#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/92/2019278.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_2019278
loop_
_publ_author_name
'Kohl, Julia'
'Wiedemann, Dennis'
_publ_section_title
;
 (OC-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
;
_journal_coeditor_code           EG3138
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1482
_journal_page_last               1484
_journal_paper_doi               10.1107/S0108270113029776
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[V (C3 H7 O) F2 O (C3 H8 O)2]'
_chemical_formula_moiety         'C9 H23 F2 O4 V'
_chemical_formula_structural
'F2 O (O (C H (C H3)2)) (O H (C H (C H3)2))2 V'
_chemical_formula_sum            'C9 H23 F2 O4 V'
_chemical_formula_weight         284.21
_chemical_name_systematic
;
(OC-6--13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                97.315(7)
_cell_angle_beta                 97.690(7)
_cell_angle_gamma                92.324(7)
_cell_formula_units_Z            4
_cell_length_a                   9.0943(9)
_cell_length_b                   9.9151(8)
_cell_length_c                   16.4279(13)
_cell_measurement_reflns_used    2615
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      32.5898
_cell_measurement_theta_min      3.4772
_cell_volume                     1453.5(2)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
;
WinGX (Farrugia, 2012), Mercury (Macrae et al., 2008), PLATON/MOLFIT (Spek,
2009), PLATON/PLUTON (Spek, 2009) and CSM website (Zayit et al., 2011)
;
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector_area_resol_mean 16.3031
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Agilent Xcalibur'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10818
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.477
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[CrysAlis PRO (Agilent, 2012), based on expressions derived by
Clark & Reid (1995)]
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       coloumn
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.887
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.137
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.528
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    heteroxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5702
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0393P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                4505
_reflns_number_total             5702
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            eg3138.cif
