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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/79/7107940.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_7107940
loop_
_publ_author_name
'Xiao-Jing Yang'
'Song-Song Bao'
'Tao Zheng'
'Li-Min Zheng'
_publ_section_title
;
 An enantioenriched vanadium phosphonate generated via asymmetric chiral
 amplification of crystallization from achiral sources showing a
 single-crystal-to-single-crystal dehydration process
;
_journal_name_full               Chem.Commun.
_journal_page_first              6565
_journal_paper_doi               10.1039/c2cc32214e
_journal_volume                  48
_journal_year                    2012
_chemical_absolute_configuration rm
_chemical_formula_sum            'C14 H22 O20 P2 V3'
_chemical_formula_weight         725.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.873(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5302(10)
_cell_length_b                   9.0426(9)
_cell_length_c                   14.3609(15)
_cell_measurement_reflns_used    3661
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.15
_cell_volume                     1231.1(2)
_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, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6026
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.956
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             730
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.559
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3661
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0490
_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)+(0.1050P)²+0.3380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                3522
_reflns_number_total             3661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc32214e.txt
_cod_data_source_block           110427am
_cod_original_sg_symbol_Hall     'p 2yb'
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7107940
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
V1 V 0.60358(8) 0.79899(9) 0.73746(6) 0.0222(2) Uani 1 1 d U
V2 V 0.29135(9) 0.65646(11) 1.00563(6) 0.0260(2) Uani 1 1 d U
V3 V 1.10839(8) 1.08850(9) 0.75910(7) 0.0240(2) Uani 1 1 d .
P1 P 0.78076(13) 1.10621(15) 0.78038(9) 0.0205(3) Uani 1 1 d .
P2 P 0.28812(13) 0.77682(14) 0.78340(9) 0.0212(3) Uani 1 1 d .
C1 C 0.7671(5) 1.2452(6) 0.6922(3) 0.0217(11) Uani 1 1 d .
C2 C 0.6658(6) 1.2303(8) 0.6158(4) 0.0332(13) Uani 1 1 d .
H2 H 0.6077 1.1475 0.6109 0.040 Uiso 1 1 calc R
C3 C 0.6514(7) 1.3376(8) 0.5475(4) 0.0429(17) Uani 1 1 d .
H3 H 0.5825 1.3262 0.4973 0.051 Uiso 1 1 calc R
C4 C 0.7335(8) 1.4575(8) 0.5514(4) 0.0447(17) Uani 1 1 d .
H4 H 0.7234 1.5270 0.5034 0.054 Uiso 1 1 calc R
C5 C 0.8363(6) 1.4785(7) 0.6291(4) 0.0304(12) Uani 1 1 d .
H5 H 0.8903 1.5643 0.6343 0.036 Uiso 1 1 calc R
C6 C 0.8547(5) 1.3712(6) 0.6960(4) 0.0230(11) Uani 1 1 d .
C7 C 0.9687(6) 1.3968(7) 0.7765(4) 0.0256(12) Uani 1 1 d .
C8 C 0.2670(5) 0.6477(6) 0.6885(3) 0.0201(10) Uani 1 1 d .
C9 C 0.1650(5) 0.6662(7) 0.6154(4) 0.0309(12) Uani 1 1 d .
H9 H 0.1078 0.7496 0.6141 0.037 Uiso 1 1 calc R
C10 C 0.1439(7) 0.5638(9) 0.5428(4) 0.0452(18) Uani 1 1 d .
H10 H 0.0775 0.5801 0.4917 0.054 Uiso 1 1 calc R
C11 C 0.2269(7) 0.4352(9) 0.5497(4) 0.0453(18) Uani 1 1 d .
H11 H 0.2126 0.3624 0.5040 0.054 Uiso 1 1 calc R
C12 C 0.3266(7) 0.4163(7) 0.6217(4) 0.0373(14) Uani 1 1 d .
H12 H 0.3792 0.3295 0.6256 0.045 Uiso 1 1 calc R
C13 C 0.3530(5) 0.5233(6) 0.6906(3) 0.0219(11) Uani 1 1 d .
