#------------------------------------------------------------------------------
#$Date: 2023-02-13 11:21:00 +0200 (Mon, 13 Feb 2023) $
#$Revision: 280869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/67/8106765.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_8106765
loop_
_publ_author_name
'Yin, Ning'
'Wu, Qiong'
'Zhang, Heng-Qiang'
'Zhang, Qi-Ying'
_publ_section_title
;
 Crystal structure of (acetylacetonato-κ2
 O,O′)-(2-amino-6-chlorobenzoato-\kO)-oxido(1,10-phenanthroline-κ2
 N,N′)vanadium(IV) -- trichloromethane (1/1)
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1045
_journal_page_last               1047
_journal_paper_doi               10.1515/ncrs-2017-0195
_journal_volume                  232
_journal_year                    2017
_chemical_formula_moiety         'C24 H20 Cl N3 O5 V, C H Cl3'
_chemical_formula_sum            'C25 H21 Cl4 N3 O5 V'
_chemical_formula_weight         636.19
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_cell_angle_alpha                78.0580(10)
_cell_angle_beta                 80.405(2)
_cell_angle_gamma                69.3880(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8055(5)
_cell_length_b                   11.5657(6)
_cell_length_c                   12.0494(6)
_cell_measurement_reflns_used    7038
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.77
_cell_measurement_theta_min      2.27
_cell_volume                     1371.69(12)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16340
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.127
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0549
_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)+(0.0972P)²+1.2208P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1600
_refine_ls_wR_factor_ref         0.1673
_reflns_number_gt                4183
_reflns_number_total             4936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2017-0195_suppl.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8106765
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
_atom_site_disorder_assembly
_atom_site_disorder_group
H3B H 0.462(4) 0.417(4) 0.094(3) 0.050(10) Uiso 1 1 d . . .
H3A H 0.441(4) 0.356(4) -0.002(3) 0.050(10) Uiso 1 1 d . . .
C1 C 1.0065(3) 0.5535(3) 0.1245(3) 0.0476(8) Uani 1 1 d . . .
H1 H 0.9753 0.6076 0.0589 0.057 Uiso 1 1 calc R . .
C2 C 1.1417(4) 0.4847(4) 0.1235(3) 0.0576(9) Uani 1 1 d . . .
H2 H 1.1987 0.4929 0.0577 0.069 Uiso 1 1 calc R . .
C3 C 1.1897(3) 0.4065(4) 0.2176(3) 0.0562(9) Uani 1 1 d . . .
H3 H 1.2800 0.3612 0.2170 0.067 Uiso 1 1 calc R . .
C4 C 1.1029(3) 0.3933(3) 0.3171(3) 0.0454(7) Uani 1 1 d . . .
C5 C 0.9683(3) 0.4647(3) 0.3103(2) 0.0367(6) Uani 1 1 d . . .
C6 C 1.1431(4) 0.3161(4) 0.4222(3) 0.0571(9) Uani 1 1 d . . .
H6 H 1.2321 0.2685 0.4272 0.069 Uiso 1 1 calc R . .
C7 C 1.0540(4) 0.3109(4) 0.5145(3) 0.0583(9) Uani 1 1 d . . .
H7 H 1.0832 0.2607 0.5823 0.070 Uiso 1 1 calc R . .
C8 C 0.9160(3) 0.3810(3) 0.5102(3) 0.0455(7) Uani 1 1 d . . .
C9 C 0.8731(3) 0.4564(3) 0.4079(2) 0.0369(6) Uani 1 1 d . . .
C10 C 0.8188(4) 0.3813(4) 0.6049(3) 0.0565(9) Uani 1 1 d . . .
H10 H 0.8424 0.3321 0.6746 0.068 Uiso 1 1 calc R . .
C11 C 0.6903(4) 0.4543(4) 0.5928(3) 0.0571(9) Uani 1 1 d . . .
H11 H 0.6257 0.4568 0.6547 0.069 Uiso 1 1 calc R . .
C12 C 0.6564(3) 0.5249(3) 0.4878(3) 0.0485(8) Uani 1 1 d . . .