_cod_data_source_block           I
_cod_database_code               2019278
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.575
_shelx_estimated_absorpt_t_max   0.910
_shelxl_version_number           .2013
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_occupancy
C C30 0.8503(4) 0.3139(4) -0.0785(2) 0.0415(9) Uani d 1
H H30A 0.9509 0.3527 -0.0568 0.062 Uiso calc 1
H H30B 0.7922 0.3827 -0.1038 0.062 Uiso calc 1
H H30C 0.8560 0.2352 -0.1204 0.062 Uiso calc 1
C C31 0.7763(3) 0.2691(3) -0.00849(18) 0.0251(7) Uani d 1
H H31 0.6740 0.2291 -0.0309 0.030 Uiso calc 1
C C32 0.7665(4) 0.3851(4) 0.0593(2) 0.0416(9) Uani d 1
H H32A 0.7269 0.3497 0.1056 0.062 Uiso calc 1
H H32B 0.7004 0.4519 0.0377 0.062 Uiso calc 1
H H32C 0.8657 0.4288 0.0787 0.062 Uiso calc 1
C C40 0.6679(4) -0.3120(4) -0.0916(2) 0.0432(9) Uani d 1
H H40A 0.6861 -0.3383 -0.0358 0.065 Uiso calc 1
H H40B 0.7073 -0.3796 -0.1307 0.065 Uiso calc 1
H H40C 0.5608 -0.3077 -0.1082 0.065 Uiso calc 1
C C41 0.7441(3) -0.1747(3) -0.09197(17) 0.0257(7) Uani d 1
H H41 0.8530 -0.1814 -0.0748 0.031 Uiso calc 1
C C42 0.7232(4) -0.1247(4) -0.17588(18) 0.0363(8) Uani d 1
H H42A 0.6171 -0.1158 -0.1935 0.054 Uiso calc 1
H H42B 0.7620 -0.1901 -0.2165 0.054 Uiso calc 1
H H42C 0.7769 -0.0359 -0.1720 0.054 Uiso calc 1
C C50 0.5413(4) -0.2150(5) 0.2175(2) 0.0653(15) Uani d 1
H H50A 0.4750 -0.1436 0.2029 0.098 Uiso calc 1
H H50B 0.5331 -0.2327 0.2741 0.098 Uiso calc 1
H H50C 0.5131 -0.2985 0.1788 0.098 Uiso calc 1
C C51 0.6989(3) -0.1691(3) 0.21226(17) 0.0265(7) Uani d 1
H H51 0.7284 -0.0867 0.2540 0.032 Uiso calc 1
C C52 0.8081(4) -0.2747(4) 0.2266(2) 0.0449(10) Uani d 1
H H52A 0.7798 -0.3562 0.1861 0.067 Uiso calc 1
H H52B 0.8089 -0.2984 0.2827 0.067 Uiso calc 1
H H52C 0.9075 -0.2390 0.2202 0.067 Uiso calc 1
O O12 0.8434(2) 0.0957(2) 0.18653(11) 0.0262(5) Uani d 1
O O33 0.8619(2) 0.1671(2) 0.02944(12) 0.0215(5) Uani d 1
H H33 0.910(3) 0.128(3) -0.0003(15) 0.026 Uiso d 1
O O43 0.6905(2) -0.0755(2) -0.03202(11) 0.0239(5) Uani d 1
H H43 0.6025(19) -0.070(3) -0.0444(16) 0.029 Uiso d 1
O O53 0.7037(2) -0.1323(2) 0.13039(11) 0.0236(5) Uani d 1
F F10 0.95277(16) -0.05790(17) 0.07061(9) 0.0238(4) Uani d 1
F F11 0.60516(15) 0.09967(18) 0.07997(10) 0.0251(4) Uani d 1
V V1 0.78003(5) 0.01389(5) 0.09899(3) 0.01807(13) Uani d 1
C C60 0.7591(4) 0.2460(5) 0.4056(2) 0.0567(12) Uani d 1
H H60A 0.8345 0.2659 0.4548 0.085 Uiso calc 1
H H60B 0.7966 0.1817 0.3640 0.085 Uiso calc 1
H H60C 0.6683 0.2060 0.4212 0.085 Uiso calc 1
