#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/64/7106417.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_7106417
loop_
_publ_author_name
'Eleni Kotsapa'
'Mark T. Weller'
_publ_section_title
;
 Vanadium fluoroarsenates-folding sheets into highly corrugated layers and
 crystalline arrays of large inorganic tubes
;
_journal_issue                   21
_journal_name_full               Chem.Commun.
_journal_page_first              6132
_journal_page_last               6134
_journal_paper_doi               10.1039/c1cc11513h
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'As12 F27 O99.69 V36'
_chemical_formula_weight         4840.92
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   32.3426(8)
_cell_length_b                   32.3426(8)
_cell_length_c                   10.6928(4)
_cell_measurement_reflns_used    141811
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     9686.6(5)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics
;
Images generated using CrystalMaker: a crystal and molecular
structures program for Mac and Windows. CrystalMaker Software Ltd,
Oxford, England (www.crystalmaker.com)
;
_computing_publication_material  'WINGX (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-Nonius CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans to fill the asymmetric unit'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker Nonius FR591 Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1600
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6027
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.16
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.770
_exptl_absorpt_correction_T_max  0.9633
_exptl_absorpt_correction_T_min  0.8638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS V2.10 (Sheldrick, G.M., 2003)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4582
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.505
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6027
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.1736
_refine_ls_R_factor_gt           0.1006
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1691P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2663
_refine_ls_wR_factor_ref         0.2950
_reflns_number_gt                2644
_reflns_number_total             6027
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c1cc11513h.txt
_cod_data_source_block           2009ek00210
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               7106417
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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_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
V6A V 0.0857(3) 0.2577(3) 0.4213(7) 0.0947(11) Uani 0.50 1 d P . 1
V6B V 0.0018(3) 0.2278(3) 0.4231(7) 0.0947(11) Uani 0.50 1 d P . 1
V6C V 0.1143(3) 0.2874(3) 0.3566(7) 0.0947(11) Uani 0.50 1 d P . 1
V6D V -0.0202(3) 0.2387(3) 0.3586(7) 0.0947(11) Uani 0.50 1 d P . 1
As1 As -0.03838(7) 0.32215(8) 0.2500 0.0559(6) Uani 1 2 d S . .
As2 As -0.17995(6) 0.33284(6) 0.49980(14) 0.0615(5) Uani 1 1 d . . .
As3 As 0.16605(7) 0.39546(8) 0.2500 0.0516(6) Uani 1 2 d SD . .
V1 V -0.06938(8) 0.38856(9) 0.39722(18) 0.0494(7) Uani 1 1 d . . .
V2 V -0.14904(12) 0.40034(11) 0.2500 0.0475(9) Uani 1 2 d S . .
V3 V 0.32310(12) 0.56618(12) 0.2500 0.0516(9) Uani 1 2 d S . .
V4 V 0.22867(9) 0.49397(10) 0.39929(19) 0.0536(7) Uani 1 1 d . . .
V5 V 0.06126(11) 0.34623(12) 0.3856(3) 0.0806(10) Uani 1 1 d . . .
O1 O 0.0221(4) 0.3569(6) 0.2500 0.068(4) Uani 1 2 d SU . .
O2 O -0.0563(7) 0.2637(7) 0.2500 0.059(7) Uani 1 2 d SU . .
O3 O -0.0603(4) 0.3325(4) 0.3830(10) 0.078(3) Uani 1 1 d U . .
O4 O -0.0288(3) 0.4192(4) 0.5000(9) 0.077(3) Uani 1 1 d U . .
O5 O -0.1225(4) 0.3488(4) 0.5062(9) 0.082(3) Uani 1 1 d U . .
O6 O -0.1660(5) 0.4398(5) 0.2500 0.070(4) Uani 1 2 d SU . .
O7 O -0.1928(3) 0.3557(3) 0.3727(9) 0.067(3) Uani 1 1 d U . .
O8 O -0.1921(4) 0.3548(3) 0.6309(10) 0.072(3) Uani 1 1 d U . .
O9 O 0.2722(3) 0.4846(4) 0.5063(9) 0.074(3) Uani 1 1 d U . .