H12 H 0.5679 0.5734 0.4810 0.058 Uiso 1 1 calc R . .
C13 C 0.6584(3) 0.4031(3) 0.1758(3) 0.0412(7) Uani 1 1 d . . .
C14 C 0.7156(3) 0.3116(3) 0.0925(3) 0.0403(7) Uani 1 1 d . . .
C15 C 0.8492(3) 0.2418(3) 0.0794(3) 0.0479(8) Uani 1 1 d . . .
C16 C 0.9044(4) 0.1682(4) -0.0056(4) 0.0634(10) Uani 1 1 d . . .
H16 H 0.9943 0.1213 -0.0122 0.076 Uiso 1 1 calc R . .
C17 C 0.8205(5) 0.1673(4) -0.0801(4) 0.0718(12) Uani 1 1 d . . .
H17 H 0.8557 0.1219 -0.1400 0.086 Uiso 1 1 calc R . .
C18 C 0.6876(5) 0.2311(4) -0.0683(3) 0.0633(10) Uani 1 1 d . . .
H18 H 0.6337 0.2282 -0.1196 0.076 Uiso 1 1 calc R . .
C19 C 0.6318(4) 0.3006(3) 0.0202(3) 0.0492(8) Uani 1 1 d . . .
C20 C 0.7296(4) 0.8777(3) 0.2182(3) 0.0509(8) Uani 1 1 d . . .
C21 C 0.7005(4) 0.9135(4) 0.1058(3) 0.0571(9) Uani 1 1 d . . .
C22 C 0.6897(3) 0.8353(3) 0.0384(3) 0.0480(8) Uani 1 1 d . . .
C23 C 0.6659(4) 0.8828(4) -0.0843(3) 0.0648(10) Uani 1 1 d . . .
H23A H 0.7413 0.8393 -0.1320 0.097 Uiso 1 1 calc R . .
H23B H 0.6532 0.9708 -0.1009 0.097 Uiso 1 1 calc R . .
H23C H 0.5881 0.8686 -0.0987 0.097 Uiso 1 1 calc R . .
C24 C 0.7529(5) 0.9703(4) 0.2770(4) 0.0770(13) Uani 1 1 d . . .
H24A H 0.7079 0.9675 0.3527 0.116 Uiso 1 1 calc R . .
H24B H 0.7192 1.0530 0.2348 0.116 Uiso 1 1 calc R . .
H24C H 0.8465 0.9492 0.2809 0.116 Uiso 1 1 calc R . .
C25 C 0.6867(7) 0.1208(5) 0.5903(5) 0.0953(17) Uani 1 1 d . . .
H25 H 0.647(6) 0.179(6) 0.645(5) 0.114 Uiso 1 1 calc . . .
Cl1 Cl 0.95472(10) 0.23989(10) 0.17492(11) 0.0722(3) Uani 1 1 d . . .
Cl2 Cl 0.6711(3) 0.20639(16) 0.45548(14) 0.1443(9) Uani 1 1 d . . .
Cl3 Cl 0.8471(2) 0.0386(2) 0.6193(2) 0.1546(9) Uani 1 1 d . . .
Cl4 Cl 0.5975(2) 0.0148(2) 0.61263(17) 0.1281(6) Uani 1 1 d . . .
H21 H 0.683(4) 0.991(5) 0.075(4) 0.075(14) Uiso 1 1 d . . .
N1 N 0.9206(2) 0.5443(2) 0.2162(2) 0.0379(6) Uani 1 1 d . . .
N2 N 0.7442(2) 0.5268(2) 0.3954(2) 0.0389(6) Uani 1 1 d . . .
N3 N 0.4964(4) 0.3600(4) 0.0352(4) 0.0728(10) Uani 1 1 d . . .
O1 O 0.7399(2) 0.7714(2) 0.2759(2) 0.0497(6) Uani 1 1 d . . .
O2 O 0.6993(2) 0.7202(2) 0.07284(19) 0.0485(5) Uani 1 1 d . . .
