#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:04:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180371 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/40/7204011.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_7204011
loop_
_publ_author_name
'Lin, Raymond'
'Tsai, Chun-Hsien'
'Chao, Man-Qian'
'Lai, Chung K.'
_publ_section_title
;
 Columnar metallomesogens: vanadyl complexes derived from
 β,δ-triketones
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              359
_journal_paper_doi               10.1039/b005759m
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'C50 H62 O10 V'
_chemical_formula_weight         873.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 100.320(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6581(1)
_cell_length_b                   14.5933(2)
_cell_length_c                   21.7985(1)
_cell_measurement_reflns_used    7552
_cell_measurement_temperature    120(1)
_cell_volume                     4587.48(7)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(1)
_diffrn_measurement_device       'Siemens SMART CCD'
_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  0.0733
_diffrn_reflns_av_sigmaI/netI    0.0930
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21509
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.274
_exptl_absorpt_correction_T_max  0.9280
_exptl_absorpt_correction_T_min  0.5407
_exptl_absorpt_correction_type   ' empirical used sadabs'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_meas      ?
_exptl_crystal_description       column
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.00049(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.041
_refine_ls_goodness_of_fit_obs   1.181
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         9281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_restrained_S_obs      1.181
_refine_ls_R_factor_all          0.1308
_refine_ls_R_factor_obs          0.0693
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0656P)²+0.6244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1589
_refine_ls_wR_factor_obs         0.1377
_reflns_number_observed          5582
_reflns_number_total             9281
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b005759m.txt
_cod_data_source_block           ic6435
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.6244P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.6244P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7204011
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
V V 0.27737(4) 0.93608(4) 0.02042(2) 0.0188(2) Uani 1 d . .
O1 O 0.2781(2) 0.8616(2) -0.16515(11) 0.0360(7) Uani 1 d . .
H1A H 0.2727(32) 0.8772(32) -0.1289(22) 0.082(17) Uiso 1 d . .
O2 O 0.33519(13) 0.9047(2) -0.05179(9) 0.0212(5) Uani 1 d . .
O3 O 0.39630(14) 0.90891(15) 0.07550(9) 0.0211(5) Uani 1 d . .
O4 O 0.77552(14) 0.8822(2) 0.26375(9) 0.0258(6) Uani 1 d . .
O5 O 0.2742(2) 0.8878(2) 0.20959(11) 0.0506(9) Uani 1 d . .
H5A H 0.2735(26) 0.9027(27) 0.1695(19) 0.055(13) Uiso 1 d . .
O6 O 0.21806(13) 0.91642(15) 0.09391(9) 0.0207(5) Uani 1 d . .
O7 O 0.15627(13) 0.9123(2) -0.03373(9) 0.0218(5) Uani 1 d . .
O8 O -0.22072(14) 0.8527(2) -0.21938(9) 0.0260(6) Uani 1 d . .
O9 O 0.28056(14) 1.04593(15) 0.01855(9) 0.0237(5) Uani 1 d . .
O10 O 0.2712(2) 0.7706(2) 0.02380(10) 0.0288(5) Uani 1 d . .
C1 C 0.3694(2) 0.8632(2) -0.16990(14) 0.0243(8) Uani 1 d . .
C2 C 0.3896(2) 0.8491(3) -0.22933(14) 0.0317(9) Uani 1 d . .
H2A H 0.3406(2) 0.8396(3) -0.26365(14) 0.038 Uiso 1 calc R .
C3 C 0.4798(2) 0.8489(3) -0.2386(2) 0.0339(9) Uani 1 d . .
H3A H 0.4927(2) 0.8388(3) -0.2792(2) 0.041 Uiso 1 calc R .
C4 C 0.5519(2) 0.8634(3) -0.18919(15) 0.0308(9) Uani 1 d . .
H4A H 0.6141(2) 0.8647(3) -0.19613(15) 0.037 Uiso 1 calc R .
C5 C 0.5336(2) 0.8759(2) -0.12971(14) 0.0229(8) Uani 1 d . .
H5B H 0.5836(2) 0.8854(2) -0.09601(14) 0.027 Uiso 1 calc R .
C6 C 0.4419(2) 0.8749(2) -0.11823(13) 0.0187(7) Uani 1 d . .
C7 C 0.4219(2) 0.8878(2) -0.05441(14) 0.0172(7) Uani 1 d . .
C8 C 0.4902(2) 0.8810(2) -0.00114(14) 0.0188(7) Uani 1 d . .
H8A H 0.5514(2) 0.8674(2) -0.00701(14) 0.023 Uiso 1 calc R .