O10 O 0.3574(5) 0.6227(6) 0.2500 0.077(4) Uani 1 2 d SU . .
O11 O 0.1967(4) 0.5006(5) 0.5032(8) 0.086(4) Uani 1 1 d U . .
O12 O 0.1940(3) 0.4232(4) 0.3793(8) 0.065(3) Uani 1 1 d U . .
O13 O 0.1628(5) 0.3426(4) 0.2500 0.092(5) Uani 1 2 d SDU . .
O14 O 0.1092(4) 0.3866(6) 0.2500 0.066(4) Uani 1 2 d SU . .
O15 O 0.0690(4) 0.3815(4) 0.4896(9) 0.074(3) Uani 1 1 d U . .
O16 O 0.0060(5) 0.2871(5) 0.4444(16) 0.134(6) Uani 1 1 d U . .
O17 O 0.1006(5) 0.3208(5) 0.4586(11) 0.112(4) Uani 1 1 d U . .
F1 F 0.0528(4) 0.2935(5) 0.2500 0.082(4) Uani 1 2 d S . .
F2 F -0.0348(4) 0.4125(4) 0.2500 0.059(3) Uani 1 2 d S . .
F3 F -0.0999(3) 0.4264(3) 0.3726(7) 0.075(3) Uani 1 1 d . . .
F4 F -0.1211(3) 0.3495(4) 0.2500 0.058(3) Uani 1 2 d S . .
F5 F 0.1991(3) 0.4976(4) 0.2500 0.051(3) Uani 1 2 d S . .
F6 F 0.2719(3) 0.4892(4) 0.2500 0.049(3) Uani 1 2 d S . .
F7 F 0.2795(3) 0.5590(3) 0.3776(8) 0.079(3) Uani 1 1 d . . .
OX1 O -0.0129(13) 0.2495(13) 0.2500 0.034(16) Uiso 0.31(4) 2 d SP . .
OX2 O -0.0278(16) 0.2028(18) 0.2500 0.10(2) Uiso 0.40(5) 2 d SP . .
OX4 O 0.107(3) 0.260(3) 0.2500 0.20(5) Uiso 0.42(9) 2 d SP . .
OX5 O 0.1507(16) 0.2778(15) 0.438(4) 0.15(2) Uiso 0.40(4) 1 d P . .
OX6 O -0.035(2) 0.191(2) 0.532(5) 0.09(3) Uiso 0.20(4) 1 d P . .
OX7 O 0.1126(18) 0.2443(19) 0.557(5) 0.07(2) Uiso 0.19(3) 1 d P . .
OX9 O -0.067(2) 0.196(2) 0.429(6) 0.13(3) Uiso 0.26(4) 1 d P . .
OX10 O 0.0425(4) 0.2339(4) 0.4327(9) 0.064(3) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
As As 0.0499 2.0058 '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'
C C 0.0033 0.0016 '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'
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
V6C V6A OX10 139.7(9) . . ?
V6C V6A OX7 112.6(18) . . ?
OX10 V6A OX7 107.4(17) . . ?
V6C V6A OX5 58.8(14) . . ?
OX10 V6A OX5 160.8(15) . . ?
OX7 V6A OX5 55(2) . . ?
V6C V6A O17 64.3(6) . . ?
OX10 V6A O17 104.6(8) . . ?
OX7 V6A O17 101.1(17) . . ?
OX5 V6A O17 88.2(14) . . ?
V6C V6A OX4 45(2) . . ?
OX10 V6A OX4 113(2) . . ?
OX7 V6A OX4 123(3) . . ?
OX5 V6A OX4 76(3) . . ?
O17 V6A OX4 106(2) . . ?
V6C V6A V6B 127.5(7) . . ?
OX10 V6A V6B 13.8(6) . . ?
OX7 V6A V6B 118.2(17) . . ?
OX5 V6A V6B 173.4(14) . . ?
O17 V6A V6B 93.4(5) . . ?
OX4 V6A V6B 110(2) . . ?
V6C V6A V6C 36.2(4) . 10_556 ?
