9(2) no
    C25 C26 H26 . . 120.0 no
    C26 C21 C20 . . 116.28(18) no
    C26 C25 H25 . . 119.9 no
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 V1 O2 C1 . . . . -56.1(2) no
    O4 V1 O2 C1 . . . . -153.55(18) no
    O3 V1 O2 C1 . . . . 83.7(3) no
    N1 V1 O2 C1 . . . . 43.80(19) no
    O5 V1 O2 C1 . . . . 132.75(19) no
    O1 V1 O3 C13 . . . . 112.16(18) no
    O2 V1 O3 C13 . . . . -27.0(3) no
    O4 V1 O3 C13 . . . . -151.28(17) no
    N1 V1 O3 C13 . . . . 13.66(17) no
    O5 V1 O3 C13 . . . . -76.13(17) no
    O1 V1 O4 N2 . . . . 170.78(14) no
    O2 V1 O4 N2 . . . . -90.53(15) no
    O3 V1 O4 N2 . . . . 68.77(15) no
    N1 V1 O4 N2 . . . . 11.8(3) no
    O5 V1 O4 N2 . . . . -11.84(13) no
    O2 V1 O5 C20 . . . . 113.75(15) no
    O4 V1 O5 C20 . . . . 10.15(14) no
    O3 V1 O5 C20 . . . . -84.97(15) no
    N1 V1 O5 C20 . . . . -162.87(15) no
    O1 V1 N1 C7 . . . . 61.7(2) no
    O2 V1 N1 C7 . . . . -34.52(19) no
    O4 V1 N1 C7 . . . . -139.5(2) no
    O3 V1 N1 C7 . . . . 161.5(2) no
    O5 V1 N1 C7 . . . . -116.68(19) no
    O1 V1 N1 C8 . . . . -112.64(15) no
    O2 V1 N1 C8 . . . . 151.11(14) no
    O4 V1 N1 C8 . . . . 46.1(3) no
    O3 V1 N1 C8 . . . . -12.89(14) no
    O5 V1 N1 C8 . . . . 68.95(14) no
    V1 O4 N2 C20 . . . . 12.8(2) no
    V1 O4 N2 C14 . . . . -167.57(13) no
    V1 O2 C1 C2 . . . . 151.52(17) no
    V1 O2 C1 C6 . . . . -32.7(3) no
    O2 C1 C2 C3 . . . . 177.0(2) no
    C6 C1 C2 C3 . . . . 1.1(3) no
    C1 C2 C3 C4 . . . . 0.4(4) no
    C2 C3 C4 C5 . . . . -1.1(4) no
    C3 C4 C5 C6 . . . . 0.4(4) no
    C4 C5 C6 C1 . . . . 1.1(4) no
    C4 C5 C6 C7 . . . . -170.3(3) no
    O2 C1 C6 C5 . . . . -177.7(2) no
    C2 C1 C6 C5 . . . . -1.8(3) no
    O2 C1 C6 C7 . . . . -6.6(3) no
    C2 C1 C6 C7 . . . . 169.2(2) no
    C8 N1 C7 C6 . . . . -172.1(2) no
    V1 N1 C7 C6 . . . . 14.0(3) no
    C5 C6 C7 N1 . . . . -175.0(2) no
    C1 C6 C7 N1 . . . . 13.9(4) no
    C7 N1 C8 C9 . . . . 18.3(3) no
    V1 N1 C8 C9 . . . . -167.0(2) no
    C7 N1 C8 C13 . . . . -164.2(2) no
    V1 N1 C8 C13 . . . . 10.5(2) no
    C13 C8 C9 C10 . . . . 1.3(4) no
    N1 C8 C9 C10 . . . . 178.6(2) no
    C8 C9 C10 C11 . . . . 0.0(4) no
    C9 C10 C11 C12 . . . . -0.8(5) no
    C10 C11 C12 C13 . . . . 0.4(5) no
    V1 O3 C13 C8 . . . . -12.0(3) no
    V1 O3 C13 C12 . . . . 167.4(2) no
    C9 C8 C13 O3 . . . . 177.6(2) no
    N1 C8 C13 O3 . . . . -0.2(3) no
    C9 C8 C13 C12 . . . . -1.8(4) no
    N1 C8 C13 C12 . . . . -179.6(2) no
    C11 C12 C13 O3 . . . . -178.4(3) no
    C11 C12 C13 C8 . . . . 0.9(4) no
    C20 N2 C14 C19 . . . . -61.3(3) no
    O4 N2 C14 C19 . . . . 119.1(2) no
    C20 N2 C14 C15 . . . . 118.2(2) no
    O4 N2 C14 C15 . . . . -61.3(2) no
    C19 C14 C15 C16 . . . . 0.3(3) no
    N2 C14 C15 C16 . . . . -179.2(2) no
    C14 C15 C16 C17 . . . . 0.2(4) no
    C15 C16 C17 C18 . . . . -0.4(4) no
    C16 C17 C18 C19 . . . . 0.1(4) no
    C15 C14 C19 C18 . . . . -0.6(3) no
    N2 C14 C19 C18 . . . . 178.9(2) no
    C17 C18 C19 C14 . . . . 0.4(4) no
    V1 O5 C20 N2 . . . . -6.6(2) no
    V1 O5 C20 C21 . . . . 172.38(15) no
    O4 N2 C20 O5 . . . . -2.8(3) no
    C14 N2 C20 O5 . . . . 177.71(19) no
    O4 N2 C20 C21 . . . . 178.29(17) no
    C14 N2 C20 C21 . . . . -1.3(3) no
    O5 C20 C21 C22 . . . . 141.1(2) no
    N2 C20 C21 C22 . . . . -40.0(3) no
    O5 C20 C21 C26 . . . . -36.1(3) no
    N2 C20 C21 C26 . . . . 142.8(2) no
    C26 C21 C22 C23 . . . . -0.5(3) no
    C20 C21 C22 C23 . . . . -177.60(19) no
    C21 C22 C23 C24 . . . . -0.9(3) no
    C22 C23 C24 C25 . . . . 1.4(4) no
    C23 C24 C25 C26 . . . . -0.6(4) no
    C24 C25 C26 C21 . . . . -0.9(4) no
    C22 C21 C26 C25 . . . . 1.4(3) no
    C20 C21 C26 C25 . . . . 178.7(2) no