C9 C 0.4763(2) 0.8926(2) 0.06041(14) 0.0171(7) Uani 1 d . .
C10 C 0.5547(2) 0.8868(2) 0.11374(13) 0.0182(7) Uani 1 d . .
C11 C 0.6476(2) 0.8876(2) 0.10621(14) 0.0203(7) Uani 1 d . .
H11A H 0.6618(2) 0.8883(2) 0.06535(14) 0.024 Uiso 1 calc R .
C12 C 0.7189(2) 0.8875(2) 0.15685(14) 0.0229(8) Uani 1 d . .
H12A H 0.7813(2) 0.8897(2) 0.15060(14) 0.028 Uiso 1 calc R .
C13 C 0.6999(2) 0.8842(2) 0.21736(14) 0.0209(7) Uani 1 d . .
C14 C 0.6084(2) 0.8821(2) 0.22604(14) 0.0229(8) Uani 1 d . .
H14A H 0.5948(2) 0.8789(2) 0.26697(14) 0.027 Uiso 1 calc R .
C15 C 0.5369(2) 0.8845(2) 0.17474(14) 0.0224(8) Uani 1 d . .
H15A H 0.4745(2) 0.8846(2) 0.18119(14) 0.027 Uiso 1 calc R .
C16 C 0.7612(2) 0.8770(2) 0.32722(13) 0.0241(8) Uani 1 d . .
H16A H 0.7272(2) 0.8202(2) 0.33387(13) 0.029 Uiso 1 calc R .
H16B H 0.7246(2) 0.9303(2) 0.33723(13) 0.029 Uiso 1 calc R .
C17 C 0.8565(2) 0.8770(2) 0.36801(14) 0.0229(8) Uani 1 d . .
H17A H 0.8905(2) 0.9326(2) 0.35903(14) 0.027 Uiso 1 calc R .
H17B H 0.8917(2) 0.8230(2) 0.35762(14) 0.027 Uiso 1 calc R .
C18 C 0.8516(2) 0.8748(2) 0.43734(13) 0.0234(8) Uani 1 d . .
H18A H 0.8186(2) 0.9301(2) 0.44791(13) 0.028 Uiso 1 calc R .
H18B H 0.8152(2) 0.8206(2) 0.44583(13) 0.028 Uiso 1 calc R .
C19 C 0.9465(2) 0.8709(2) 0.47903(13) 0.0215(8) Uani 1 d . .
H19A H 0.9837(2) 0.9238(2) 0.46936(13) 0.026 Uiso 1 calc R .
H19B H 0.9786(2) 0.8144(2) 0.46946(13) 0.026 Uiso 1 calc R .
C20 C 0.9423(2) 0.8721(2) 0.54841(14) 0.0252(8) Uani 1 d . .
H20A H 0.9092(2) 0.9282(2) 0.55769(14) 0.030 Uiso 1 calc R .
H20B H 0.9056(2) 0.8187(2) 0.55801(14) 0.030 Uiso 1 calc R .
C21 C 1.0364(2) 0.8696(2) 0.59091(14) 0.0231(8) Uani 1 d . .
H21A H 1.0744(2) 0.9210(2) 0.57982(14) 0.028 Uiso 1 calc R .
H21B H 1.0681(2) 0.8118(2) 0.58343(14) 0.028 Uiso 1 calc R .
C22 C 1.0315(2) 0.8761(3) 0.66022(14) 0.0296(9) Uani 1 d . .
H22A H 1.0005(2) 0.9342(3) 0.66780(14) 0.035 Uiso 1 calc R .
H22B H 0.9929(2) 0.8251(3) 0.67121(14) 0.035 Uiso 1 calc R .
C23 C 1.1256(2) 0.8724(3) 0.7026(2) 0.0362(10) Uani 1 d . .
H23A H 1.1175(2) 0.8769(3) 0.7462(2) 0.054 Uiso 1 calc R .
H23B H 1.1639(2) 0.9236(3) 0.6929(2) 0.054 Uiso 1 calc R .
H23C H 1.1562(2) 0.8144(3) 0.6963(2) 0.054 Uiso 1 calc R .
C24 C 0.1823(2) 0.8850(3) 0.2130(2) 0.0291(9) Uani 1 d . .
C25 C 0.1616(2) 0.8739(3) 0.27303(15) 0.0367(10) Uani 1 d . .
H25A H 0.2105(2) 0.8682(3) 0.30789(15) 0.044 Uiso 1 calc R .
C26 C 0.0712(2) 0.8714(3) 0.2815(2) 0.0351(9) Uani 1 d . .
H26A H 0.0577(2) 0.8632(3) 0.3222(2) 0.042 Uiso 1 calc R .