O3 O 0.5368(2) 0.6817(2) 0.2737(2) 0.0530(6) Uani 1 1 d . . .
O4 O 0.7163(2) 0.4846(2) 0.16426(19) 0.0443(5) Uani 1 1 d . . .
O5 O 0.5602(3) 0.3992(3) 0.2416(3) 0.0796(9) Uani 1 1 d . . .
V1 V 0.69247(5) 0.63377(5) 0.23284(4) 0.03762(19) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 122.2(3) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C3 C2 C1 120.2(3) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 119.9(3) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 116.2(3) . .
C5 C4 C6 119.1(3) . .
C3 C4 C6 124.7(3) . .
N1 C5 C4 123.8(3) . .
N1 C5 C9 116.5(3) . .
C4 C5 C9 119.7(3) . .
C7 C6 C4 121.1(3) . .
C7 C6 H6 119.5 . .
C4 C6 H6 119.5 . .
C6 C7 C8 121.4(3) . .
C6 C7 H7 119.3 . .
C8 C7 H7 119.3 . .
C9 C8 C10 117.2(3) . .
C9 C8 C7 118.9(3) . .
C10 C8 C7 123.8(3) . .
N2 C9 C8 123.3(3) . .
N2 C9 C5 116.9(3) . .
C8 C9 C5 119.8(3) . .
C11 C10 C8 119.2(3) . .
C11 C10 H10 120.4 . .
C8 C10 H10 120.4 . .
C10 C11 C12 119.6(3) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
N2 C12 C11 123.5(3) . .
N2 C12 H12 118.3 . .
C11 C12 H12 118.3 . .
O5 C13 O4 125.8(3) . .
O5 C13 C14 120.1(3) . .
O4 C13 C14 114.0(3) . .
C15 C14 C19 117.8(3) . .
C15 C14 C13 122.9(3) . .
C19 C14 C13 119.2(3) . .
C14 C15 C16 122.9(3) . .
C14 C15 Cl1 119.9(3) . .
C16 C15 Cl1 117.2(3) . .
C17 C16 C15 117.4(4) . .
C17 C16 H16 121.3 . .
C15 C16 H16 121.3 . .
C18 C17 C16 121.8(4) . .
C18 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C17 C18 C19 120.5(4) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
N3 C19 C18 120.3(4) . .
N3 C19 C14 120.5(3) . .
C18 C19 C14 119.3(3) . .
O1 C20 C21 124.6(3) . .
O1 C20 C24 116.5(3) . .
C21 C20 C24 118.9(3) . .
C22 C21 C20 125.1(4) . .
C22 C21 H21 116(3) . .
C20 C21 H21 119(3) . .
O2 C22 C21 124.4(3) . .
O2 C22 C23 115.3(3) . .
C21 C22 C23 120.3(3) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Cl3 C25 Cl2 114.6(4) . .
Cl3 C25 Cl4 108.5(3) . .
Cl2 C25 Cl4 109.9(4) . .
Cl3 C25 H25 108(4) . .
Cl2 C25 H25 108(4) . .
Cl4 C25 H25 108(4) . .
C1 N1 C5 117.8(3) . .
C1 N1 V1 128.3(2) . .
C5 N1 V1 113.69(18) . .
C12 N2 C9 117.1(3) . .
C12 N2 V1 123.7(2) . .
C9 N2 V1 119.18(19) . .
C19 N3 H3B 118(2) . .
C19 N3 H3A 126(3) . .
H3B N3 H3A 116(4) . .
C20 O1 V1 127.2(2) . .
C22 O2 V1 127.1(2) . .
C13 O4 V1 136.9(2) . .
O3 V1 O2 102.19(12) . .
O3 V1 O4 103.51(11) . .
O2 V1 O4 84.79(10) . .
O3 V1 O1 98.00(12) . .
O2 V1 O1 87.62(10) . .
O4 V1 O1 158.25(10) . .
O3 V1 N2 93.78(11) . .
O2 V1 N2 163.87(10) . .
O4 V1 N2 93.71(10) . .
O1 V1 N2 87.97(9) . .