C C61 0.7257(3) 0.3742(4) 0.37068(19) 0.0321(8) Uani d 1
H H61 0.8204 0.4141 0.3566 0.039 Uiso calc 1
C C62 0.6148(4) 0.3516(4) 0.2929(2) 0.0488(11) Uani d 1
H H62A 0.5205 0.3132 0.3053 0.073 Uiso calc 1
H H62B 0.6530 0.2883 0.2510 0.073 Uiso calc 1
H H62C 0.5985 0.4387 0.2718 0.073 Uiso calc 1
C C70 0.9422(3) 0.5670(4) 0.73560(19) 0.0399(9) Uani d 1
H H70A 1.0157 0.4988 0.7273 0.060 Uiso calc 1
H H70B 0.9076 0.5630 0.7893 0.060 Uiso calc 1
H H70C 0.9878 0.6579 0.7346 0.060 Uiso calc 1
C C71 0.8115(3) 0.5382(3) 0.66699(17) 0.0241(7) Uani d 1
H H71 0.7383 0.6088 0.6773 0.029 Uiso calc 1
C C72 0.7339(4) 0.4012(4) 0.6657(2) 0.0515(10) Uani d 1
H H72A 0.6529 0.3859 0.6192 0.077 Uiso calc 1
H H72B 0.6934 0.3981 0.7178 0.077 Uiso calc 1
H H72C 0.8049 0.3302 0.6593 0.077 Uiso calc 1
C C80 0.9360(4) 1.0323(4) 0.6110(3) 0.0494(10) Uani d 1
H H80A 0.9445 1.0163 0.6690 0.074 Uiso calc 1
H H80B 0.9271 1.1297 0.6078 0.074 Uiso calc 1
H H80C 1.0246 1.0021 0.5876 0.074 Uiso calc 1
C C81 0.7993(3) 0.9530(3) 0.5622(2) 0.0296(7) Uani d 1
H H81 0.7887 0.9726 0.5036 0.036 Uiso calc 1
C C82 0.6575(3) 0.9858(4) 0.5978(2) 0.0423(9) Uani d 1
H H82A 0.5740 0.9288 0.5653 0.063 Uiso calc 1
H H82B 0.6391 1.0820 0.5956 0.063 Uiso calc 1
H H82C 0.6678 0.9678 0.6555 0.063 Uiso calc 1
O O22 0.6793(2) 0.7502(2) 0.41889(12) 0.0336(6) Uani d 1
O O63 0.6726(2) 0.4712(3) 0.43103(14) 0.0372(6) Uani d 1
H H63 0.593(2) 0.442(3) 0.4392(19) 0.045 Uiso d 1
O O73 0.8580(2) 0.5506(2) 0.58798(12) 0.0260(5) Uani d 1
H H73 0.918(3) 0.496(3) 0.5773(17) 0.031 Uiso d 1
O O83 0.8222(2) 0.8103(2) 0.56364(11) 0.0240(5) Uani d 1
F F20 0.92143(16) 0.62287(18) 0.44693(9) 0.0250(4) Uani d 1
F F21 0.58303(16) 0.63762(18) 0.53906(10) 0.0277(4) Uani d 1
V V2 0.75177(5) 0.67038(5) 0.49047(3) 0.02055(14) Uani d 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_publ_flag
C31 C30 H30A 109.5 n
C31 C30 H30B 109.5 n
H30A C30 H30B 109.5 n
C31 C30 H30C 109.5 n
H30A C30 H30C 109.5 n
H30B C30 H30C 109.5 n
O33 C31 C32 106.8(2) n
O33 C31 C30 109.9(2) n
C32 C31 C30 112.4(3) n
O33 C31 H31 109.2 n
C32 C31 H31 109.2 n
C30 C31 H31 109.2 n
C31 C32 H32A 109.5 n
C31 C32 H32B 109.5 n
H32A C32 H32B 109.5 n
C31 C32 H32C 109.5 n
H32A C32 H32C 109.5 n
H32B C32 H32C 109.5 n
C41 C40 H40A 109.5 n
C41 C40 H40B 109.5 n
H40A C40 H40B 109.5 n
C41 C40 H40C 109.5 n
H40A C40 H40C 109.5 n
H40B C40 H40C 109.5 n
O43 C41 C40 109.7(2) n
O43 C41 C42 109.0(3) n
C40 C41 C42 113.7(3) n
O43 C41 H41 108.1 n
C40 C41 H41 108.1 n
C42 C41 H41 108.1 n