C27 C -0.0007(2) 0.8807(3) 0.23102(15) 0.0347(10) Uani 1 d . .
H27A H -0.0632(2) 0.8811(3) 0.23714(15) 0.042 Uiso 1 calc R .
C28 C 0.0196(2) 0.8894(2) 0.17152(15) 0.0283(9) Uani 1 d . .
H28A H -0.0300(2) 0.8944(2) 0.13702(15) 0.034 Uiso 1 calc R .
C29 C 0.1108(2) 0.8910(2) 0.16092(14) 0.0188(7) Uani 1 d . .
C30 C 0.1319(2) 0.8981(2) 0.09695(14) 0.0174(7) Uani 1 d . .
C31 C 0.0642(2) 0.8850(2) 0.04402(14) 0.0207(7) Uani 1 d . .
H31A H 0.0037(2) 0.8696(2) 0.05049(14) 0.025 Uiso 1 calc R .
C32 C 0.0775(2) 0.8924(2) -0.01831(14) 0.0182(7) Uani 1 d . .
C33 C -0.0007(2) 0.8790(2) -0.07085(14) 0.0170(7) Uani 1 d . .
C34 C -0.0938(2) 0.8777(2) -0.06274(14) 0.0201(7) Uani 1 d . .
H34A H -0.1078(2) 0.8831(2) -0.02201(14) 0.024 Uiso 1 calc R .
C35 C -0.1645(2) 0.8686(2) -0.11301(14) 0.0208(7) Uani 1 d . .
H35A H -0.2271(2) 0.8677(2) -0.10684(14) 0.025 Uiso 1 calc R .
C36 C -0.1449(2) 0.8607(2) -0.17307(13) 0.0190(7) Uani 1 d . .
C37 C -0.0532(2) 0.8604(2) -0.18237(14) 0.0232(8) Uani 1 d . .
H37A H -0.0395(2) 0.8537(2) -0.22310(14) 0.028 Uiso 1 calc R .
C38 C 0.0176(2) 0.8702(2) -0.13146(14) 0.0214(8) Uani 1 d . .
H38A H 0.0800(2) 0.8709(2) -0.13778(14) 0.026 Uiso 1 calc R .
C39 C -0.2078(2) 0.8544(2) -0.28322(13) 0.0247(8) Uani 1 d . .
H39A H -0.1746(2) 0.7986(2) -0.29293(13) 0.030 Uiso 1 calc R .
H39B H -0.1710(2) 0.9087(2) -0.29095(13) 0.030 Uiso 1 calc R .
C40 C -0.3033(2) 0.8583(2) -0.32313(13) 0.0224(8) Uani 1 d . .
H40A H -0.3363(2) 0.9130(2) -0.31150(13) 0.027 Uiso 1 calc R .
H40B H -0.3389(2) 0.8034(2) -0.31490(13) 0.027 Uiso 1 calc R .
C41 C -0.2991(2) 0.8626(2) -0.39244(14) 0.0252(8) Uani 1 d . .
H41A H -0.2649(2) 0.9185(2) -0.40067(14) 0.030 Uiso 1 calc R .
H41B H -0.2640(2) 0.8090(2) -0.40357(14) 0.030 Uiso 1 calc R .
C42 C -0.3945(2) 0.8637(2) -0.43385(14) 0.0257(8) Uani 1 d . .
H42A H -0.4297(2) 0.9170(2) -0.42238(14) 0.031 Uiso 1 calc R .
H42B H -0.4285(2) 0.8076(2) -0.42578(14) 0.031 Uiso 1 calc R .
C43 C -0.3912(2) 0.8688(2) -0.50341(14) 0.0265(8) Uani 1 d . .
H43A H -0.3548(2) 0.9234(2) -0.51113(14) 0.032 Uiso 1 calc R .
H43B H -0.3583(2) 0.8141(2) -0.51520(14) 0.032 Uiso 1 calc R .
C44 C -0.4862(2) 0.8740(2) -0.54499(14) 0.0254(8) Uani 1 d . .
H44A H -0.5205(2) 0.8168(2) -0.54008(14) 0.030 Uiso 1 calc R .
H44B H -0.5212(2) 0.9254(2) -0.53072(14) 0.030 Uiso 1 calc R .
C45 C -0.4830(2) 0.8874(3) -0.61368(15) 0.0332(9) Uani 1 d . .
H45A H -0.4464(2) 0.8371(3) -0.62776(15) 0.040 Uiso 1 calc R .
H45B H -0.4506(2) 0.9457(3) -0.61889(15) 0.040 Uiso 1 calc R .
