#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:02:07 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180488 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/57/7215731.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_7215731
loop_
_publ_author_name
'An, Litao'
'Zhou, Jian'
'Xiao, Hong-Ping'
'Liu, Xing'
'Zou, Huahong'
'Pan, Chun-Yang'
'Liu, Meihua'
'Li, Jianhui'
_publ_section_title
;
 A series of new 3-D boratopolyoxovanadates containing five types of
 [KxOy]n building units
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              4236
_journal_paper_doi               10.1039/c4ce00073k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety
'K2 B18 V12 O54 (O H)6 (H2 O) [K8 (H2 O)16], 3(H2 O)'
_chemical_formula_sum            'B18 H46 K10 O80 V12'
_chemical_formula_weight         2523.18
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.070(11)
_cell_angle_beta                 96.342(12)
_cell_angle_gamma                107.344(13)
_cell_formula_units_Z            1
_cell_length_a                   11.901(12)
_cell_length_b                   13.365(14)
_cell_length_c                   13.987(14)
_cell_measurement_temperature    296(2)
_cell_volume                     1810(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9777
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    2.189
_exptl_absorpt_correction_T_max  0.7517
_exptl_absorpt_correction_T_min  0.5957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    2.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.300
_refine_diff_density_min         -2.300
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    NONE
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         6321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1112P)²+20.1182P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1924
_refine_ls_wR_factor_ref         0.2009
_reflns_number_gt                5443
_reflns_number_total             6321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00073k1.cif
_cod_data_source_block           1
_cod_database_code               7215731
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
V1 V 0.43054(10) 0.79477(10) 0.70738(9) 0.0154(3) Uani 1 1 d .
V2 V 0.37449(10) 0.65860(10) 0.83045(9) 0.0149(3) Uani 1 1 d .
V3 V 0.64716(10) 0.79629(10) 0.91768(9) 0.0146(3) Uani 1 1 d .
V4 V 0.82891(10) 1.05403(10) 1.07859(9) 0.0140(3) Uani 1 1 d .
V5 V 0.72799(10) 1.05390(10) 0.87078(9) 0.0142(3) Uani 1 1 d .
V6 V 0.50007(10) 1.05334(10) 0.75712(9) 0.0154(3) Uani 1 1 d .
K1 K 0.94367(16) 0.82511(18) 1.03119(17) 0.0352(4) Uani 1 1 d .
K2 K 0.55125(19) 0.46996(18) 0.82982(17) 0.0389(5) Uani 1 1 d .
K3 K 0.6496(3) 0.1767(3) 0.5424(3) 0.0829(10) Uani 1 1 d .
K4 K 0.08159(19) 0.41328(19) 0.75038(16) 0.0411(5) Uani 1 1 d .
K5 K 0.2376(4) 0.4738(4) 0.5197(4) 0.1028(12) Uani 1 1 d .
O1 O 0.7161(5) 0.7037(4) 0.8720(4) 0.0248(11) Uani 1 1 d .
O2 O 0.8339(5) 1.0692(5) 0.8083(4) 0.0249(11) Uani 1 1 d .
O3 O 0.3363(5) 0.5136(5) 0.7500(4) 0.0267(12) Uani 1 1 d .
O4 O 0.9701(4) 1.0683(5) 1.0977(4) 0.0242(11) Uani 1 1 d .
O5 O 0.5104(5) 1.0627(5) 0.6468(4) 0.0284(12) Uani 1 1 d .
O6 O 0.5096(4) 0.7220(4) 0.9592(4) 0.0177(10) Uani 1 1 d .
O7 O 0.1769(4) 0.8378(4) 0.7686(4) 0.0163(10) Uani 1 1 d .
O8 O 0.4153(4) 1.1623(4) 0.8373(4) 0.0164(10) Uani 1 1 d .
O9 O 0.6461(4) 1.1624(4) 0.8809(4) 0.0174(10) Uani 1 1 d .
O10 O 0.2587(4) 0.6720(4) 0.9262(4) 0.0159(10) Uani 1 1 d .
O11 O 0.8088(4) 1.1631(4) 1.0310(4) 0.0180(10) Uani 1 1 d .
O12 O 0.2954(4) 0.7158(4) 0.7501(4) 0.0184(10) Uani 1 1 d .
O13 O 0.5740(4) 0.9401(4) 0.7554(4) 0.0176(10) Uani 1 1 d .
O14 O 0.2690(4) 1.0911(4) 0.9226(4) 0.0185(10) Uani 1 1 d .
O15 O 0.5111(4) 0.7436(4) 0.7939(4) 0.0188(10) Uani 1 1 d .
O16 O 0.3569(4) 0.9093(4) 0.7158(4) 0.0188(10) Uani 1 1 d .
O17 O 0.7389(4) 0.9422(4) 0.9184(4) 0.0186(10) Uani 1 1 d .
O18 O 0.4104(5) 0.7028(5) 0.5759(4) 0.0271(12) Uani 1 1 d .
O19 O 0.2270(4) 1.2018(4) 0.8383(4) 0.0194(10) Uani 1 1 d .
O20 O 0.2117(4) 0.9999(4) 0.7236(4) 0.0163(10) Uani 1 1 d .
O21 O 0.1586(5) 0.7982(4) 0.5787(4) 0.0209(10) Uani 1 1 d .
O22 O 0.8054(4) 1.3486(4) 0.9221(4) 0.0209(10) Uani 1 1 d .
O23 O 0.1019(4) 0.6574(4) 0.7878(4) 0.0168(10) Uani 1 1 d .
O24 O 0.9484(4) 1.3509(5) 1.0568(4) 0.0207(10) Uani 1 1 d .
O25 O 0.6104(4) 1.3455(4) 0.9384(4) 0.0167(10) Uani 1 1 d .
O26 O 0.2440(5) 1.4051(5) 0.9221(5) 0.0278(12) Uani 1 1 d .
O27 O 0.4227(4) 1.3666(4) 0.9428(4) 0.0198(10) Uani 1 1 d .
O28 O 1.0067(5) 1.3848(5) 0.9131(5) 0.0292(12) Uani 1 1 d .
O29 O 0.1031(5) 0.6322(4) 0.6108(4) 0.0209(11) Uani 1 1 d .
O30 O 0.0363(7) 0.6014(5) 0.4322(5) 0.0464(18) Uani 1 1 d .
B1 B 0.8493(7) 1.2966(7) 1.0966(7) 0.0175(15) Uani 1 1 d .
B2 B 0.9195(7) 1.3620(7) 0.9665(7) 0.0208(16) Uani 1 1 d .
B3 B 0.6973(7) 1.2959(7) 0.9529(7) 0.0168(15) Uani 1 1 d .
