#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/54/2225483.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_2225483
loop_
_publ_author_name
'Wong, Hon Wee'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 (4-Methylbenzohydrazidato-κ²N',O)[2-(4-methylbenzoylhydrazinylidene-κ²N,O)-3-phenylpropionato(2{-})]oxidovanadium(V)
 methanol monosolvate
;
_journal_coeditor_code           BT5227
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m481
_journal_paper_doi               10.1107/S1600536810011372
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[V (C8 H9 N2 O) (C17 H14 N2 O3) O], C H4 O'
_chemical_formula_moiety         'C25 H23 N4 O5 V, C H4 O'
_chemical_formula_sum            'C26 H27 N4 O6 V'
_chemical_formula_weight         542.46
_chemical_name_systematic
;
(4-Methylbenzohydrazidato-κ²N',O)[2-(4-
methylbenzoylhydrazinylidene-κ²N,O)-3-
phenylpropionato(2-)]oxidovanadium(V) methanol monosolvate
;
_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                95.769(2)
_cell_angle_beta                 96.708(2)
_cell_angle_gamma                109.675(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2770(2)
_cell_length_b                   11.2558(2)
_cell_length_c                   13.4691(3)
_cell_measurement_reflns_used    2688
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.6
_cell_measurement_theta_min      2.5
_cell_volume                     1300.48(5)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12503
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.429
_exptl_absorpt_correction_T_max  0.9191
_exptl_absorpt_correction_T_min  0.8644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5956
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0856P)²+0.2209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1445
_refine_ls_wR_factor_ref         0.1671
_reflns_number_gt                3843
_reflns_number_total             5956
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5227.cif
_cod_data_source_block           I
_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 2.4.1 from
2010-06-29.

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2225483
_cod_database_fobs_code          2225483
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_disorder_assembly
_atom_site_disorder_group
V V1 0.51795(6) 0.51791(5) 0.29034(4) 0.04766(18) Uani d . 1 . .
O O1 0.6537(2) 0.40109(19) 0.34261(14) 0.0526(5) Uani d . 1 . .
O O2 0.6733(2) 0.57531(19) 0.20087(15) 0.0542(5) Uani d . 1 . .
O O3 0.3375(2) 0.3810(2) 0.32493(15) 0.0557(5) Uani d . 1 . .
O O4 0.1695(3) 0.1820(2) 0.28159(19) 0.0734(7) Uani d . 1 . .
O O5 0.4366(3) 0.6198(2) 0.27738(17) 0.0633(6) Uani d . 1 . .
O O6 0.6859(6) 0.8379(3) 0.5277(3) 0.1379(14) Uani d DU 1 . .
H H6 0.7610 0.8725 0.5749 0.207 Uiso calc R 1 . .
N N1 0.7041(3) 0.5407(2) 0.47916(18) 0.0493(6) Uani d . 1 . .
H H1 0.7457 0.5723 0.5409 0.059 Uiso calc R 1 . .
N N2 0.6198(3) 0.5937(2) 0.42177(18) 0.0498(6) Uani d . 1 . .
H H2 0.6126 0.6646 0.4464 0.060 Uiso calc R 1 . .
N N3 0.5391(3) 0.3913(2) 0.08943(17) 0.0475(6) Uani d . 1 . .
N N4 0.4523(3) 0.3744(2) 0.16640(17) 0.0450(5) Uani d . 1 . .
C C1 0.7176(3) 0.4347(3) 0.4322(2) 0.0466(7) Uani d . 1 . .
C C2 0.8042(3) 0.3663(3) 0.4855(2) 0.0480(7) Uani d . 1 . .
C C3 0.8251(4) 0.2638(3) 0.4316(3) 0.0645(9) Uani d . 1 . .
H H3A 0.7844 0.2400 0.3632 0.077 Uiso calc R 1 . .
C C4 0.9055(5) 0.1970(4) 0.4783(3) 0.0740(10) Uani d . 1 . .
H H4 0.9209 0.1299 0.4402 0.089 Uiso calc R 1 . .
C C5 0.9646(4) 0.2264(3) 0.5806(3) 0.0578(8) Uani d . 1 . .
C C6 0.9450(4) 0.3295(3) 0.6338(3) 0.0631(9) Uani d . 1 . .
H H6A 0.9854 0.3528 0.7023 0.076 Uiso calc R 1 . .