C46 C -0.5786(3) 0.8896(3) -0.6549(2) 0.0394(10) Uani 1 d . .
H46A H -0.5720(3) 0.8983(3) -0.6984(2) 0.059 Uiso 1 calc R .
H46B H -0.6148(3) 0.9402(3) -0.6419(2) 0.059 Uiso 1 calc R .
H46C H -0.6106(3) 0.8315(3) -0.6508(2) 0.059 Uiso 1 calc R .
C47 C 0.3003(3) 0.7155(3) 0.0779(2) 0.0442(11) Uani 1 d . .
H47A H 0.2556(3) 0.7214(3) 0.1067(2) 0.053 Uiso 1 calc R .
H47B H 0.3618(3) 0.7361(3) 0.0999(2) 0.053 Uiso 1 calc R .
C48 C 0.3053(3) 0.6187(3) 0.0580(2) 0.0440(10) Uani 1 d . .
H48A H 0.2808(3) 0.5771(3) 0.0870(2) 0.053 Uiso 1 calc R .
H48B H 0.3700(3) 0.6011(3) 0.0564(2) 0.053 Uiso 1 calc R .
C49 C 0.2457(3) 0.6152(3) -0.0063(2) 0.0414(10) Uani 1 d . .
H49A H 0.2729(3) 0.5734(3) -0.0340(2) 0.050 Uiso 1 calc R .
H49B H 0.1822(3) 0.5942(3) -0.0041(2) 0.050 Uiso 1 calc R .
C50 C 0.2449(3) 0.7119(3) -0.0294(2) 0.0452(11) Uani 1 d . .
H50A H 0.2891(3) 0.7188(3) -0.0585(2) 0.054 Uiso 1 calc R .
H50B H 0.1821(3) 0.7283(3) -0.0517(2) 0.054 Uiso 1 calc R .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O9 V O2 101.16(10) . . ?
O9 V O3 100.94(10) . . ?
O2 V O3 88.84(8) . . ?
O9 V O6 100.65(10) . . ?
O2 V O6 158.20(9) . . ?
O3 V O6 86.94(8) . . ?
O9 V O7 100.78(10) . . ?
O2 V O7 87.18(8) . . ?
O3 V O7 158.28(9) . . ?
O6 V O7 88.87(8) . . ?
O9 V O10 179.39(9) . . ?
O2 V O10 79.39(8) . . ?
O3 V O10 79.32(8) . . ?
O6 V O10 78.81(8) . . ?
O7 V O10 78.96(8) . . ?
C7 O2 V 129.8(2) . . ?
C9 O3 V 128.6(2) . . ?
C13 O4 C16 118.4(2) . . ?
C30 O6 V 129.9(2) . . ?
C32 O7 V 129.2(2) . . ?
C36 O8 C39 118.9(2) . . ?
C47 O10 C50 109.1(3) . . ?
C47 O10 V 125.5(2) . . ?
C50 O10 V 125.2(2) . . ?
O1 C1 C2 116.3(3) . . ?
O1 C1 C6 123.4(3) . . ?
C2 C1 C6 120.2(3) . . ?
C3 C2 C1 120.5(3) . . ?
C2 C3 C4 120.4(3) . . ?
C5 C4 C3 120.0(3) . . ?
C4 C5 C6 121.1(3) . . ?
C5 C6 C1 117.6(3) . . ?
C5 C6 C7 121.3(3) . . ?
C1 C6 C7 121.1(3) . . ?
O2 C7 C8 122.4(3) . . ?
O2 C7 C6 114.9(3) . . ?
C8 C7 C6 122.6(3) . . ?
C7 C8 C9 125.6(3) . . ?
O3 C9 C8 124.0(3) . . ?
O3 C9 C10 114.9(3) . . ?
C8 C9 C10 121.1(3) . . ?
C15 C10 C11 117.5(3) . . ?
C15 C10 C9 119.7(3) . . ?
C11 C10 C9 122.7(3) . . ?
C12 C11 C10 121.3(3) . . ?
C11 C12 C13 120.4(3) . . ?
O4 C13 C14 125.2(3) . . ?
O4 C13 C12 115.4(3) . . ?
C14 C13 C12 119.4(3) . . ?
C13 C14 C15 119.9(3) . . ?
C14 C15 C10 121.5(3) . . ?
O4 C16 C17 106.6(2) . . ?
C16 C17 C18 112.2(3) . . ?
C19 C18 C17 113.1(3) . . ?
C18 C19 C20 113.4(3) . . ?
C21 C20 C19 114.3(3) . . ?
C20 C21 C22 113.8(3) . . ?