C14 C 0.4712(6) 0.5004(6) 0.7666(4) 0.0259(12) Uani 1 1 d .
O1 O 0.6556(4) 1.0059(4) 0.7629(3) 0.0309(9) Uani 1 1 d .
O2 O 0.9157(4) 1.0171(4) 0.7719(3) 0.0283(9) Uani 1 1 d .
O3 O 0.7856(4) 1.1820(5) 0.8742(2) 0.0327(9) Uani 1 1 d .
O4 O 0.4216(4) 0.8666(5) 0.7737(3) 0.0328(9) Uani 1 1 d .
O5 O 0.3039(4) 0.6852(5) 0.8710(2) 0.0329(9) Uani 1 1 d .
O6 O 0.1600(4) 0.8781(5) 0.7775(3) 0.0319(9) Uani 1 1 d .
O7 O 0.9748(4) 1.5162(5) 0.8157(3) 0.0362(10) Uani 1 1 d .
O8 O 1.0578(4) 1.2930(4) 0.7982(3) 0.0279(8) Uani 1 1 d .
O9 O 0.5619(4) 0.5989(4) 0.7860(3) 0.0286(8) Uani 1 1 d U
O10 O 0.4779(4) 0.3767(5) 0.8098(3) 0.0356(10) Uani 1 1 d .
O11 O 0.5918(5) 0.7797(5) 0.6283(3) 0.0417(10) Uani 1 1 d U
O12 O 0.4311(4) 0.5662(5) 1.0332(3) 0.0397(10) Uani 1 1 d .
O13 O 1.1096(5) 1.1097(5) 0.6507(3) 0.0429(10) Uani 1 1 d .
O1W O 0.8059(4) 0.7504(5) 0.7859(3) 0.0343(10) Uani 1 1 d .
H1WA H 0.8590 0.8226 0.7750 0.052 Uiso 1 1 d R
H1WB H 0.8313 0.6738 0.7577 0.052 Uiso 1 1 d R
O2W O 0.1663(5) 0.4772(5) 0.9749(3) 0.0447(12) Uani 1 1 d .
H2WA H 0.2161 0.3994 0.9836 0.067 Uiso 1 1 d R
H2WB H 0.1320 0.4815 0.9180 0.067 Uiso 1 1 d R
O3W O 0.0801(4) 0.7661(5) 0.9629(3) 0.0436(12) Uani 1 1 d .
H3WA H 0.0185 0.7000 0.9477 0.065 Uiso 1 1 d R
H3WB H 0.0875 0.8228 0.9165 0.065 Uiso 1 1 d R
O4W O 0.3673(5) 0.8663(5) 1.0289(3) 0.0409(11) Uani 1 1 d U
H4WA H 0.4547 0.8616 1.0478 0.061 Uiso 1 1 d R
H4WB H 0.3560 0.9154 0.9782 0.061 Uiso 1 1 d R
O5W O 1.3134(4) 1.1394(5) 0.8029(3) 0.0326(9) Uani 1 1 d .
H5WB H 1.3163 1.2156 0.8377 0.049 Uiso 1 1 d R
H5WA H 1.3510 1.0668 0.8337 0.049 Uiso 1 1 d R
O6W O 1.1008(5) 1.0652(6) 0.9255(3) 0.0522(12) Uani 1 1 d .
H6WA H 1.0179 1.0421 0.9371 0.078 Uiso 1 1 d R
H6WB H 1.1237 1.1477 0.9511 0.078 Uiso 1 1 d R
O7W O 0.6842(6) 0.7167(7) 0.9769(4) 0.0692(16) Uani 1 1 d .
H7WA H 0.6119 0.6731 0.9936 0.083 Uiso 1 1 d R
H7WB H 0.6753 0.7271 0.9177 0.104 Uiso 1 1 d 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'
P P 0.1023 0.0942 '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
O11 V1 O4 108.9(2) . .
O11 V1 O1 106.4(2) . .
O4 V1 O1 82.32(17) . .
O11 V1 O9 104.6(2) . .
O4 V1 O9 88.68(17) . .