C C7 0.8662(4) 0.3989(3) 0.5873(2) 0.0597(8) Uani d . 1 . .
H H7 0.8547 0.4683 0.6248 0.072 Uiso calc R 1 . .
C C8 1.0483(4) 0.1494(4) 0.6323(3) 0.0776(11) Uani d . 1 . .
H H8A 1.1188 0.2018 0.6908 0.116 Uiso calc R 1 . .
H H8B 1.1051 0.1202 0.5863 0.116 Uiso calc R 1 . .
H H8C 0.9740 0.0772 0.6528 0.116 Uiso calc R 1 . .
C C9 0.7612(3) 0.5454(3) 0.0442(2) 0.0487(7) Uani d . 1 . .
C C10 0.8704(4) 0.6676(3) 0.0614(3) 0.0633(8) Uani d . 1 . .
H H10 0.8768 0.7232 0.1191 0.076 Uiso calc R 1 . .
C C11 0.9708(4) 0.7072(4) -0.0079(3) 0.0696(10) Uani d . 1 . .
H H11 1.0430 0.7899 0.0039 0.083 Uiso calc R 1 . .
C C12 0.9656(4) 0.6271(4) -0.0932(3) 0.0643(9) Uani d . 1 . .
C C13 0.8574(4) 0.5052(4) -0.1092(2) 0.0631(9) Uani d . 1 . .
H H13 0.8527 0.4494 -0.1663 0.076 Uiso calc R 1 . .
C C14 0.7560(4) 0.4647(3) -0.0425(2) 0.0577(8) Uani d . 1 . .
H H14 0.6831 0.3823 -0.0555 0.069 Uiso calc R 1 . .
C C15 1.0760(4) 0.6718(5) -0.1666(3) 0.0884(13) Uani d . 1 . .
H H15A 1.0625 0.6020 -0.2183 0.133 Uiso calc R 1 . .
H H15B 1.1808 0.7028 -0.1313 0.133 Uiso calc R 1 . .
H H15C 1.0553 0.7392 -0.1969 0.133 Uiso calc R 1 . .
C C16 0.6518(3) 0.5021(3) 0.1152(2) 0.0460(6) Uani d . 1 . .
C C17 0.3434(3) 0.2683(3) 0.1692(2) 0.0478(7) Uani d . 1 . .
C C18 0.2745(4) 0.2739(3) 0.2641(2) 0.0536(7) Uani d . 1 . .
C C19 0.2976(4) 0.1494(3) 0.0962(2) 0.0609(8) Uani d . 1 . .
H H19A 0.3261 0.1701 0.0313 0.073 Uiso calc R 1 . .
H H19B 0.1860 0.1069 0.0868 0.073 Uiso calc R 1 . .
C C20 0.3765(4) 0.0608(3) 0.1338(3) 0.0633(9) Uani d . 1 . .
C C21 0.5281(5) 0.0825(4) 0.1244(4) 0.1030(16) Uani d . 1 . .
H H21 0.5812 0.1509 0.0936 0.124 Uiso calc R 1 . .
C C22 0.6049(6) 0.0033(5) 0.1603(6) 0.137(2) Uani d . 1 . .
H H22 0.7087 0.0204 0.1548 0.165 Uiso calc R 1 . .
C C23 0.5271(8) -0.0973(5) 0.2027(5) 0.1208(19) Uani d . 1 . .
H H23 0.5769 -0.1510 0.2255 0.145 Uiso calc R 1 . .
C C24 0.3768(8) -0.1209(4) 0.2124(4) 0.1169(19) Uani d . 1 . .
H H24 0.3236 -0.1910 0.2415 0.140 Uiso calc R 1 . .
C C25 0.3016(6) -0.0412(4) 0.1791(3) 0.0907(13) Uani d . 1 . .
H H25 0.1990 -0.0572 0.1876 0.109 Uiso calc R 1 . .
C C26 0.5773(8) 0.9020(8) 0.5320(7) 0.192(3) Uani d DU 1 . .
H H26A 0.5100 0.8688 0.5794 0.287 Uiso calc R 1 . .
H H26B 0.5167 0.8886 0.4663 0.287 Uiso calc R 1 . .
H H26C 0.6320 0.9917 0.5531 0.287 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
O5 V1 N2 . . 93.97(11) ?
O5 V1 O2 . . 98.37(11) ?
N2 V1 O2 . . 105.98(10) ?
O5 V1 O3 . . 97.34(11) ?