B4 B 0.4879(7) 1.2886(7) 0.9394(6) 0.0162(15) Uani 1 1 d .
B5 B 0.2998(7) 1.3232(7) 0.9002(7) 0.0178(15) Uani 1 1 d .
B6 B 0.2798(7) 1.1105(7) 0.8281(6) 0.0167(15) Uani 1 1 d .
B7 B 0.2265(7) 0.8888(7) 0.6975(6) 0.0158(15) Uani 1 1 d .
B8 B 0.1008(8) 0.6787(7) 0.5422(7) 0.0216(17) Uani 1 1 d .
B9 B 0.1695(7) 0.7106(7) 0.7315(6) 0.0157(15) Uani 1 1 d .
O1W O 0.5000 1.0000 1.0000 0.149(8) Uani 1 2 d S
O2W O 1.0358(10) 0.0677(10) 0.3498(9) 0.043(3) Uiso 0.60 1 d P
O2W' O 1.165(4) 0.165(4) 0.284(3) 0.079(16) Uiso 0.40 1 d P
O3W O 0.3395(15) 0.1278(15) 0.4363(14) 0.142(5) Uiso 1 1 d .
O4W O 0.3889(18) 0.2412(12) 0.6645(11) 0.067(5) Uani 0.50 1 d P
O5W O 0.757(3) 0.408(3) 0.762(2) 0.118(8) Uiso 0.50 1 d P
O6W O 1.1390(8) 0.3854(10) 0.2878(8) 0.094(4) Uani 1 1 d .
O7W O -0.1766(7) -0.1837(10) -0.2651(7) 0.0307(18) Uani 1 1 d .
O8W O -0.3927(18) -0.3871(18) -0.3953(16) 0.095(5) Uiso 0.60 1 d P
O8W' O -0.468(3) -0.506(2) -0.375(2) 0.088(7) Uiso 0.40 1 d P
O9W O 0.833(3) 0.195(2) 0.680(2) 0.080(9) Uani 0.50 1 d P
O9W' O 0.852(3) 0.151(2) 0.653(2) 0.079(8) Uani 0.50 1 d P
O10A O 0.1972(19) 0.9992(18) 0.5221(16) 0.093(5) Uiso 0.60 1 d P
O10B O 0.105(3) 0.961(3) 0.517(3) 0.103(9) Uiso 0.40 1 d P
O11B O 0.171(2) 0.273(2) 0.551(2) 0.118(7) Uiso 0.60 1 d P
O11A O 0.102(3) 0.189(3) 0.647(3) 0.107(9) Uiso 0.40 1 d P
O12W O 1.0119(14) 0.1473(18) 0.6938(12) 0.074(5) Uani 0.50 1 d P
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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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
O18 V1 O13 106.8(3) . .
O18 V1 O15 108.3(3) . .
O13 V1 O15 93.8(2) . .
O18 V1 O16 107.1(2) . .
O13 V1 O16 78.4(2) . .
O15 V1 O16 144.5(2) . .
O18 V1 O12 107.3(3) . .
O13 V1 O12 145.9(2) . .
O15 V1 O12 77.9(2) . .
O16 V1 O12 89.4(2) . .
O18 V1 V6 110.5(2) . .
O13 V1 V6 39.45(15) . .
O15 V1 V6 125.88(16) . .
O16 V1 V6 38.98(15) . .
O12 V1 V6 122.62(15) . .
O18 V1 V2 111.6(2) . .
O13 V1 V2 126.30(16) . .
O15 V1 V2 39.28(15) . .
O16 V1 V2 121.85(16) . .
O12 V1 V2 38.67(14) . .
V6 V1 V2 137.86(6) . .
O18 V1 K5 48.2(2) . .
O13 V1 K5 152.69(17) . .
O15 V1 K5 86.37(18) . .
O16 V1 K5 116.14(18) . .
O12 V1 K5 60.74(17) . .
V6 V1 K5 147.67(10) . .
V2 V1 K5 67.66(11) . .
O18 V1 K3 49.3(2) . 2_666
O13 V1 K3 83.42(16) . 2_666
O15 V1 K3 154.24(16) . 2_666
O16 V1 K3 60.02(16) . 2_666
O12 V1 K3 117.82(16) . 2_666
V6 V1 K3 65.03(7) . 2_666
V2 V1 K3 150.23(7) . 2_666
K5 V1 K3 84.76(12) . 2_666
O3 V2 O6 109.7(2) . .
O3 V2 O12 108.8(3) . .
O6 V2 O12 139.6(2) . .
O3 V2 O15 107.9(3) . .
O6 V2 O15 78.7(2) . .
O12 V2 O15 78.2(2) . .
O3 V2 O10 104.8(2) . .
O6 V2 O10 90.2(2) . .
O12 V2 O10 91.7(2) . .
O15 V2 O10 147.3(2) . .
O3 V2 V3 112.0(2) . .
O6 V2 V3 39.60(15) . .
O12 V2 V3 112.41(16) . .
O15 V2 V3 39.28(15) . .
O10 V2 V3 124.85(15) . .
O3 V2 V1 112.3(2) . .
O6 V2 V1 112.05(16) . .
O12 V2 V1 39.39(15) . .
O15 V2 V1 38.82(14) . .
O10 V2 V1 125.32(14) . .
V3 V2 V1 75.58(6) . .
O3 V2 K4 52.2(2) . .
O6 V2 K4 124.35(16) . .
O12 V2 K4 89.43(17) . .
O15 V2 K4 151.75(16) . .
O10 V2 K4 56.90(14) . .
V3 V2 K4 157.41(6) . .
V1 V2 K4 123.55(7) . .
O3 V2 K5 53.0(2) . .
O6 V2 K5 148.92(17) . .
O12 V2 K5 58.05(17) . .
O15 V2 K5 83.07(17) . .
O10 V2 K5 117.82(17) . .
V3 V2 K5 117.02(8) . .
V1 V2 K5 63.91(10) . .
K4 V2 K5 68.90(8) . .
O3 V2 K2 51.2(2) . .
O6 V2 K2 60.32(16) . .
O12 V2 K2 148.20(16) . .
O15 V2 K2 85.22(16) . .
O10 V2 K2 115.92(14) . .
V3 V2 K2 65.70(9) . .
V1 V2 K2 118.53(7) . .
K4 V2 K2 92.81(11) . .
K5 V2 K2 93.39(9) . .
O1 V3 O17 107.8(3) . .
O1 V3 O15 107.1(3) . .
O17 V3 O15 93.7(2) . .
O1 V3 O6 108.2(3) . .
O17 V3 O6 143.9(2) . .
O15 V3 O6 79.0(2) . .
O1 V3 O14 106.7(2) . 2_677
O17 V3 O14 79.0(2) . 2_677
O15 V3 O14 146.1(2) . 2_677
O6 V3 O14 87.7(2) . 2_677
O1 V3 V2 110.5(2) . .