OX10 V6A V6C 111.1(6) . 10_556 ?
OX7 V6A V6C 135.8(17) . 10_556 ?
OX5 V6A V6C 82.8(13) . 10_556 ?
O17 V6A V6C 89.5(5) . 10_556 ?
OX4 V6A V6C 18(2) . 10_556 ?
V6B V6A V6C 103.6(3) . 10_556 ?
V6D V6B OX10 139.8(9) . . ?
V6D V6B OX6 109(2) . . ?
OX10 V6B OX6 112(2) . . ?
V6D V6B O16 60.3(7) . . ?
OX10 V6B O16 107.5(8) . . ?
OX6 V6B O16 109(2) . . ?
V6D V6B OX9 57.5(18) . . ?
OX10 V6B OX9 160(2) . . ?
OX6 V6B OX9 52(3) . . ?
O16 V6B OX9 90.8(19) . . ?
V6D V6B OX2 49.5(14) . . ?
OX10 V6B OX2 112.7(14) . . ?
OX6 V6B OX2 109(2) . . ?
O16 V6B OX2 107.2(15) . . ?
OX9 V6B OX2 69(2) . . ?
V6D V6B OX1 27.0(10) . . ?
OX10 V6B OX1 114.7(11) . . ?
OX6 V6B OX1 131(2) . . ?
O16 V6B OX1 71.3(11) . . ?
OX9 V6B OX1 79(2) . . ?
V6D V6B V6A 128.0(7) . . ?
OX6 V6B V6A 123(2) . . ?
O16 V6B V6A 95.8(6) . . ?
OX9 V6B V6A 173.1(18) . . ?
OX2 V6B V6A 111.3(12) . . ?
OX1 V6B V6A 104.9(10) . . ?
V6A V6C OX4 98(3) . . ?
V6A V6C OX5 82.8(16) . . ?
OX4 V6C OX5 102(3) . . ?
V6A V6C O17 78.4(7) . . ?
OX4 V6C O17 154(3) . . ?
OX5 V6C O17 102.7(17) . . ?
V6A V6C O13 175.9(7) . . ?
OX4 V6C O13 85(3) . . ?
OX5 V6C O13 98.8(16) . . ?
O17 V6C O13 97.5(6) . . ?
OX4 V6C OX10 92(3) . . ?
OX5 V6C OX10 103.2(16) . . ?
O17 V6C OX10 76.4(6) . . ?
O13 V6C OX10 157.9(6) . . ?
V6A V6C V6C 126.2(5) . 10_556 ?
OX5 V6C V6C 122.5(16) . 10_556 ?
O17 V6C V6C 128.8(5) . 10_556 ?
O13 V6C V6C 55.9(3) . 10_556 ?
OX10 V6C V6C 111.3(3) . 10_556 ?
V6A V6C F1 90.1(6) . . ?
OX4 V6C F1 78(3) . . ?
OX5 V6C F1 172.9(16) . . ?
O17 V6C F1 76.5(6) . . ?
O13 V6C F1 88.2(5) . . ?
OX10 V6C F1 69.7(4) . . ?
V6C V6C F1 61.4(2) 10_556 . ?
V6A V6C V6A 108.6(7) . 10_556 ?
OX5 V6C V6A 125.8(16) . 10_556 ?
O17 V6C V6A 131.4(6) . 10_556 ?
O13 V6C V6A 73.5(3) . 10_556 ?
OX10 V6C V6A 94.3(4) . 10_556 ?
F1 V6C V6A 55.9(3) . 10_556 ?
V6B V6D OX1 127.0(19) . . ?
V6B V6D OX2 96.3(16) . . ?
OX1 V6D OX2 55.7(19) . . ?
V6B V6D OX9 85(2) . . ?
OX1 V6D OX9 131(3) . . ?
OX2 V6D OX9 89(3) . . ?
V6B V6D O16 81.6(9) . . ?
OX1 V6D O16 109.3(18) . . ?
OX2 V6D O16 159.1(18) . . ?
OX9 V6D O16 111(2) . . ?
V6B V6D O2 175.2(9) . . ?
OX1 V6D O2 54.0(17) . . ?