N2 V1 O3 . . 98.78(9) ?
O2 V1 O3 . . 149.52(9) ?
O5 V1 N4 . . 112.73(10) ?
N2 V1 N4 . . 153.13(10) ?
O2 V1 N4 . . 74.21(9) ?
O3 V1 N4 . . 75.66(9) ?
O5 V1 O1 . . 167.08(10) ?
N2 V1 O1 . . 73.11(9) ?
O2 V1 O1 . . 85.61(8) ?
O3 V1 O1 . . 84.85(8) ?
N4 V1 O1 . . 80.17(8) ?
C1 O1 V1 . . 113.77(18) ?
C16 O2 V1 . . 116.79(18) ?
C18 O3 V1 . . 119.46(18) ?
C26 O6 H6 . . 109.5 ?
C1 N1 N2 . . 114.8(2) ?
C1 N1 H1 . . 122.6 ?
N2 N1 H1 . . 122.6 ?
N1 N2 V1 . . 122.31(18) ?
N1 N2 H2 . . 118.8 ?
V1 N2 H2 . . 118.8 ?
C16 N3 N4 . . 107.1(2) ?
C17 N4 N3 . . 122.2(2) ?
C17 N4 V1 . . 119.05(19) ?
N3 N4 V1 . . 118.32(17) ?
O1 C1 N1 . . 115.7(3) ?
O1 C1 C2 . . 123.6(3) ?
N1 C1 C2 . . 120.7(3) ?
C3 C2 C7 . . 118.2(3) ?
C3 C2 C1 . . 118.4(3) ?
C7 C2 C1 . . 123.4(3) ?
C4 C3 C2 . . 120.5(3) ?
C4 C3 H3A . . 119.8 ?
C2 C3 H3A . . 119.8 ?
C3 C4 C5 . . 121.9(3) ?
C3 C4 H4 . . 119.0 ?
C5 C4 H4 . . 119.0 ?
C6 C5 C4 . . 117.4(3) ?
C6 C5 C8 . . 121.0(3) ?
C4 C5 C8 . . 121.6(3) ?
C5 C6 C7 . . 121.3(3) ?
C5 C6 H6A . . 119.4 ?
C7 C6 H6A . . 119.4 ?
C2 C7 C6 . . 120.7(3) ?
C2 C7 H7 . . 119.6 ?
C6 C7 H7 . . 119.6 ?
C5 C8 H8A . . 109.5 ?
C5 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C5 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C10 C9 C14 . . 118.4(3) ?
C10 C9 C16 . . 120.9(3) ?
C14 C9 C16 . . 120.7(3) ?
C9 C10 C11 . . 119.9(3) ?
C9 C10 H10 . . 120.1 ?
C11 C10 H10 . . 120.1 ?
C12 C11 C10 . . 121.5(3) ?
C12 C11 H11 . . 119.2 ?
C10 C11 H11 . . 119.2 ?
C11 C12 C13 . . 118.2(3) ?
C11 C12 C15 . . 120.5(4) ?
C13 C12 C15 . . 121.3(4) ?
C14 C13 C12 . . 121.3(3) ?
C14 C13 H13 . . 119.4 ?
C12 C13 H13 . . 119.4 ?
C13 C14 C9 . . 120.8(3) ?
C13 C14 H14 . . 119.6 ?
C9 C14 H14 . . 119.6 ?
C12 C15 H15A . . 109.5 ?
C12 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C12 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
O2 C16 N3 . . 123.4(3) ?
O2 C16 C9 . . 118.2(3) ?
N3 C16 C9 . . 118.3(2) ?
N4 C17 C19 . . 126.7(3) ?
N4 C17 C18 . . 110.9(3) ?
C19 C17 C18 . . 122.1(3) ?
O4 C18 O3 . . 124.2(3) ?
O4 C18 C17 . . 121.2(3) ?
O3 C18 C17 . . 114.6(3) ?
C17 C19 C20 . . 110.7(3) ?
C17 C19 H19A . . 109.5 ?
C20 C19 H19A . . 109.5 ?
C17 C19 H19B . . 109.5 ?
C20 C19 H19B . . 109.5 ?
H19A C19 H19B . . 108.1 ?
C21 C20 C25 . . 117.8(4) ?
C21 C20 C19 . . 120.1(3) ?
C25 C20 C19 . . 122.2(4) ?