O17 V3 V2 126.45(15) . .
O15 V3 V2 39.92(15) . .
O6 V3 V2 39.19(15) . .
O14 V3 V2 122.02(15) 2_677 .
O1 V3 V4 111.1(2) . .
O17 V3 V4 39.93(15) . .
O15 V3 V4 126.65(16) . .
O6 V3 V4 120.45(16) . .
O14 V3 V4 39.07(14) 2_677 .
V2 V3 V4 138.15(5) . .
O1 V3 K1 49.4(2) . .
O17 V3 K1 82.94(16) . .
O15 V3 K1 152.39(16) . .
O6 V3 K1 119.01(16) . .
O14 V3 K1 60.23(15) 2_677 .
V2 V3 K1 150.51(7) . .
V4 V3 K1 64.84(7) . .
O1 V3 K2 48.5(2) . .
O17 V3 K2 154.41(16) . .
O15 V3 K2 86.53(15) . .
O6 V3 K2 61.15(15) . .
O14 V3 K2 114.12(15) 2_677 .
V2 V3 K2 66.88(5) . .
V4 V3 K2 146.81(6) . .
K1 V3 K2 85.15(6) . .
O4 V4 O11 109.0(2) . .
O4 V4 O14 109.1(2) . 2_677
O11 V4 O14 139.8(2) . 2_677
O4 V4 O17 109.4(2) . .
O11 V4 O17 77.4(2) . .
O14 V4 O17 78.4(2) 2_677 .
O4 V4 O7 103.5(2) . 2_677
O11 V4 O7 91.4(2) . 2_677
O14 V4 O7 91.9(2) 2_677 2_677
O17 V4 O7 147.1(2) . 2_677
O4 V4 V3 113.7(2) . .
O11 V4 V3 111.16(17) . .
O14 V4 V3 39.48(15) 2_677 .
O17 V4 V3 38.92(14) . .
O7 V4 V3 125.37(15) 2_677 .
O4 V4 V5 113.0(2) . .
O11 V4 V5 38.97(14) . .
O14 V4 V5 111.99(15) 2_677 .
O17 V4 V5 38.52(15) . .
O7 V4 V5 125.00(15) 2_677 .
V3 V4 V5 74.93(7) . .
O4 V4 K1 52.10(19) . .
O11 V4 K1 145.04(16) . .
O14 V4 K1 60.28(17) 2_677 .
O17 V4 K1 82.43(15) . .
O7 V4 K1 119.91(14) 2_677 .
V3 V4 K1 64.87(9) . .
V5 V4 K1 114.92(6) . .
O4 V4 K1 51.1(2) . 2_777
O11 V4 K1 61.02(16) . 2_777
O14 V4 K1 144.85(16) 2_677 2_777
O17 V4 K1 82.36(17) . 2_777
O7 V4 K1 119.24(15) 2_677 2_777
V3 V4 K1 115.19(8) . 2_777
V5 V4 K1 64.92(8) . 2_777
K1 V4 K1 88.36(8) . 2_777
O2 V5 O17 106.8(2) . .
O2 V5 O13 107.3(3) . .
O17 V5 O13 94.3(2) . .
O2 V5 O9 110.3(2) . .
O17 V5 O9 142.6(2) . .
O13 V5 O9 78.9(2) . .
O2 V5 O11 106.5(3) . .
O17 V5 O11 77.8(2) . .
O13 V5 O11 146.1(2) . .
O9 V5 O11 87.6(2) . .
O2 V5 V6 111.3(2) . .
O17 V5 V6 127.14(16) . .
O13 V5 V6 40.17(15) . .
O9 V5 V6 38.98(14) . .
O11 V5 V6 122.20(15) . .
O2 V5 V4 109.7(2) . .
O17 V5 V4 39.60(15) . .
O13 V5 V4 127.32(16) . .
O9 V5 V4 119.70(15) . .
O11 V5 V4 38.31(15) . .
V6 V5 V4 138.81(5) . .
O2 V5 K1 47.7(2) . 2_777
O17 V5 K1 83.17(16) . 2_777
O13 V5 K1 151.48(15) . 2_777
O9 V5 K1 119.46(16) . 2_777
O11 V5 K1 61.20(15) . 2_777
V6 V5 K1 149.54(6) . 2_777
V4 V5 K1 65.23(5) . 2_777
O5 V6 O9 112.7(3) . .
O5 V6 O16 109.1(3) . .
O9 V6 O16 136.5(2) . .
O5 V6 O13 107.1(3) . .
O9 V6 O13 78.8(2) . .
O16 V6 O13 77.9(2) . .
O5 V6 O8 106.4(2) . .
O9 V6 O8 88.8(2) . .
O16 V6 O8 90.9(2) . .
O13 V6 O8 146.5(2) . .
O5 V6 V5 112.7(2) . .
O9 V6 V5 39.52(15) . .
O16 V6 V5 111.57(16) . .
O13 V6 V5 39.51(14) . .
O8 V6 V5 123.78(15) . .
O5 V6 V1 111.9(2) . .
O9 V6 V1 110.82(15) . .
O16 V6 V1 39.14(14) . .
O13 V6 V1 38.78(15) . .
O8 V6 V1 124.24(15) . .
V5 V6 V1 75.35(5) . .
O5 V6 K3 49.4(2) . 2_666
O9 V6 K3 150.18(17) . 2_666
O16 V6 K3 61.44(16) . 2_666
O13 V6 K3 84.66(16) . 2_666
O8 V6 K3 117.65(16) . 2_666
V5 V6 K3 118.37(9) . 2_666
V1 V6 K3 66.99(8) . 2_666
O2 K1 O1 175.67(17) 2_777 .
O2 K1 O4 86.00(16) 2_777 .
O1 K1 O4 97.89(15) . .