C41 C42 H42A 109.5 n
C41 C42 H42B 109.5 n
H42A C42 H42B 109.5 n
C41 C42 H42C 109.5 n
H42A C42 H42C 109.5 n
H42B C42 H42C 109.5 n
C51 C50 H50A 109.5 n
C51 C50 H50B 109.5 n
H50A C50 H50B 109.5 n
C51 C50 H50C 109.5 n
H50A C50 H50C 109.5 n
H50B C50 H50C 109.5 n
O53 C51 C52 108.4(2) n
O53 C51 C50 107.8(2) n
C52 C51 C50 114.0(3) n
O53 C51 H51 108.9 n
C52 C51 H51 108.9 n
C50 C51 H51 108.9 n
C51 C52 H52A 109.5 n
C51 C52 H52B 109.5 n
H52A C52 H52B 109.5 n
C51 C52 H52C 109.5 n
H52A C52 H52C 109.5 n
H52B C52 H52C 109.5 n
C31 O33 V1 126.82(15) n
C31 O33 H33 113(2) n
V1 O33 H33 105(2) n
C41 O43 V1 133.21(16) n
C41 O43 H43 109(2) n
V1 O43 H43 114.6(19) n
C51 O53 V1 130.57(19) n
O12 V1 O53 99.80(10) y
O12 V1 F10 99.20(9) y
O53 V1 F10 97.45(8) y
O12 V1 F11 98.62(9) y
O53 V1 F11 97.01(8) y
F10 V1 F11 154.73(7) y
O12 V1 O33 94.30(10) y
O53 V1 O33 165.77(9) y
F10 V1 O33 78.23(7) y
F11 V1 O33 82.71(7) y
O12 V1 O43 172.37(10) y
O53 V1 O43 87.31(9) y
F10 V1 O43 82.49(7) y
F11 V1 O43 77.61(7) y
O33 V1 O43 78.72(8) y
C61 C60 H60A 109.5 n
C61 C60 H60B 109.5 n
H60A C60 H60B 109.5 n
C61 C60 H60C 109.5 n
H60A C60 H60C 109.5 n
H60B C60 H60C 109.5 n
O63 C61 C60 110.6(3) n
O63 C61 C62 109.6(3) n
C60 C61 C62 112.8(3) n
O63 C61 H61 107.9 n
C60 C61 H61 107.9 n
C62 C61 H61 107.9 n
C61 C62 H62A 109.5 n
C61 C62 H62B 109.5 n
H62A C62 H62B 109.5 n
C61 C62 H62C 109.5 n
H62A C62 H62C 109.5 n
H62B C62 H62C 109.5 n
C71 C70 H70A 109.5 n
C71 C70 H70B 109.5 n
H70A C70 H70B 109.5 n
C71 C70 H70C 109.5 n
H70A C70 H70C 109.5 n
H70B C70 H70C 109.5 n
O73 C71 C72 110.5(3) n
O73 C71 C70 110.6(2) n
C72 C71 C70 112.5(3) n
O73 C71 H71 107.7 n
C72 C71 H71 107.7 n
C70 C71 H71 107.7 n
C71 C72 H72A 109.5 n
C71 C72 H72B 109.5 n
H72A C72 H72B 109.5 n
C71 C72 H72C 109.5 n
H72A C72 H72C 109.5 n
H72B C72 H72C 109.5 n
C81 C80 H80A 109.5 n
C81 C80 H80B 109.5 n
H80A C80 H80B 109.5 n
C81 C80 H80C 109.5 n
H80A C80 H80C 109.5 n
H80B C80 H80C 109.5 n
O83 C81 C80 107.4(3) n
O83 C81 C82 108.7(3) n
C80 C81 C82 113.2(3) n
O83 C81 H81 109.2 n
C80 C81 H81 109.2 n
C82 C81 H81 109.2 n
C81 C82 H82A 109.5 n
C81 C82 H82B 109.5 n
H82A C82 H82B 109.5 n
C81 C82 H82C 109.5 n
H82A C82 H82C 109.5 n
H82B C82 H82C 109.5 n
C61 O63 V2 133.84(18) n
C61 O63 H63 108(2) n
V2 O63 H63 118(2) n
C71 O73 V2 126.96(15) n
C71 O73 H73 111(2) n
V2 O73 H73 121(2) n
C81 O83 V2 129.26(19) n
O22 V2 O83 98.83(11) y
O22 V2 F20 98.47(9) y
O83 V2 F20 100.51(8) y
O22 V2 F21 98.67(9) y
O83 V2 F21 95.14(8) y
F20 V2 F21 154.66(8) y
O22 V2 O63 96.21(11) y
O83 V2 O63 164.06(10) y