C20 C21 C22 . . 121.3(4) ?
C20 C21 H21 . . 119.4 ?
C22 C21 H21 . . 119.4 ?
C23 C22 C21 . . 119.4(5) ?
C23 C22 H22 . . 120.3 ?
C21 C22 H22 . . 120.3 ?
C22 C23 C24 . . 120.4(5) ?
C22 C23 H23 . . 119.8 ?
C24 C23 H23 . . 119.8 ?
C23 C24 C25 . . 120.3(5) ?
C23 C24 H24 . . 119.8 ?
C25 C24 H24 . . 119.8 ?
C20 C25 C24 . . 120.8(4) ?
C20 C25 H25 . . 119.6 ?
C24 C25 H25 . . 119.6 ?
O6 C26 H26A . . 109.5 ?
O6 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
O6 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
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 O5 . 1.583(2) ?
V1 N2 . 1.875(2) ?
V1 O2 . 1.970(2) ?
V1 O3 . 1.996(2) ?
V1 N4 . 2.080(2) ?
V1 O1 . 2.215(2) ?
O1 C1 . 1.241(3) ?
O2 C16 . 1.301(3) ?
O3 C18 . 1.297(4) ?
O4 C18 . 1.224(4) ?
O6 C26 . 1.426(4) ?
O6 H6 . 0.8400 ?
N1 C1 . 1.344(4) ?
N1 N2 . 1.353(3) ?
N1 H1 . 0.8600 ?
N2 H2 . 0.8600 ?
N3 C16 . 1.312(4) ?
N3 N4 . 1.375(3) ?
N4 C17 . 1.286(4) ?
C1 C2 . 1.465(4) ?
C2 C3 . 1.383(4) ?
C2 C7 . 1.384(4) ?
C3 C4 . 1.372(5) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.385(5) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.377(5) ?
C5 C8 . 1.513(4) ?
C6 C7 . 1.384(4) ?
C6 H6A . 0.9300 ?
C7 H7 . 0.9300 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 C10 . 1.384(4) ?
C9 C14 . 1.391(4) ?
C9 C16 . 1.473(4) ?
C10 C11 . 1.395(5) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.373(5) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.378(5) ?
C12 C15 . 1.507(5) ?
C13 C14 . 1.375(4) ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C17 C19 . 1.481(4) ?
C17 C18 . 1.500(4) ?
C19 C20 . 1.513(5) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C20 C21 . 1.368(5) ?
C20 C25 . 1.370(5) ?
C21 C22 . 1.403(6) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.344(7) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.354(7) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.387(7) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
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
_geom_hbond_publ_flag
O6 H6 O4 2_666 0.84 2.18 2.821(5) 133 yes
N1 H1 O3 2_666 0.86 2.13 2.808(3) 135 yes
N2 H2 O6 . 0.86 1.99 2.800(4) 156 yes
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
O5 V1 O1 C1 . . . . 5.1(5) ?
N2 V1 O1 C1 . . . . 5.47(19) ?
O2 V1 O1 C1 . . . . 113.6(2) ?
O3 V1 O1 C1 . . . . -95.3(2) ?
N4 V1 O1 C1 . . . . -171.6(2) ?
O5 V1 O2 C16 . . . . -108.5(2) ?
N2 V1 O2 C16 . . . . 154.9(2) ?
O3 V1 O2 C16 . . . . 11.8(3) ?
N4 V1 O2 C16 . . . . 2.85(19) ?
O1 V1 O2 C16 . . . . 83.9(2) ?
O5 V1 O3 C18 . . . . 115.4(2) ?
N2 V1 O3 C18 . . . . -149.4(2) ?
O2 V1 O3 C18 . . . . -5.1(3) ?
N4 V1 O3 C18 . . . . 3.8(2) ?
O1 V1 O3 C18 . . . . -77.4(2) ?
C1 N1 N2 V1 . . . . 4.3(3) ?
O5 V1 N2 N1 . . . . 174.8(2) ?
O2 V1 N2 N1 . . . . -85.3(2) ?
O3 V1 N2 N1 . . . . 76.8(2) ?
N4 V1 N2 N1 . . . . 1.2(4) ?
O1 V1 N2 N1 . . . . -5.07(19) ?
C16 N3 N4 C17 . . . . -171.9(2) ?
C16 N3 N4 V1 . . . . 0.5(3) ?
O5 V1 N4 C17 . . . . -96.6(2) ?