O2 K1 O4 96.50(17) 2_777 2_777
O1 K1 O4 87.16(17) . 2_777
O4 K1 O4 59.25(19) . 2_777
O2 K1 O24 76.38(17) 2_777 2_777
O1 K1 O24 101.20(17) . 2_777
O4 K1 O24 145.02(16) . 2_777
O4 K1 O24 92.63(16) 2_777 2_777
O2 K1 O19 100.59(17) 2_777 2_677
O1 K1 O19 77.34(17) . 2_677
O4 K1 O19 93.51(15) . 2_677
O4 K1 O19 146.65(15) 2_777 2_677
O24 K1 O19 119.09(15) 2_777 2_677
O2 K1 O14 122.84(17) 2_777 2_677
O1 K1 O14 58.47(15) . 2_677
O4 K1 O14 58.31(14) . 2_677
O4 K1 O14 99.88(15) 2_777 2_677
O24 K1 O14 155.12(15) 2_777 2_677
O19 K1 O14 46.90(13) 2_677 2_677
O2 K1 O11 57.77(16) 2_777 2_777
O1 K1 O11 123.15(17) . 2_777
O4 K1 O11 98.31(14) . 2_777
O4 K1 O11 57.05(14) 2_777 2_777
O24 K1 O11 46.76(13) 2_777 2_777
O19 K1 O11 154.18(14) 2_677 2_777
O14 K1 O11 154.97(14) 2_677 2_777
O2 K1 B2 62.81(19) 2_777 2_777
O1 K1 B2 113.7(2) . 2_777
O4 K1 B2 147.31(19) . 2_777
O4 K1 B2 112.03(19) 2_777 2_777
O24 K1 B2 23.32(18) 2_777 2_777
O19 K1 B2 101.25(18) 2_677 2_777
O14 K1 B2 147.08(18) 2_677 2_777
O11 K1 B2 57.83(17) 2_777 2_777
O2 K1 O28 69.52(16) 2_777 2_777
O1 K1 O28 106.23(16) . 2_777
O4 K1 O28 151.67(17) . 2_777
O4 K1 O28 135.28(15) 2_777 2_777
O24 K1 O28 43.42(14) 2_777 2_777
O19 K1 O28 77.85(14) 2_677 2_777
O14 K1 O28 123.73(14) 2_677 2_777
O11 K1 O28 80.93(13) 2_777 2_777
B2 K1 O28 23.49(17) 2_777 2_777
O2 K1 B5 112.53(19) 2_777 2_677
O1 K1 B5 64.25(19) . 2_677
O4 K1 B5 112.40(18) . 2_677
O4 K1 B5 149.66(18) 2_777 2_677
O24 K1 B5 102.28(19) 2_777 2_677
O19 K1 B5 22.36(16) 2_677 2_677
O14 K1 B5 57.45(17) 2_677 2_677
O11 K1 B5 147.57(17) 2_777 2_677
B2 K1 B5 89.9(2) 2_777 2_677
O28 K1 B5 67.15(17) 2_777 2_677
O2 K1 V4 108.20(14) 2_777 .
O1 K1 V4 75.10(12) . .
O4 K1 V4 26.51(11) . .
O4 K1 V4 71.97(12) 2_777 .
O24 K1 V4 164.18(12) 2_777 .
O19 K1 V4 75.56(11) 2_677 .
O14 K1 V4 33.07(9) 2_677 .
O11 K1 V4 122.21(11) 2_777 .
B2 K1 V4 170.07(16) 2_777 .
O28 K1 V4 152.36(12) 2_777 .
B5 K1 V4 90.06(15) 2_677 .
O4W K2 O27 74.8(4) . 1_545
O4W K2 O27 136.3(4) . 2_677
O27 K2 O27 63.58(18) 1_545 2_677
O4W K2 O25 84.5(3) . 1_545
O27 K2 O25 48.23(14) 1_545 1_545
O27 K2 O25 77.95(16) 2_677 1_545
O4W K2 O1 143.8(4) . .
O27 K2 O1 139.99(16) 1_545 .
O27 K2 O1 76.42(16) 2_677 .
O25 K2 O1 124.16(17) 1_545 .
O4W K2 O5W 90.2(7) . .
O27 K2 O5W 119.4(6) 1_545 .
O27 K2 O5W 121.0(6) 2_677 .
O25 K2 O5W 72.5(6) 1_545 .
O1 K2 O5W 79.9(6) . .
O4W K2 O3 76.5(4) . .
O27 K2 O3 92.09(17) 1_545 .
O27 K2 O3 91.70(16) 2_677 .
O25 K2 O3 139.62(16) 1_545 .
O1 K2 O3 89.83(17) . .
O5W K2 O3 141.5(6) . .
O4W K2 O8W' 77.9(6) . 1_666
O27 K2 O8W' 145.7(5) 1_545 1_666
O27 K2 O8W' 132.6(5) 2_677 1_666
O25 K2 O8W' 147.7(5) 1_545 1_666
O1 K2 O8W' 66.2(5) . 1_666
O5W K2 O8W' 80.7(7) . 1_666
O3 K2 O8W' 61.3(5) . 1_666
O4W K2 O6 130.1(4) . .
O27 K2 O6 93.72(15) 1_545 .
O27 K2 O6 45.78(13) 2_677 .
O25 K2 O6 123.54(16) 1_545 .
O1 K2 O6 55.80(15) . .
O5W K2 O6 134.8(6) . .
O3 K2 O6 55.17(13) . .
O8W' K2 O6 88.2(5) 1_666 .
O4W K2 B5 150.9(4) . 2_677
O27 K2 B5 76.89(19) 1_545 2_677
O27 K2 B5 23.47(17) 2_677 2_677
O25 K2 B5 71.61(19) 1_545 2_677
O1 K2 B5 65.32(18) . 2_677
O5W K2 B5 97.8(6) . 2_677
O3 K2 B5 111.39(18) . 2_677
O8W' K2 B5 130.9(5) 1_666 2_677
O6 K2 B5 58.32(16) . 2_677
O4W K2 O26 137.1(3) . 2_677
O27 K2 O26 75.59(16) 1_545 2_677
O27 K2 O26 43.73(14) 2_677 2_677
O25 K2 O26 52.66(14) 1_545 2_677
O1 K2 O26 74.98(15) . 2_677
O5W K2 O26 78.1(6) . 2_677
O3 K2 O26 134.85(15) . 2_677
O8W' K2 O26 138.4(5) 1_666 2_677
O6 K2 O26 82.02(13) . 2_677
B5 K2 O26 23.84(16) 2_677 2_677
O4W K2 B4 71.3(3) . 1_545
O27 K2 B4 25.42(16) 1_545 1_545
O27 K2 B4 76.33(19) 2_677 1_545
O25 K2 B4 25.02(16) 1_545 1_545
O1 K2 B4 143.57(18) . 1_545
O5W K2 B4 94.0(6) . 1_545
O3 K2 B4 114.66(19) . 1_545
O8W' K2 B4 148.7(5) 1_666 1_545
O6 K2 B4 115.71(18) . 1_545
B5 K2 B4 80.3(2) 2_677 1_545
O26 K2 B4 68.63(17) 2_677 1_545
O9W K3 O5 81.6(8) . 1_545
O9W K3 O5 119.0(5) . 2_666
O5 K3 O5 77.3(2) 1_545 2_666
O9W K3 O9W' 12.4(6) . .
O5 K3 O9W' 83.7(6) 1_545 .
O5 K3 O9W' 108.0(5) 2_666 .