OX2 V6D O2 87.9(16) . . ?
OX9 V6D O2 97(2) . . ?
O16 V6D O2 93.7(9) . . ?
OX1 V6D OX10 108.0(18) . . ?
OX2 V6D OX10 91.3(16) . . ?
OX9 V6D OX10 106(2) . . ?
O16 V6D OX10 79.3(7) . . ?
O2 V6D OX10 157.6(7) . . ?
V6B V6D OX6 43.0(16) . . ?
OX1 V6D OX6 156(2) . . ?
OX2 V6D OX6 101.0(19) . . ?
OX9 V6D OX6 43(3) . . ?
O16 V6D OX6 91.6(16) . . ?
O2 V6D OX6 138.3(16) . . ?
OX10 V6D OX6 63.7(15) . . ?
V6B V6D V6D 126.4(5) . 10_556 ?
OX1 V6D V6D 14.9(17) . 10_556 ?
OX2 V6D V6D 42.4(13) . 10_556 ?
OX9 V6D V6D 117(2) . 10_556 ?
O16 V6D V6D 124.1(7) . 10_556 ?
O2 V6D V6D 56.0(4) . 10_556 ?
OX10 V6D V6D 110.6(3) . 10_556 ?
OX6 V6D V6D 143.3(14) . 10_556 ?
V6B V6D F1 89.3(7) . . ?
OX1 V6D F1 49.3(17) . . ?
OX2 V6D F1 85.5(16) . . ?
OX9 V6D F1 172(2) . . ?
O16 V6D F1 73.7(6) . . ?
O2 V6D F1 88.8(6) . . ?
OX10 V6D F1 68.8(4) . . ?
OX6 V6D F1 132.1(16) . . ?
V6D V6D F1 61.4(2) 10_556 . ?
O2 As1 O3 106.2(5) . 10_556 ?
O2 As1 O3 106.2(5) . . ?
O3 As1 O3 114.0(7) 10_556 . ?
O2 As1 O1 112.4(9) . . ?
O3 As1 O1 109.0(5) 10_556 . ?
O3 As1 O1 109.0(5) . . ?
O5 As2 O7 112.1(4) . . ?
O5 As2 O9 108.0(6) . 9_556 ?
O7 As2 O9 109.1(5) . 9_556 ?
O5 As2 O8 107.0(5) . . ?
O7 As2 O8 108.7(5) . . ?
O9 As2 O8 112.0(4) 9_556 . ?
O12 As3 O12 113.8(6) . 10_556 ?
O12 As3 O13 107.2(4) . . ?
O12 As3 O13 107.2(4) 10_556 . ?
O12 As3 O14 110.0(4) . . ?
O12 As3 O14 110.0(4) 10_556 . ?
O13 As3 O14 108.5(8) . . ?
O4 V1 F2 100.7(4) . . ?
O4 V1 F3 102.6(5) . . ?
F2 V1 F3 90.7(4) . . ?
O4 V1 O5 100.2(5) . . ?
F2 V1 O5 159.1(5) . . ?
F3 V1 O5 86.5(4) . . ?
O4 V1 O3 99.6(6) . . ?
F2 V1 O3 89.0(5) . . ?
F3 V1 O3 157.4(4) . . ?
O5 V1 O3 85.8(4) . . ?
O4 V1 F4 176.6(4) . . ?
F2 V1 F4 76.0(3) . . ?
F3 V1 F4 77.4(4) . . ?
O5 V1 F4 83.2(4) . . ?
O3 V1 F4 80.6(5) . . ?
O6 V2 F3 100.9(5) . . ?
O6 V2 F3 100.9(5) . 10_556 ?
F3 V2 F3 87.1(5) . 10_556 ?
O6 V2 O7 100.2(5) . 10_556 ?
F3 V2 O7 158.8(4) . 10_556 ?
F3 V2 O7 90.0(4) 10_556 10_556 ?
O6 V2 O7 100.2(5) . . ?
F3 V2 O7 90.0(4) . . ?
F3 V2 O7 158.8(4) 10_556 . ?
O7 V2 O7 85.1(6) 10_556 . ?