N2 V1 N4 C17 . . . . 76.5(3) ?
O2 V1 N4 C17 . . . . 170.8(2) ?
O3 V1 N4 C17 . . . . -4.5(2) ?
O1 V1 N4 C17 . . . . 82.6(2) ?
O5 V1 N4 N3 . . . . 90.8(2) ?
N2 V1 N4 N3 . . . . -96.1(3) ?
O2 V1 N4 N3 . . . . -1.82(17) ?
O3 V1 N4 N3 . . . . -177.2(2) ?
O1 V1 N4 N3 . . . . -90.01(18) ?
V1 O1 C1 N1 . . . . -5.0(3) ?
V1 O1 C1 C2 . . . . 175.4(2) ?
N2 N1 C1 O1 . . . . 1.1(4) ?
N2 N1 C1 C2 . . . . -179.3(2) ?
O1 C1 C2 C3 . . . . 4.6(4) ?
N1 C1 C2 C3 . . . . -175.0(3) ?
O1 C1 C2 C7 . . . . -175.4(3) ?
N1 C1 C2 C7 . . . . 5.0(4) ?
C7 C2 C3 C4 . . . . -0.1(5) ?
C1 C2 C3 C4 . . . . 179.9(3) ?
C2 C3 C4 C5 . . . . 1.9(6) ?
C3 C4 C5 C6 . . . . -2.5(6) ?
C3 C4 C5 C8 . . . . 177.8(3) ?
C4 C5 C6 C7 . . . . 1.5(5) ?
C8 C5 C6 C7 . . . . -178.9(3) ?
C3 C2 C7 C6 . . . . -0.9(5) ?
C1 C2 C7 C6 . . . . 179.1(3) ?
C5 C6 C7 C2 . . . . 0.2(5) ?
C14 C9 C10 C11 . . . . 0.5(5) ?
C16 C9 C10 C11 . . . . -178.8(3) ?
C9 C10 C11 C12 . . . . -0.7(5) ?
C10 C11 C12 C13 . . . . 0.2(5) ?
C10 C11 C12 C15 . . . . -179.6(3) ?
C11 C12 C13 C14 . . . . 0.5(5) ?
C15 C12 C13 C14 . . . . -179.6(3) ?
C12 C13 C14 C9 . . . . -0.8(5) ?
C10 C9 C14 C13 . . . . 0.3(5) ?
C16 C9 C14 C13 . . . . 179.5(3) ?
V1 O2 C16 N3 . . . . -4.0(4) ?
V1 O2 C16 C9 . . . . 176.91(18) ?
N4 N3 C16 O2 . . . . 2.2(4) ?
N4 N3 C16 C9 . . . . -178.7(2) ?
C10 C9 C16 O2 . . . . -8.9(4) ?
C14 C9 C16 O2 . . . . 171.9(3) ?
C10 C9 C16 N3 . . . . 172.0(3) ?
C14 C9 C16 N3 . . . . -7.3(4) ?
N3 N4 C17 C19 . . . . 2.4(4) ?
V1 N4 C17 C19 . . . . -169.9(2) ?
N3 N4 C17 C18 . . . . 176.7(2) ?
V1 N4 C17 C18 . . . . 4.3(3) ?
V1 O3 C18 O4 . . . . 175.6(2) ?
V1 O3 C18 C17 . . . . -2.7(3) ?
N4 C17 C18 O4 . . . . -179.5(3) ?
C19 C17 C18 O4 . . . . -4.9(5) ?
N4 C17 C18 O3 . . . . -1.1(4) ?
C19 C17 C18 O3 . . . . 173.5(3) ?
N4 C17 C19 C20 . . . . 95.4(4) ?
C18 C17 C19 C20 . . . . -78.3(4) ?
C17 C19 C20 C21 . . . . -78.5(4) ?
C17 C19 C20 C25 . . . . 100.5(4) ?
C25 C20 C21 C22 . . . . -0.3(7) ?
C19 C20 C21 C22 . . . . 178.8(5) ?
C20 C21 C22 C23 . . . . 1.5(9) ?
C21 C22 C23 C24 . . . . -1.2(10) ?
C22 C23 C24 C25 . . . . -0.3(10) ?
C21 C20 C25 C24 . . . . -1.2(7) ?
C19 C20 C25 C24 . . . . 179.8(4) ?
C23 C24 C25 C20 . . . . 1.5(8) ?