O9W K3 O18 141.2(7) . 2_666
O5 K3 O18 131.6(2) 1_545 2_666
O5 K3 O18 91.38(19) 2_666 2_666
O9W' K3 O18 143.5(6) . 2_666
O9W K3 O5W 64.9(7) . .
O5 K3 O5W 88.8(6) 1_545 .
O5 K3 O5W 164.3(6) 2_666 .
O9W' K3 O5W 77.1(7) . .
O18 K3 O5W 92.6(6) 2_666 .
O9W K3 O21 80.9(8) . 2_666
O5 K3 O21 151.8(2) 1_545 2_666
O5 K3 O21 92.10(18) 2_666 2_666
O9W' K3 O21 74.8(6) . 2_666
O18 K3 O21 73.90(17) 2_666 2_666
O5W K3 O21 103.6(6) . 2_666
O9W K3 O16 120.9(8) . 2_666
O5 K3 O16 133.38(19) 1_545 2_666
O5 K3 O16 56.14(15) 2_666 2_666
O9W' K3 O16 110.8(5) . 2_666
O18 K3 O16 55.11(15) 2_666 2_666
O5W K3 O16 136.9(6) . 2_666
O21 K3 O16 45.01(13) 2_666 2_666
O9W K3 O10A 53.8(7) . 2_666
O5 K3 O10A 93.8(4) 1_545 2_666
O5 K3 O10A 71.3(4) 2_666 2_666
O9W' K3 O10A 41.4(6) . 2_666
O18 K3 O10A 127.2(4) 2_666 2_666
O5W K3 O10A 117.4(7) . 2_666
O21 K3 O10A 58.1(4) 2_666 2_666
O16 K3 O10A 74.8(4) 2_666 2_666
O9W K3 V6 128.8(6) . 2_666
O5 K3 V6 101.75(17) 1_545 2_666
O5 K3 V6 25.09(11) 2_666 2_666
O9W' K3 V6 116.4(5) . 2_666
O18 K3 V6 70.86(14) 2_666 2_666
O5W K3 V6 163.5(5) . 2_666
O21 K3 V6 72.92(13) 2_666 2_666
O16 K3 V6 31.73(10) 2_666 2_666
O10A K3 V6 75.0(4) 2_666 2_666
O9W K3 V1 142.7(8) . 2_666
O5 K3 V1 134.40(17) 1_545 2_666
O5 K3 V1 71.11(14) 2_666 2_666
O9W' K3 V1 136.9(6) . 2_666
O18 K3 V1 24.59(10) 2_666 2_666
O5W K3 V1 115.8(5) . 2_666
O21 K3 V1 62.33(12) 2_666 2_666
O16 K3 V1 31.36(10) 2_666 2_666
O10A K3 V1 105.9(4) 2_666 2_666
V6 K3 V1 47.97(8) 2_666 2_666
O9W K3 K3 102.7(6) . 2_656
O5 K3 K3 38.88(13) 1_545 2_656
O5 K3 K3 38.42(13) 2_666 2_656
O9W' K3 K3 97.4(6) . 2_656
O18 K3 K3 115.98(18) 2_666 2_656
O5W K3 K3 127.3(6) . 2_656
O21 K3 K3 125.80(18) 2_666 2_656
O16 K3 K3 94.53(14) 2_666 2_656
O10A K3 K3 80.5(4) 2_666 2_656
V6 K3 K3 63.06(9) 2_666 2_656
V1 K3 K3 103.73(12) 2_666 2_656
O30 K4 O28 132.7(2) 2_566 1_445
O30 K4 O11A 98.3(7) 2_566 .
O28 K4 O11A 93.9(7) 1_445 .
O30 K4 O3 100.0(2) 2_566 .
O28 K4 O3 126.66(17) 1_445 .
O11A K4 O3 85.0(7) . .
O30 K4 O26 167.5(2) 2_566 1_545
O28 K4 O26 57.67(17) 1_445 1_545
O11A K4 O26 72.3(7) . 1_545
O3 K4 O26 71.57(17) . 1_545
O30 K4 O23 67.50(16) 2_566 .
O28 K4 O23 109.52(17) 1_445 .
O11A K4 O23 156.6(7) . .
O3 K4 O23 79.64(15) . .
O26 K4 O23 118.35(15) 1_545 .
O30 K4 O10 112.75(17) 2_566 .
O28 K4 O10 89.19(18) 1_445 .
O11A K4 O10 134.1(7) . .
O3 K4 O10 57.83(14) . .
O26 K4 O10 71.04(15) 1_545 .
O23 K4 O10 47.59(14) . .
O30 K4 O12W 105.6(3) 2_566 1_455
O28 K4 O12W 69.2(4) 1_445 1_455
O11A K4 O12W 27.6(7) . 1_455
O3 K4 O12W 109.4(4) . 1_455
O26 K4 O12W 69.9(3) 1_545 1_455
O23 K4 O12W 169.9(3) . 1_455
O10 K4 O12W 141.0(3) . 1_455
O30 K4 O11B 70.7(5) 2_566 .
O28 K4 O11B 137.1(5) 1_445 .
O11A K4 O11B 43.4(8) . .
O3 K4 O11B 59.2(4) . .
O26 K4 O11B 96.9(5) 1_545 .
O23 K4 O11B 113.1(4) . .
O10 K4 O11B 116.4(5) . .
O12W K4 O11B 69.6(6) 1_455 .
O30 K4 O9W 80.4(5) 2_566 1_455
O28 K4 O9W 62.4(5) 1_445 1_455
O11A K4 O9W 67.8(9) . 1_455
O3 K4 O9W 152.4(5) . 1_455
O26 K4 O9W 102.8(5) 1_545 1_455
O23 K4 O9W 124.4(5) . 1_455
O10 K4 O9W 147.4(5) . 1_455
O12W K4 O9W 45.7(6) 1_455 1_455
O11B K4 O9W 95.9(7) . 1_455
O30 K4 B1 93.0(2) 2_566 2_677
O28 K4 B1 89.0(2) 1_445 2_677
O11A K4 B1 161.6(7) . 2_677
O3 K4 B1 78.81(18) . 2_677
O26 K4 B1 94.22(18) 1_545 2_677
O23 K4 B1 25.94(17) . 2_677
O10 K4 B1 27.66(16) . 2_677
O12W K4 B1 157.6(3) 1_455 2_677
O11B K4 B1 129.8(5) . 2_677
O9W K4 B1 128.7(6) 1_455 2_677
O30 K4 O24 99.9(2) 2_566 2_677
O28 K4 O24 65.35(17) 1_445 2_677
O11A K4 O24 158.6(7) . 2_677
O3 K4 O24 102.91(15) . 2_677
O26 K4 O24 91.06(16) 1_545 2_677
O23 K4 O24 44.30(14) . 2_677
O10 K4 O24 45.73(14) . 2_677
O12W K4 O24 134.0(4) 1_455 2_677
O11B K4 O24 156.2(4) . 2_677
O9W K4 O24 104.2(6) 1_455 2_677
B1 K4 O24 26.70(17) 2_677 2_677
O11B K5 O18 149.5(5) . .