O3 V1 N1 167.14(11) . .
O2 V1 N1 90.60(9) . .
O4 V1 N1 78.73(9) . .
O1 V1 N1 81.01(10) . .
N2 V1 N1 73.39(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.331(4) .
C1 C2 1.395(5) .
C1 H1 0.9300 .
C2 C3 1.348(6) .
C2 H2 0.9300 .
C3 C4 1.411(5) .
C3 H3 0.9300 .
C4 C5 1.404(4) .
C4 C6 1.424(5) .
C5 N1 1.351(4) .
C5 C9 1.439(4) .
C6 C7 1.350(6) .
C6 H6 0.9300 .
C7 C8 1.429(5) .
C7 H7 0.9300 .
C8 C9 1.399(4) .
C8 C10 1.416(5) .
C9 N2 1.358(4) .
C10 C11 1.361(6) .
C10 H10 0.9300 .
C11 C12 1.385(5) .
C11 H11 0.9300 .
C12 N2 1.339(4) .
C12 H12 0.9300 .
C13 O5 1.223(4) .
C13 O4 1.277(4) .
C13 C14 1.511(4) .
C14 C15 1.385(5) .
C14 C19 1.408(5) .
C15 C16 1.389(5) .
C15 Cl1 1.742(4) .
C16 C17 1.381(6) .
C16 H16 0.9300 .
C17 C18 1.362(7) .
C17 H17 0.9300 .
C18 C19 1.395(5) .
C18 H18 0.9300 .
C19 N3 1.378(5) .
C20 O1 1.258(4) .
C20 C21 1.387(5) .
C20 C24 1.508(5) .
C21 C22 1.379(5) .
C21 H21 0.86(5) .
C22 O2 1.282(4) .
C22 C23 1.498(5) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 Cl3 1.713(7) .
C25 Cl2 1.719(6) .
C25 Cl4 1.764(7) .
C25 H25 0.98(6) .
N1 V1 2.305(3) .
N2 V1 2.135(3) .
N3 H3B 1.00(4) .
N3 H3A 0.83(4) .
O1 V1 2.017(2) .
O2 V1 1.982(2) .
O3 V1 1.600(2) .
O4 V1 1.983(2) .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -0.6(6) . . . .
C1 C2 C3 C4 0.6(6) . . . .
C2 C3 C4 C5 0.3(5) . . . .
C2 C3 C4 C6 -178.3(4) . . . .
C3 C4 C5 N1 -1.2(5) . . . .
C6 C4 C5 N1 177.4(3) . . . .
C3 C4 C5 C9 179.8(3) . . . .
C6 C4 C5 C9 -1.5(5) . . . .
C5 C4 C6 C7 -0.1(5) . . . .
C3 C4 C6 C7 178.4(4) . . . .
C4 C6 C7 C8 0.9(6) . . . .
C6 C7 C8 C9 -0.1(5) . . . .
C6 C7 C8 C10 -178.6(4) . . . .
C10 C8 C9 N2 -1.1(5) . . . .
C7 C8 C9 N2 -179.7(3) . . . .
C10 C8 C9 C5 177.0(3) . . . .
C7 C8 C9 C5 -1.6(5) . . . .
N1 C5 C9 N2 1.6(4) . . . .
C4 C5 C9 N2 -179.4(3) . . . .
N1 C5 C9 C8 -176.7(3) . . . .
C4 C5 C9 C8 2.4(4) . . . .
C9 C8 C10 C11 -0.5(5) . . . .
C7 C8 C10 C11 178.0(3) . . . .
C8 C10 C11 C12 1.4(5) . . . .
C10 C11 C12 N2 -0.7(5) . . . .
O5 C13 C14 C15 -130.1(4) . . . .
O4 C13 C14 C15 53.9(4) . . . .
O5 C13 C14 C19 53.3(5) . . . .
O4 C13 C14 C19 -122.6(3) . . . .
C19 C14 C15 C16 3.9(5) . . . .
C13 C14 C15 C16 -172.7(3) . . . .
C19 C14 C15 Cl1 -173.9(2) . . . .