O1 V1 O9 148.95(17) . .
O11 V1 O1W 106.7(2) . .
O4 V1 O1W 144.32(19) . .
O1 V1 O1W 85.96(18) . .
O9 V1 O1W 84.26(17) . .
O12 V2 O3 102.89(19) . 2_647
O12 V2 O5 100.38(19) . .
O3 V2 O5 156.56(19) 2_647 .
O12 V2 O2W 95.9(2) . .
O3 V2 O2W 91.21(18) 2_647 .
O5 V2 O2W 89.17(18) . .
O12 V2 O4W 99.4(2) . .
O3 V2 O4W 84.55(18) 2_647 .
O5 V2 O4W 88.95(18) . .
O2W V2 O4W 164.7(2) . .
O12 V2 O3W 174.7(2) . .
O3 V2 O3W 77.57(16) 2_647 .
O5 V2 O3W 79.52(16) . .
O2W V2 O3W 78.8(2) . .
O4W V2 O3W 85.89(19) . .
O13 V3 O2 103.5(2) . .
O13 V3 O6 102.9(2) . 1_655
O2 V3 O6 83.88(16) . 1_655
O13 V3 O8 101.0(2) . .
O2 V3 O8 91.33(16) . .
O6 V3 O8 156.05(17) 1_655 .
O13 V3 O5W 100.0(2) . .
O2 V3 O5W 156.23(18) . .
O6 V3 O5W 87.63(16) 1_655 .
O8 V3 O5W 87.47(16) . .
O13 V3 O6W 177.6(2) . .
O2 V3 O6W 75.89(17) . .
O6 V3 O6W 79.34(18) 1_655 .
O8 V3 O6W 76.73(17) . .
O5W V3 O6W 80.74(17) . .
O1 P1 O3 112.1(2) . .
O1 P1 O2 109.2(2) . .
O3 P1 O2 111.1(2) . .
O1 P1 C1 108.0(2) . .
O3 P1 C1 108.0(2) . .
O2 P1 C1 108.4(2) . .
O5 P2 O6 112.9(2) . .
O5 P2 O4 110.9(2) . .
O6 P2 O4 110.2(2) . .
O5 P2 C8 105.8(2) . .
O6 P2 C8 108.9(2) . .
O4 P2 C8 107.9(2) . .
C2 C1 C6 118.0(5) . .
C2 C1 P1 119.1(4) . .
C6 C1 P1 122.9(4) . .
C3 C2 C1 120.2(6) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C4 C3 C2 121.8(6) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C5 119.7(6) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 119.2(6) . .
C6 C5 H5 120.4 . .
C4 C5 H5 120.4 . .
C5 C6 C1 121.0(5) . .
C5 C6 C7 117.2(5) . .
C1 C6 C7 121.7(5) . .
O7 C7 O8 122.6(5) . .
O7 C7 C6 118.9(5) . .
O8 C7 C6 118.4(5) . .
C9 C8 C13 119.2(5) . .
C9 C8 P2 121.4(4) . .
C13 C8 P2 119.4(4) . .
C8 C9 C10 122.0(6) . .
C8 C9 H9 119.0 . .
C10 C9 H9 119.0 . .
C9 C10 C11 117.4(6) . .
C9 C10 H10 121.3 . .
C11 C10 H10 121.3 . .
C12 C11 C10 120.6(6) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C11 C12 C13 121.6(6) . .
C11 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C12 C13 C8 119.0(5) . .
C12 C13 C14 119.3(5) . .
C8 C13 C14 121.6(5) . .
O9 C14 O10 121.0(5) . .
O9 C14 C13 120.9(5) . .
O10 C14 C13 118.1(5) . .
P1 O1 V1 142.2(3) . .
P1 O2 V3 129.2(2) . .
P1 O3 V2 139.0(3) . 2_657
P2 O4 V1 128.8(3) . .
P2 O5 V2 152.4(3) . .
P2 O6 V3 140.7(2) . 1_455
C7 O8 V3 141.2(4) . .
C14 O9 V1 136.5(4) . .