O6 V2 F4 176.5(6) . . ?
F3 V2 F4 76.6(3) . . ?
F3 V2 F4 76.6(3) 10_556 . ?
O7 V2 F4 82.3(4) 10_556 . ?
O7 V2 F4 82.3(4) . . ?
O10 V3 F7 100.9(5) . 10_556 ?
O10 V3 F7 100.9(5) . . ?
F7 V3 F7 92.3(6) 10_556 . ?
O10 V3 O8 101.2(5) . 8_556 ?
F7 V3 O8 157.4(5) 10_556 8_556 ?
F7 V3 O8 88.2(4) . 8_556 ?
O10 V3 O8 101.2(5) . 5_554 ?
F7 V3 O8 88.2(4) 10_556 5_554 ?
F7 V3 O8 157.4(5) . 5_554 ?
O8 V3 O8 82.9(7) 8_556 5_554 ?
O10 V3 F6 176.2(6) . . ?
F7 V3 F6 76.5(3) 10_556 . ?
F7 V3 F6 76.5(3) . . ?
O8 V3 F6 81.6(4) 8_556 . ?
O8 V3 F6 81.6(4) 5_554 . ?
O11 V4 F5 101.3(4) . . ?
O11 V4 F7 101.1(5) . . ?
F5 V4 F7 90.7(4) . . ?
O11 V4 O9 100.2(5) . . ?
F5 V4 O9 158.3(4) . . ?
F7 V4 O9 87.2(4) . . ?
O11 V4 O12 101.4(5) . . ?
F5 V4 O12 88.2(4) . . ?
F7 V4 O12 157.2(4) . . ?
O9 V4 O12 85.4(4) . . ?
O11 V4 F6 175.6(5) . . ?
F5 V4 F6 75.4(3) . . ?
F7 V4 F6 76.2(4) . . ?
O9 V4 F6 83.2(4) . . ?
O12 V4 F6 81.5(4) . . ?
O15 V5 O16 103.1(6) . . ?
O15 V5 O17 97.1(6) . . ?
O16 V5 O17 86.0(7) . . ?
O15 V5 O14 104.6(6) . . ?
O16 V5 O14 151.8(6) . . ?
O17 V5 O14 95.9(6) . . ?
O15 V5 O1 105.8(6) . . ?
O16 V5 O1 93.0(7) . . ?
O17 V5 O1 156.6(5) . . ?
O14 V5 O1 74.2(4) . . ?
O15 V5 F1 174.9(6) . . ?
O16 V5 F1 75.5(5) . . ?
O17 V5 F1 77.9(5) . . ?
O14 V5 F1 77.4(5) . . ?
O1 V5 F1 79.3(5) . . ?
O15 V5 V5 136.9(4) . 10_556 ?
O16 V5 V5 108.7(5) . 10_556 ?
O17 V5 V5 113.1(4) . 10_556 ?
O14 V5 V5 44.9(3) . 10_556 ?
O1 V5 V5 45.4(3) . 10_556 ?
F1 V5 V5 47.5(3) . 10_556 ?
As1 O1 V5 119.2(6) . . ?
As1 O1 V5 119.2(6) . 10_556 ?
V5 O1 V5 89.2(6) . 10_556 ?
As1 O2 OX1 116.2(18) . . ?
As1 O2 V6D 119.6(9) . . ?
As1 O2 V6D 119.6(9) . 10_556 ?
V6D O2 V6D 67.9(7) . 10_556 ?
As1 O3 V1 120.9(5) . . ?
As2 O5 V1 131.6(6) . . ?
As2 O7 V2 128.3(5) . . ?
As2 O8 V3 129.6(5) . 9_556 ?
As2 O9 V4 128.5(5) 8_556 . ?
As3 O12 V4 123.7(5) . . ?
As3 O13 V6C 121.8(6) . 10_556 ?
As3 O13 V6C 121.8(6) . . ?
V6C O13 V6C 68.1(6) 10_556 . ?
As3 O14 V5 121.0(6) . 10_556 ?
As3 O14 V5 121.0(6) . . ?