O11B K5 O8W 90.3(6) . 2
O18 K5 O8W 82.9(4) . 2
O11B K5 O6W 108.1(6) . 1_455
O18 K5 O6W 97.2(3) . 1_455
O8W K5 O6W 69.0(4) 2 1_455
O11B K5 O29 113.6(5) . .
O18 K5 O29 78.4(2) . .
O8W K5 O29 155.7(4) 2 .
O6W K5 O29 98.1(3) 1_455 .
O11B K5 O3 60.9(5) . .
O18 K5 O3 92.22(18) . .
O8W K5 O3 105.3(4) 2 .
O6W K5 O3 168.1(3) 1_455 .
O29 K5 O3 90.89(18) . .
O11B K5 O12 109.5(5) . .
O18 K5 O12 57.36(16) . .
O8W K5 O12 131.4(4) 2 .
O6W K5 O12 136.4(3) 1_455 .
O29 K5 O12 46.20(14) . .
O3 K5 O12 55.31(16) . .
O11B K5 O30 65.1(5) . 2_566
O18 K5 O30 130.3(2) . 2_566
O8W K5 O30 145.8(4) 2 2_566
O6W K5 O30 95.2(2) 1_455 2_566
O29 K5 O30 52.31(17) . 2_566
O3 K5 O30 84.06(19) . 2_566
O12 K5 O30 81.24(17) . 2_566
O11B K5 B8 132.4(5) . .
O18 K5 B8 67.7(2) . .
O8W K5 B8 133.9(5) 2 .
O6W K5 B8 80.1(3) 1_455 .
O29 K5 B8 22.38(18) . .
O3 K5 B8 110.3(2) . .
O12 K5 B8 58.18(18) . .
O30 K5 B8 67.5(2) 2_566 .
O11B K5 V1 132.4(5) . .
O18 K5 V1 25.38(12) . .
O8W K5 V1 102.3(4) 2 .
O6W K5 V1 119.3(3) 1_455 .
O29 K5 V1 65.20(14) . .
O3 K5 V1 71.55(14) . .
O12 K5 V1 32.64(10) . .
O30 K5 V1 111.82(16) 2_566 .
B8 K5 V1 64.01(17) . .
O11B K5 V2 84.6(5) . .
O18 K5 V2 71.90(14) . .
O8W K5 V2 115.6(4) 2 .
O6W K5 V2 166.8(3) 1_455 .
O29 K5 V2 72.90(13) . .
O3 K5 V2 25.04(11) . .
O12 K5 V2 31.10(10) . .
O30 K5 V2 86.81(15) 2_566 .
B8 K5 V2 88.67(16) . .
V1 K5 V2 48.43(6) . .
O11B K5 K4 47.9(5) . .
O18 K5 K4 122.81(17) . .
O8W K5 K4 134.8(4) 2 .
O6W K5 K4 132.2(3) 1_455 .
O29 K5 K4 69.22(14) . .
O3 K5 K4 44.69(14) . .
O12 K5 K4 66.22(14) . .
O30 K5 K4 39.80(11) 2_566 .
B8 K5 K4 91.23(18) . .
V1 K5 K4 97.43(12) . .
V2 K5 K4 54.36(10) . .
V3 O1 K1 104.3(2) . .
V3 O1 K2 106.7(3) . .
K1 O1 K2 119.63(19) . .
V5 O2 K1 106.4(3) . 2_777
V2 O3 K4 102.0(2) . .
V2 O3 K2 104.0(2) . .
K4 O3 K2 128.1(2) . .
V2 O3 K5 102.0(3) . .
K4 O3 K5 88.31(17) . .
K2 O3 K5 128.0(2) . .
V4 O4 K1 101.4(2) . .
V4 O4 K1 102.9(2) . 2_777
K1 O4 K1 120.75(19) . 2_777
V6 O5 K3 149.0(3) . 1_565
V6 O5 K3 105.5(3) . 2_666
K3 O5 K3 102.7(2) 1_565 2_666
B4 O6 V2 130.4(4) 2_677 .
B4 O6 V3 128.3(4) 2_677 .
V2 O6 V3 101.2(2) . .
B4 O6 K2 90.4(4) 2_677 .
V2 O6 K2 88.65(17) . .
V3 O6 K2 87.23(18) . .
B9 O7 B7 114.9(5) . .
B9 O7 V4 121.1(4) . 2_677
B7 O7 V4 121.5(4) . 2_677
B4 O8 B6 114.2(5) . .
B4 O8 V6 120.9(4) . .
B6 O8 V6 121.4(4) . .
B3 O9 V6 130.6(4) . .
B3 O9 V5 127.0(4) . .
V6 O9 V5 101.5(2) . .
B1 O10 B3 113.9(5) 2_677 2_677
B1 O10 V2 121.1(4) 2_677 .
B3 O10 V2 120.3(4) 2_677 .
B1 O10 K4 83.4(4) 2_677 .
B3 O10 K4 119.1(4) 2_677 .
V2 O10 K4 89.34(17) . .
B1 O11 V4 129.3(4) . .
B1 O11 V5 127.9(4) . .
V4 O11 V5 102.7(2) . .
B1 O11 K1 93.7(4) . 2_777
V4 O11 K1 86.70(17) . 2_777
V5 O11 K1 85.93(18) . 2_777
B9 O12 V2 129.8(4) . .
B9 O12 V1 128.1(4) . .
V2 O12 V1 101.9(2) . .
B9 O12 K5 95.0(4) . .
V2 O12 K5 90.9(2) . .
V1 O12 K5 86.6(2) . .
V1 O13 V5 143.7(3) . .
V1 O13 V6 101.8(2) . .
V5 O13 V6 100.3(2) . .
B6 O14 V4 129.3(4) . 2_677
B6 O14 V3 129.2(4) . 2_677
V4 O14 V3 101.4(2) 2_677 2_677
B6 O14 K1 96.6(4) . 2_677
V4 O14 K1 86.66(19) 2_677 2_677
V3 O14 K1 86.40(18) 2_677 2_677
V3 O15 V1 144.9(3) . .
V3 O15 V2 100.8(2) . .
V1 O15 V2 101.9(2) . .
B7 O16 V6 130.6(4) . .
B7 O16 V1 127.5(4) . .
V6 O16 V1 101.9(2) . .
B7 O16 K3 94.6(4) . 2_666
V6 O16 K3 86.83(18) . 2_666
V1 O16 K3 88.63(18) . 2_666
V5 O17 V3 144.7(3) . .