V1 O1W H1WA 109.5 . .
V1 O1W H1WB 108.7 . .
H1WA O1W H1WB 109.5 . .
V2 O2W H2WA 108.8 . .
V2 O2W H2WB 109.3 . .
H2WA O2W H2WB 109.5 . .
V2 O3W H3WA 109.4 . .
V2 O3W H3WB 109.4 . .
H3WA O3W H3WB 109.5 . .
V2 O4W H4WA 108.9 . .
V2 O4W H4WB 109.4 . .
H4WA O4W H4WB 109.5 . .
V3 O5W H5WB 109.6 . .
V3 O5W H5WA 109.0 . .
H5WB O5W H5WA 109.5 . .
V3 O6W H6WA 109.8 . .
V3 O6W H6WB 108.7 . .
H6WA O6W H6WB 109.5 . .
H7WA O7W H7WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O11 1.570(4) .
V1 O4 1.959(4) .
V1 O1 1.961(4) .
V1 O9 1.993(4) .
V1 O1W 2.030(4) .
V2 O12 1.578(4) .
V2 O3 1.956(4) 2_647
V2 O5 1.967(4) .
V2 O2W 2.033(4) .
V2 O4W 2.046(5) .
V2 O3W 2.272(4) .
V3 O13 1.570(4) .
V3 O2 1.973(4) .
V3 O6 1.976(4) 1_655
V3 O8 2.005(4) .
V3 O5W 2.043(4) .
V3 O6W 2.407(5) .
P1 O1 1.499(4) .
P1 O3 1.508(4) .
P1 O2 1.533(4) .
P1 C1 1.780(5) .
P2 O5 1.501(4) .
P2 O6 1.522(4) .
P2 O4 1.527(4) .
P2 C8 1.790(5) .
C1 C2 1.392(7) .
C1 C6 1.410(7) .
C2 C3 1.376(9) .
C2 H2 0.9300 .
C3 C4 1.335(11) .
C3 H3 0.9300 .
C4 C5 1.420(9) .
C4 H4 0.9300 .
C5 C6 1.363(8) .
C5 H5 0.9300 .
C6 C7 1.522(7) .
C7 O7 1.216(7) .
C7 O8 1.283(7) .
C8 C9 1.365(7) .
C8 C13 1.391(7) .
C9 C10 1.394(9) .
C9 H9 0.9300 .
C10 C11 1.404(11) .
C10 H10 0.9300 .
C11 C12 1.342(9) .
C11 H11 0.9300 .
C12 C13 1.388(8) .
C12 H12 0.9300 .
C13 C14 1.501(8) .
C14 O9 1.253(7) .
C14 O10 1.277(7) .
O3 V2 1.956(3) 2_657
O6 V3 1.976(4) 1_455
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
O3W H3WA 0.8500 .
O3W H3WB 0.8500 .
O4W H4WA 0.8500 .
O4W H4WB 0.8500 .
O5W H5WB 0.8500 .
O5W H5WA 0.8499 .
O6W H6WA 0.8500 .
O6W H6WB 0.8500 .
O7W H7WA 0.8500 .
O7W H7WB 0.8501 .
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_4
O1 P1 C1 C2 -10.4(5) . .
O3 P1 C1 C2 -131.8(4) . .
O2 P1 C1 C2 107.7(4) . .
O1 P1 C1 C6 169.5(4) . .
O3 P1 C1 C6 48.1(5) . .
O2 P1 C1 C6 -72.3(5) . .
C6 C1 C2 C3 -1.1(8) . .
P1 C1 C2 C3 178.8(5) . .
C1 C2 C3 C4 0.7(10) . .
C2 C3 C4 C5 -1.9(11) . .
C3 C4 C5 C6 3.7(10) . .
C4 C5 C6 C1 -4.3(8) . .
C4 C5 C6 C7 178.4(5) . .
C2 C1 C6 C5 3.0(8) . .
P1 C1 C6 C5 -176.9(4) . .
C2 C1 C6 C7 -179.8(5) . .
P1 C1 C6 C7 0.3(7) . .