V5 O14 V5 90.3(6) 10_556 . ?
V6D O16 V5 122.5(9) . . ?
V6B O16 V5 121.9(8) . . ?
V6C O17 V5 115.1(7) . . ?
V6A O17 V5 119.6(7) . . ?
V5 F1 V5 84.9(5) 10_556 . ?
V5 F1 V6C 127.5(6) 10_556 . ?
V5 F1 V6C 87.9(3) . . ?
V5 F1 V6C 87.9(3) 10_556 10_556 ?
V5 F1 V6C 127.5(6) . 10_556 ?
V6C F1 V6C 57.1(5) . 10_556 ?
V5 F1 V6D 87.0(3) 10_556 10_556 ?
V5 F1 V6D 126.5(6) . 10_556 ?
V6C F1 V6D 135.7(7) . 10_556 ?
V6C F1 V6D 104.9(4) 10_556 10_556 ?
V5 F1 V6D 126.5(6) 10_556 . ?
V5 F1 V6D 87.0(3) . . ?
V6C F1 V6D 104.9(4) . . ?
V6C F1 V6D 135.7(7) 10_556 . ?
V6D F1 V6D 57.2(5) 10_556 . ?
V1 F2 V1 115.6(6) 10_556 . ?
V2 F3 V1 113.1(4) . . ?
V1 F4 V1 92.4(4) . 10_556 ?
V1 F4 V2 92.8(4) . . ?
V1 F4 V2 92.8(4) 10_556 . ?
V4 F5 V4 114.9(5) . 10_556 ?
V4 F6 V4 94.3(4) 10_556 . ?
V4 F6 V3 93.8(3) 10_556 . ?
V4 F6 V3 93.8(3) . . ?
V3 F7 V4 113.4(5) . . ?
V6D OX1 V6D 150(3) 10_556 . ?
V6D OX1 OX2 76.3(17) 10_556 . ?
V6D OX1 OX2 76.3(17) . . ?
V6D OX1 O2 90.6(18) 10_556 . ?
V6D OX1 O2 90.6(18) . . ?
OX2 OX1 O2 116(3) . . ?
V6D OX1 V6B 142(3) 10_556 . ?
OX2 OX1 V6B 68.8(12) . . ?
O2 OX1 V6B 116.5(9) . . ?
V6D OX1 V6B 142(3) . 10_556 ?
OX2 OX1 V6B 68.8(12) . 10_556 ?
O2 OX1 V6B 116.5(9) . 10_556 ?
V6B OX1 V6B 122.1(17) . 10_556 ?
OX1 OX2 V6D 48.0(14) . 10_556 ?
OX1 OX2 V6D 48.0(14) . . ?
V6D OX2 V6D 95(3) 10_556 . ?
OX1 OX2 V6B 73.8(15) . . ?
V6D OX2 V6B 120(3) 10_556 . ?
OX1 OX2 V6B 73.8(15) . 10_556 ?
V6D OX2 V6B 120(3) . 10_556 ?
V6B OX2 V6B 129(2) . 10_556 ?
V6C OX4 V6C 109(6) . 10_556 ?
V6C OX4 V6A 137(5) . 10_556 ?
V6C OX4 V6A 137(5) 10_556 . ?
V6A OX4 V6A 140(4) 10_556 . ?
V6C OX5 OX7 99(3) . . ?
OX7 OX5 V6A 62(2) . . ?
OX9 OX6 V6B 72(3) . . ?
OX9 OX6 V6D 45(3) . . ?
OX5 OX7 V6A 63(2) . . ?
OX6 OX9 V6D 92(4) . . ?
V6A OX10 V6B 152.6(11) . . ?
V6B OX10 V6C 134.7(8) . . ?
V6A OX10 V6D 135.2(8) . . ?
V6C OX10 V6D 116.0(5) . . ?
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
V6A V6C 1.170(9) . ?
V6A OX10 1.218(11) . ?
V6A OX7 1.85(5) . ?
V6A OX5 1.87(5) . ?
V6A O17 1.892(17) . ?
V6A OX4 1.95(3) . ?
V6A V6B 2.384(11) . ?