V5 O17 V4 101.9(2) . .
V3 O17 V4 101.2(2) . .
V1 O18 K5 106.4(3) . .
V1 O18 K3 106.1(3) . 2_666
K5 O18 K3 118.8(2) . 2_666
B5 O19 B6 119.8(5) . .
B5 O19 K1 102.7(4) . 2_677
B6 O19 K1 102.4(4) . 2_677
B6 O20 B7 121.5(5) . .
B8 O21 B7 121.8(6) . .
B8 O21 K3 107.8(5) . 2_666
B7 O21 K3 103.8(4) . 2_666
B2 O22 B3 122.1(6) . .
B1 O23 B9 120.4(5) 2_677 .
B1 O23 K4 86.7(4) 2_677 .
B9 O23 K4 121.3(4) . .
B2 O24 B1 120.4(6) . .
B2 O24 K1 99.9(4) . 2_777
B1 O24 K1 104.8(4) . 2_777
B2 O24 K4 100.4(4) . 2_677
B1 O24 K4 76.5(4) . 2_677
K1 O24 K4 155.28(19) 2_777 2_677
B3 O25 B4 117.7(5) . .
B3 O25 K2 141.3(4) . 1_565
B4 O25 K2 96.6(4) . 1_565
B5 O26 K4 125.6(5) . 1_565
B5 O26 K2 77.8(4) . 2_677
K4 O26 K2 153.82(19) 1_565 2_677
B5 O27 B4 123.0(6) . .
B5 O27 K2 112.0(4) . 1_565
B4 O27 K2 98.3(4) . 1_565
B5 O27 K2 99.7(4) . 2_677
B4 O27 K2 108.5(4) . 2_677
K2 O27 K2 116.42(18) 1_565 2_677
B2 O28 K4 153.7(5) . 1_665
B2 O28 K1 76.5(4) . 2_777
K4 O28 K1 120.2(2) 1_665 2_777
B8 O29 B9 121.9(6) . .
B8 O29 K5 102.2(5) . .
B9 O29 K5 104.1(4) . .
B8 O30 K4 144.2(5) . 2_566
B8 O30 K5 94.9(5) . 2_566
K4 O30 K5 86.7(2) 2_566 2_566
O23 B1 O11 111.1(6) 2_677 .
O23 B1 O24 108.3(6) 2_677 .
O11 B1 O24 108.1(6) . .
O23 B1 O10 112.3(6) 2_677 2_677
O11 B1 O10 108.1(5) . 2_677
O24 B1 O10 108.9(5) . 2_677
O23 B1 K4 67.3(3) 2_677 2_677
O11 B1 K4 175.0(5) . 2_677
O24 B1 K4 76.8(4) . 2_677
O10 B1 K4 68.9(3) 2_677 2_677
O23 B1 K1 104.4(4) 2_677 2_777
O11 B1 K1 61.9(3) . 2_777
O24 B1 K1 51.2(3) . 2_777
O10 B1 K1 142.8(4) 2_677 2_777
K4 B1 K1 122.9(2) 2_677 2_777
O22 B2 O24 122.7(7) . .
O22 B2 O28 116.6(7) . .
O24 B2 O28 120.6(7) . .
O22 B2 K1 136.2(5) . 2_777
O24 B2 K1 56.7(4) . 2_777
O28 B2 K1 80.0(4) . 2_777
O25 B3 O9 111.6(6) . .
O25 B3 O22 107.6(6) . .
O9 B3 O22 109.0(6) . .
O25 B3 O10 112.6(6) . 2_677
O9 B3 O10 107.9(5) . 2_677
O22 B3 O10 108.1(5) . 2_677
O25 B4 O27 107.7(5) . .
O25 B4 O6 110.5(5) . 2_677
O27 B4 O6 108.6(6) . 2_677
O25 B4 O8 114.0(6) . .
O27 B4 O8 108.0(5) . .
O6 B4 O8 107.9(5) 2_677 .
O25 B4 K2 58.4(3) . 1_565
O27 B4 K2 56.3(3) . 1_565
O6 B4 K2 148.4(4) 2_677 1_565
O8 B4 K2 103.4(4) . 1_565
O25 B4 K2 103.3(4) . 2_677
O27 B4 K2 48.7(3) . 2_677
O6 B4 K2 65.0(3) 2_677 2_677
O8 B4 K2 141.5(4) . 2_677
K2 B4 K2 87.7(2) 1_565 2_677
O27 B5 O19 123.1(6) . .
O27 B5 O26 118.9(6) . .
O19 B5 O26 118.0(6) . .
O27 B5 K2 56.8(4) . 2_677
O19 B5 K2 136.9(5) . 2_677
O26 B5 K2 78.4(4) . 2_677
O27 B5 K1 131.8(5) . 2_677
O19 B5 K1 55.0(4) . 2_677
O26 B5 K1 83.2(4) . 2_677
K2 B5 K1 91.7(2) 2_677 2_677
O27 B5 K2 47.5(3) . 1_565
O19 B5 K2 124.3(5) . 1_565
O26 B5 K2 98.0(4) . 1_565
K2 B5 K2 88.5(2) 2_677 1_565
K1 B5 K2 178.8(3) 2_677 1_565
O20 B6 O14 110.9(6) . .
O20 B6 O19 108.2(5) . .
O14 B6 O19 107.9(6) . .
O20 B6 O8 112.3(6) . .
O14 B6 O8 108.3(5) . .
O19 B6 O8 109.1(5) . .
O20 B6 K1 105.0(4) . 2_677
O14 B6 K1 59.2(3) . 2_677
O19 B6 K1 53.4(3) . 2_677
O8 B6 K1 142.5(4) . 2_677
O20 B7 O16 110.2(5) . .
O20 B7 O21 107.8(5) . .
O16 B7 O21 109.7(6) . .
O20 B7 O7 112.6(6) . .
O16 B7 O7 107.9(5) . .
O21 B7 O7 108.6(5) . .
O21 B8 O30 118.4(7) . .
O21 B8 O29 123.0(7) . .
O30 B8 O29 118.7(7) . .
O21 B8 K5 127.0(5) . .
O30 B8 K5 88.5(5) . .
O29 B8 K5 55.4(4) . .
O23 B9 O12 111.3(6) . .
O23 B9 O29 106.9(5) . .
O12 B9 O29 109.8(6) . .
O23 B9 O7 113.0(6) . .
O12 B9 O7 108.0(5) . .
O29 B9 O7 107.9(5) . .
K2 O5W K3 106.7(9) . .
O8W' O8W K5 102.8(12) . 2
O8W O8W' K2 132.4(15) . 1_444
O9W' O9W K3 110(4) . .