C5 C6 C7 O7 47.0(7) . .
C1 C6 C7 O7 -130.2(6) . .
C5 C6 C7 O8 -130.5(6) . .
C1 C6 C7 O8 52.2(7) . .
O5 P2 C8 C9 134.1(4) . .
O6 P2 C8 C9 12.5(5) . .
O4 P2 C8 C9 -107.1(5) . .
O5 P2 C8 C13 -43.7(4) . .
O6 P2 C8 C13 -165.3(4) . .
O4 P2 C8 C13 75.1(4) . .
C13 C8 C9 C10 0.2(8) . .
P2 C8 C9 C10 -177.6(5) . .
C8 C9 C10 C11 3.5(9) . .
C9 C10 C11 C12 -3.0(10) . .
C10 C11 C12 C13 -1.2(10) . .
C11 C12 C13 C8 4.9(9) . .
C11 C12 C13 C14 -176.5(6) . .
C9 C8 C13 C12 -4.4(8) . .
P2 C8 C13 C12 173.5(4) . .
C9 C8 C13 C14 177.1(5) . .
P2 C8 C13 C14 -5.0(7) . .
C12 C13 C14 O9 129.3(6) . .
C8 C13 C14 O9 -52.2(7) . .
C12 C13 C14 O10 -49.6(7) . .
C8 C13 C14 O10 128.9(6) . .
O3 P1 O1 V1 -120.4(4) . .
O2 P1 O1 V1 3.2(5) . .
C1 P1 O1 V1 120.8(4) . .
O11 V1 O1 P1 -88.6(5) . .
O4 V1 O1 P1 163.8(5) . .
O9 V1 O1 P1 89.4(5) . .
O1W V1 O1 P1 17.6(5) . .
O1 P1 O2 V3 165.0(3) . .
O3 P1 O2 V3 -70.9(4) . .
C1 P1 O2 V3 47.6(4) . .
O13 V3 O2 P1 -86.8(4) . .
O6 V3 O2 P1 171.3(3) 1_655 .
O8 V3 O2 P1 14.8(3) . .
O5W V3 O2 P1 101.6(5) . .
O6W V3 O2 P1 90.8(3) . .
O1 P1 O3 V2 20.3(5) . 2_657
O2 P1 O3 V2 -102.2(4) . 2_657
C1 P1 O3 V2 139.1(4) . 2_657
O5 P2 O4 V1 75.0(4) . .
O6 P2 O4 V1 -159.2(3) . .
C8 P2 O4 V1 -40.5(4) . .
O11 V1 O4 P2 78.5(4) . .
O1 V1 O4 P2 -176.7(4) . .
O9 V1 O4 P2 -26.5(3) . .
O1W V1 O4 P2 -104.7(4) . .
O6 P2 O5 V2 -37.1(6) . .
O4 P2 O5 V2 87.2(6) . .
C8 P2 O5 V2 -156.1(5) . .
O12 V2 O5 P2 -139.3(6) . .
O3 V2 O5 P2 33.7(9) 2_647 .
O2W V2 O5 P2 124.9(6) . .
O4W V2 O5 P2 -39.9(6) . .
O3W V2 O5 P2 46.1(6) . .
O5 P2 O6 V3 126.2(4) . 1_455
O4 P2 O6 V3 1.5(5) . 1_455
C8 P2 O6 V3 -116.6(4) . 1_455
O7 C7 O8 V3 -176.2(4) . .
C6 C7 O8 V3 1.3(9) . .
O13 V3 O8 C7 48.6(6) . .
O2 V3 O8 C7 -55.5(6) . .
O6 V3 O8 C7 -133.3(6) 1_655 .
O5W V3 O8 C7 148.3(6) . .
O6W V3 O8 C7 -130.6(6) . .
O10 C14 O9 V1 176.4(4) . .
C13 C14 O9 V1 -2.5(8) . .
O11 V1 O9 C14 -46.1(6) . .
O4 V1 O9 C14 63.1(5) . .
O1 V1 O9 C14 135.8(5) . .
O1W V1 O9 C14 -151.9(5) . .