C23 C22 C21 113.7(3) . . ?
O5 C24 C25 115.7(3) . . ?
O5 C24 C29 123.8(3) . . ?
C25 C24 C29 120.5(3) . . ?
C26 C25 C24 120.2(3) . . ?
C25 C26 C27 120.4(3) . . ?
C26 C27 C28 119.5(3) . . ?
C27 C28 C29 121.8(3) . . ?
C28 C29 C24 117.6(3) . . ?
C28 C29 C30 121.5(3) . . ?
C24 C29 C30 120.9(3) . . ?
O6 C30 C31 122.6(3) . . ?
O6 C30 C29 115.4(3) . . ?
C31 C30 C29 122.1(3) . . ?
C30 C31 C32 125.9(3) . . ?
O7 C32 C31 123.5(3) . . ?
O7 C32 C33 115.6(3) . . ?
C31 C32 C33 120.9(3) . . ?
C38 C33 C34 118.1(3) . . ?
C38 C33 C32 119.3(3) . . ?
C34 C33 C32 122.6(3) . . ?
C35 C34 C33 120.8(3) . . ?
C34 C35 C36 120.2(3) . . ?
O8 C36 C37 124.8(3) . . ?
O8 C36 C35 115.1(3) . . ?
C37 C36 C35 120.2(3) . . ?
C38 C37 C36 119.1(3) . . ?
C37 C38 C33 121.5(3) . . ?
O8 C39 C40 106.8(2) . . ?
C39 C40 C41 112.0(3) . . ?
C42 C41 C40 113.1(3) . . ?
C41 C42 C43 113.5(3) . . ?
C44 C43 C42 113.9(3) . . ?
C45 C44 C43 114.0(3) . . ?
C44 C45 C46 113.3(3) . . ?
O10 C47 C48 108.6(3) . . ?
C47 C48 C49 104.6(3) . . ?
C50 C49 C48 104.3(3) . . ?
O10 C50 C49 107.9(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V O9 1.605(2) . ?
V O2 1.971(2) . ?
V O3 1.972(2) . ?
V O6 1.976(2) . ?
V O7 1.978(2) . ?
V O10 2.418(2) . ?
O1 C1 1.360(4) . ?
O2 C7 1.306(3) . ?
O3 C9 1.295(3) . ?
O4 C13 1.360(3) . ?
O4 C16 1.438(3) . ?
O5 C24 1.364(4) . ?
O6 C30 1.304(3) . ?
O7 C32 1.292(3) . ?
O8 C36 1.366(3) . ?
O8 C39 1.438(3) . ?
O10 C47 1.427(4) . ?
O10 C50 1.438(4) . ?
C1 C2 1.395(4) . ?
C1 C6 1.413(4) . ?
C2 C3 1.372(4) . ?
C3 C4 1.384(5) . ?
C4 C5 1.383(4) . ?
C5 C6 1.411(4) . ?
C6 C7 1.484(4) . ?
C7 C8 1.394(4) . ?
C8 C9 1.403(4) . ?
C9 C10 1.484(4) . ?
C10 C15 1.401(4) . ?
C10 C11 1.401(4) . ?
C11 C12 1.377(4) . ?
C12 C13 1.397(4) . ?
C13 C14 1.387(4) . ?
C14 C15 1.390(4) . ?
C16 C17 1.517(4) . ?
C17 C18 1.526(4) . ?
C18 C19 1.520(4) . ?
C19 C20 1.525(4) . ?
C20 C21 1.518(4) . ?
C21 C22 1.528(4) . ?
C22 C23 1.518(4) . ?
C24 C25 1.404(4) . ?
C24 C29 1.403(4) . ?
C25 C26 1.372(5) . ?
C26 C27 1.387(5) . ?
C27 C28 1.387(4) . ?
C28 C29 1.398(4) . ?
C29 C30 1.485(4) . ?
C30 C31 1.394(4) . ?
C31 C32 1.411(4) . ?
C32 C33 1.481(4) . ?
C33 C38 1.400(4) . ?
C33 C34 1.406(4) . ?
C34 C35 1.374(4) . ?
C35 C36 1.395(4) . ?
C36 C37 1.395(4) . ?
C37 C38 1.384(4) . ?
C39 C40 1.511(4) . ?
C40 C41 1.524(4) . ?
C41 C42 1.523(4) . ?
C42 C43 1.528(4) . ?
C43 C44 1.522(4) . ?
C44 C45 1.519(4) . ?
C45 C46 1.524(4) . ?
C47 C48 1.483(5) . ?
C48 C49 1.514(5) . ?
C49 C50 1.497(5) . ?