F20 V2 O63 82.38(7) y
F21 V2 O63 77.34(7) y
O22 V2 O73 177.56(9) y
O83 V2 O73 83.05(9) y
F20 V2 O73 79.61(7) y
F21 V2 O73 82.67(7) y
O63 V2 O73 82.07(9) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C30 C31 1.512(4) n
C30 H30A 0.9800 n
C30 H30B 0.9800 n
C30 H30C 0.9800 n
C31 O33 1.453(3) n
C31 C32 1.510(4) n
C31 H31 1.0000 n
C32 H32A 0.9800 n
C32 H32B 0.9800 n
C32 H32C 0.9800 n
C40 C41 1.503(5) n
C40 H40A 0.9800 n
C40 H40B 0.9800 n
C40 H40C 0.9800 n
C41 O43 1.448(3) n
C41 C42 1.514(4) n
C41 H41 1.0000 n
C42 H42A 0.9800 n
C42 H42B 0.9800 n
C42 H42C 0.9800 n
C50 C51 1.503(4) n
C50 H50A 0.9800 n
C50 H50B 0.9800 n
C50 H50C 0.9800 n
C51 O53 1.443(3) n
C51 C52 1.492(4) n
C51 H51 1.0000 n
C52 H52A 0.9800 n
C52 H52B 0.9800 n
C52 H52C 0.9800 n
O12 V1 1.581(2) y
O33 V1 2.178(2) y
O33 H33 0.778(16) n
O43 V1 2.2513(19) y
O43 H43 0.804(16) n
O53 V1 1.747(2) y
F10 V1 1.8423(14) y
F11 V1 1.8424(15) y
C60 C61 1.486(5) n
C60 H60A 0.9800 n
C60 H60B 0.9800 n
C60 H60C 0.9800 n
C61 O63 1.437(3) n
C61 C62 1.505(4) n
C61 H61 1.0000 n
C62 H62A 0.9800 n
C62 H62B 0.9800 n
C62 H62C 0.9800 n
C70 C71 1.515(4) n
C70 H70A 0.9800 n
C70 H70B 0.9800 n
C70 H70C 0.9800 n
C71 O73 1.436(3) n
C71 C72 1.502(5) n
C71 H71 1.0000 n
C72 H72A 0.9800 n
C72 H72B 0.9800 n
C72 H72C 0.9800 n
C80 C81 1.516(4) n
C80 H80A 0.9800 n
C80 H80B 0.9800 n
C80 H80C 0.9800 n
C81 O83 1.441(4) n
C81 C82 1.515(4) n
C81 H81 1.0000 n
C82 H82A 0.9800 n
C82 H82B 0.9800 n
C82 H82C 0.9800 n
O22 V2 1.586(2) y
O63 V2 2.139(2) y
O63 H63 0.805(17) n
O73 V2 2.253(2) y
O73 H73 0.800(17) n
O83 V2 1.754(2) y
F20 V2 1.8391(14) y
F21 V2 1.8578(15) y
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
O33 H33 F10 2_755 0.778(16) 1.903(17) 2.674(2) 171(3) y
O43 H43 F11 2_655 0.804(16) 1.900(18) 2.690(2) 168(3) y
O63 H63 F21 2_666 0.805(17) 1.852(18) 2.655(3) 175(4) y
O73 H73 F20 2_766 0.800(17) 1.967(17) 2.765(2) 175(3) y
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_publ_flag
C32 C31 O33 V1 81.7(3) n
C30 C31 O33 V1 -156.1(2) n
C40 C41 O43 V1 98.4(3) n
C42 C41 O43 V1 -136.6(2) n
C52 C51 O53 V1 -105.7(3) n
C50 C51 O53 V1 130.4(3) n
C51 O53 V1 O12 0.1(2) n
C51 O53 V1 F10 100.8(2) n
C51 O53 V1 F11 -100.0(2) n
C51 O53 V1 O33 172.1(3) n
C51 O53 V1 O43 -177.1(2) n
C60 C61 O63 V2 118.6(3) n
C62 C61 O63 V2 -116.6(3) n
C72 C71 O73 V2 104.5(3) n
C70 C71 O73 V2 -130.3(2) n
C80 C81 O83 V2 -151.4(2) n
C82 C81 O83 V2 85.8(3) n
C81 O83 V2 O22 8.3(2) n
C81 O83 V2 F20 108.7(2) n
C81 O83 V2 F21 -91.4(2) n
C81 O83 V2 O63 -152.2(3) n
C81 O83 V2 O73 -173.3(2) n