C13 C14 C15 Cl1 9.5(5) . . . .
C14 C15 C16 C17 0.8(6) . . . .
Cl1 C15 C16 C17 178.7(3) . . . .
C15 C16 C17 C18 -3.0(6) . . . .
C16 C17 C18 C19 0.4(7) . . . .
C17 C18 C19 N3 -176.8(4) . . . .
C17 C18 C19 C14 4.5(6) . . . .
C15 C14 C19 N3 174.8(3) . . . .
C13 C14 C19 N3 -8.5(5) . . . .
C15 C14 C19 C18 -6.5(5) . . . .
C13 C14 C19 C18 170.3(3) . . . .
O1 C20 C21 C22 -5.8(6) . . . .
C24 C20 C21 C22 173.4(4) . . . .
C20 C21 C22 O2 3.4(6) . . . .
C20 C21 C22 C23 -176.2(4) . . . .
C2 C1 N1 C5 -0.3(5) . . . .
C2 C1 N1 V1 -173.9(3) . . . .
C4 C5 N1 C1 1.2(4) . . . .
C9 C5 N1 C1 -179.8(3) . . . .
C4 C5 N1 V1 175.7(2) . . . .
C9 C5 N1 V1 -5.3(3) . . . .
C11 C12 N2 C9 -0.9(5) . . . .
C11 C12 N2 V1 179.3(3) . . . .
C8 C9 N2 C12 1.8(4) . . . .
C5 C9 N2 C12 -176.4(3) . . . .
C8 C9 N2 V1 -178.4(2) . . . .
C5 C9 N2 V1 3.4(3) . . . .
C21 C20 O1 V1 -9.6(5) . . . .
C24 C20 O1 V1 171.3(3) . . . .
C21 C22 O2 V1 14.3(5) . . . .
C23 C22 O2 V1 -166.1(2) . . . .
O5 C13 O4 V1 0.3(6) . . . .
C14 C13 O4 V1 175.9(2) . . . .
C22 O2 V1 O3 77.1(3) . . . .
C22 O2 V1 O4 179.8(3) . . . .
C22 O2 V1 O1 -20.6(3) . . . .
C22 O2 V1 N2 -94.9(4) . . . .
C22 O2 V1 N1 -101.6(3) . . . .
C13 O4 V1 O3 -26.7(3) . . . .
C13 O4 V1 O2 -128.0(3) . . . .
C13 O4 V1 O1 161.9(3) . . . .
C13 O4 V1 N2 68.1(3) . . . .
C13 O4 V1 N1 140.3(3) . . . .
C20 O1 V1 O3 -83.6(3) . . . .
C20 O1 V1 O2 18.4(3) . . . .
C20 O1 V1 O4 87.9(4) . . . .
C20 O1 V1 N2 -177.1(3) . . . .
C20 O1 V1 N1 109.4(3) . . . .
C12 N2 V1 O3 -3.8(3) . . . .
C9 N2 V1 O3 176.3(2) . . . .
C12 N2 V1 O2 168.3(3) . . . .
C9 N2 V1 O2 -11.6(5) . . . .
C12 N2 V1 O4 -107.7(3) . . . .
C9 N2 V1 O4 72.5(2) . . . .
C12 N2 V1 O1 94.0(3) . . . .
C9 N2 V1 O1 -85.8(2) . . . .
C12 N2 V1 N1 175.3(3) . . . .
C9 N2 V1 N1 -4.5(2) . . . .
C1 N1 V1 O3 -177.0(5) . . . .
C5 N1 V1 O3 9.2(6) . . . .
C1 N1 V1 O2 -2.9(3) . . . .
C5 N1 V1 O2 -176.7(2) . . . .
C1 N1 V1 O4 81.6(3) . . . .
C5 N1 V1 O4 -92.2(2) . . . .
C1 N1 V1 O1 -90.4(3) . . . .
C5 N1 V1 O1 95.8(2) . . . .
C1 N1 V1 N2 179.0(3) . . . .
C5 N1 V1 N2 5.21(19) . . . .