V6A V6C 3.118(11) 10_556 ?
V6B V6D 1.163(9) . ?
V6B OX10 1.236(11) . ?
V6B OX6 1.67(6) . ?
V6B O16 1.865(17) . ?
V6B OX9 1.93(6) . ?
V6B OX2 2.05(2) . ?
V6B OX1 2.116(19) . ?
V6C OX4 1.40(5) . ?
V6C OX5 1.61(4) . ?
V6C O17 1.740(16) . ?
V6C O13 2.035(13) . ?
V6C OX10 2.243(13) . ?
V6C V6C 2.280(15) 10_556 ?
V6C F1 2.384(14) . ?
V6C V6A 3.118(11) 10_556 ?
V6D OX1 1.201(12) . ?
V6D OX2 1.57(3) . ?
V6D OX9 1.63(6) . ?
V6D O16 1.638(16) . ?
V6D O2 2.077(18) . ?
V6D OX10 2.253(13) . ?
V6D OX6 2.32(6) . ?
V6D V6D 2.322(15) 10_556 ?
V6D F1 2.425(13) . ?
As1 O2 1.68(2) . ?
As1 O3 1.696(11) 10_556 ?
As1 O3 1.696(11) . ?
As1 O1 1.700(12) . ?
As2 O5 1.663(11) . ?
As2 O7 1.695(9) . ?
As2 O9 1.702(10) 9_556 ?
As2 O8 1.703(9) . ?
As3 O12 1.650(9) . ?
As3 O12 1.650(9) 10_556 ?
As3 O13 1.661(9) . ?
As3 O14 1.712(11) . ?
V1 O4 1.616(10) . ?
V1 F2 1.861(6) . ?
V1 F3 1.934(9) . ?
V1 O5 1.937(10) . ?
V1 O3 1.981(11) . ?
V1 F4 2.181(7) . ?
V2 O6 1.621(14) . ?
V2 F3 1.903(9) . ?
V2 F3 1.903(9) 10_556 ?
V2 O7 1.940(9) 10_556 ?
V2 O7 1.940(9) . ?
V2 F4 2.238(12) . ?
V3 O10 1.594(16) . ?
V3 F7 1.891(9) 10_556 ?
V3 F7 1.891(9) . ?
V3 O8 1.924(9) 8_556 ?
V3 O8 1.924(9) 5_554 ?
V3 F6 2.194(11) . ?
V4 O11 1.604(11) . ?
V4 F5 1.894(5) . ?
V4 F7 1.929(9) . ?
V4 O9 1.951(9) . ?
V4 O12 1.993(10) . ?
V4 F6 2.178(6) . ?
V5 O15 1.522(10) . ?
V5 O16 1.956(15) . ?
V5 O17 1.988(15) . ?
V5 O14 2.047(10) . ?
V5 O1 2.066(11) . ?
V5 F1 2.149(11) . ?
V5 V5 2.901(6) 10_556 ?
O1 V5 2.066(11) 10_556 ?
O2 OX1 1.68(4) . ?
O2 V6D 2.077(18) 10_556 ?
O8 V3 1.924(9) 9_556 ?
O9 As2 1.702(10) 8_556 ?
O13 V6C 2.035(13) 10_556 ?
O14 V5 2.047(10) 10_556 ?
F1 V5 2.149(11) 10_556 ?
F1 V6C 2.384(14) 10_556 ?
F1 V6D 2.425(13) 10_556 ?
F2 V1 1.861(6) 10_556 ?
F4 V1 2.181(7) 10_556 ?
F5 V4 1.894(5) 10_556 ?
F6 V4 2.178(6) 10_556 ?
OX1 V6D 1.201(12) 10_556 ?
OX1 OX2 1.34(5) . ?
OX1 V6B 2.116(19) 10_556 ?
OX2 V6D 1.57(3) 10_556 ?
OX2 V6B 2.05(2) 10_556 ?
OX4 V6C 1.40(5) 10_556 ?
OX4 V6A 1.95(3) 10_556 ?
OX5 OX7 1.72(7) . ?
OX6 OX9 1.59(8) . ?