O9W' O9W K4 97(6) . 1_655
K3 O9W K4 114.9(9) . 1_655
O9W O9W' K3 57(4) . .
O9W O9W' K4 72(5) . 1_655
K3 O9W' K4 103.1(6) . 1_655
O10B O10A K3 118(2) . 2_666
K5 O11B K4 89.7(7) . .
O12W O11A K4 88.3(17) 1_455 .
O11A O12W K4 64.1(15) 1_655 1_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O18 1.618(5) .
V1 O13 1.929(5) .
V1 O15 1.933(5) .
V1 O16 1.945(5) .
V1 O12 1.957(5) .
V1 V6 3.015(4) .
V1 V2 3.017(3) .
V1 K5 3.621(5) .
V1 K3 3.736(5) 2_666
V2 O3 1.614(5) .
V2 O6 1.925(5) .
V2 O12 1.927(5) .
V2 O15 1.952(5) .
V2 O10 2.015(5) .
V2 V3 2.988(3) .
V2 K4 3.624(4) .
V2 K5 3.730(6) .
V2 K2 3.732(4) .
V3 O1 1.617(5) .
V3 O17 1.925(5) .
V3 O15 1.926(5) .
V3 O6 1.942(5) .
V3 O14 1.950(5) 2_677
V3 V4 3.006(3) .
V3 K1 3.538(4) .
V3 K2 3.698(5) .
V4 O4 1.610(5) .
V4 O11 1.919(5) .
V4 O14 1.933(5) 2_677
V4 O17 1.967(5) .
V4 O7 1.986(5) 2_677
V4 V5 3.019(3) .
V4 K1 3.537(4) .
V4 K1 3.586(3) 2_777
V5 O2 1.627(5) .
V5 O17 1.921(5) .
V5 O13 1.930(5) .
V5 O9 1.938(5) .
V5 O11 1.946(5) .
V5 V6 2.985(3) .
V5 K1 3.577(4) 2_777
V6 O5 1.619(5) .
V6 O9 1.916(5) .
V6 O16 1.938(5) .
V6 O13 1.957(5) .
V6 O8 2.010(5) .
V6 K3 3.680(5) 2_666
K1 O2 2.759(6) 2_777
K1 O1 2.772(6) .
K1 O4 2.847(6) .
K1 O4 2.864(6) 2_777
K1 O24 2.866(6) 2_777
K1 O19 2.927(6) 2_677
K1 O14 3.077(6) 2_677
K1 O11 3.142(6) 2_777
K1 B2 3.376(8) 2_777
K1 O28 3.420(6) 2_777
K1 B5 3.488(9) 2_677
K2 O4W 2.736(15) .
K2 O27 2.830(6) 1_545
K2 O27 2.835(6) 2_677
K2 O25 2.886(5) 1_545
K2 O1 2.893(6) .
K2 O5W 2.93(3) .
K2 O3 2.998(6) .
K2 O8W' 3.02(3) 1_666
K2 O6 3.243(6) .
K2 B5 3.338(9) 2_677
K2 O26 3.346(7) 2_677
K2 B4 3.367(8) 1_545
K3 O9W 2.61(3) .
K3 O5 2.872(6) 1_545
K3 O5 2.901(7) 2_666
K3 O9W' 2.91(3) .
K3 O18 2.949(7) 2_666
K3 O5W 2.96(3) .
K3 O21 3.018(7) 2_666
K3 O16 3.237(7) 2_666
K3 O10A 3.26(2) 2_666
K3 V6 3.680(5) 2_666
K3 V1 3.736(5) 2_666
K3 K3 4.508(8) 2_656
K4 O30 2.668(6) 2_566
K4 O28 2.675(6) 1_445
K4 O11A 2.77(3) .
K4 O3 2.928(7) .
K4 O26 2.977(6) 1_545
K4 O23 2.988(6) .
K4 O10 3.036(5) .
K4 O12W 3.08(2) 1_455
K4 O11B 3.09(2) .
K4 O9W 3.13(3) 1_455
K4 B1 3.232(9) 2_677
K4 O24 3.237(6) 2_677
K5 O11B 2.81(2) .
K5 O18 2.814(7) .
K5 O8W 2.82(2) 2
K5 O6W 2.853(12) 1_455
K5 O29 2.947(7) .
K5 O3 3.044(8) .
K5 O12 3.165(7) .
K5 O30 3.352(10) 2_566
K5 B8 3.499(10) .
O2 K1 2.759(6) 2_777
O4 K1 2.864(6) 2_777
O5 K3 2.872(6) 1_565
O5 K3 2.901(7) 2_666
O6 B4 1.487(9) 2_677
O7 B9 1.505(9) .
O7 B7 1.519(9) .
O7 V4 1.986(5) 2_677
O8 B4 1.516(9) .
O8 B6 1.517(9) .
O9 B3 1.466(9) .
O10 B1 1.511(9) 2_677
O10 B3 1.527(9) 2_677
O11 B1 1.468(9) .
O11 K1 3.142(6) 2_777
O12 B9 1.467(9) .
O14 B6 1.470(9) .
O14 V4 1.933(5) 2_677
O14 V3 1.950(5) 2_677
O14 K1 3.077(6) 2_677
O16 B7 1.464(9) .
O16 K3 3.237(7) 2_666
O18 K3 2.949(7) 2_666
O19 B5 1.360(9) .
O19 B6 1.491(9) .
O19 K1 2.927(6) 2_677
O20 B6 1.427(9) .
O20 B7 1.431(9) .
O21 B8 1.346(10) .
O21 B7 1.473(9) .
O21 K3 3.018(7) 2_666
O22 B2 1.352(10) .
O22 B3 1.482(9) .
O23 B1 1.416(9) 2_677
O23 B9 1.442(9) .
O24 B2 1.357(10) .
O24 B1 1.494(9) .
O24 K1 2.866(6) 2_777
O24 K4 3.237(6) 2_677
O25 B3 1.427(9) .
O25 B4 1.434(9) .
O25 K2 2.886(5) 1_565
O26 B5 1.380(9) .
O26 K4 2.977(6) 1_565
O26 K2 3.346(7) 2_677
O27 B5 1.349(9) .
O27 B4 1.460(9) .
O27 K2 2.830(6) 1_565
O27 K2 2.835(6) 2_677
O28 B2 1.384(10) .
O28 K4 2.675(6) 1_665
O28 K1 3.420(6) 2_777
O29 B8 1.363(10) .
O29 B9 1.474(9) .
O30 B8 1.357(10) .
O30 K4 2.668(6) 2_566
O30 K5 3.352(10) 2_566
B1 O23 1.416(9) 2_677
B1 O10 1.511(9) 2_677
B1 K4 3.232(9) 2_677
B1 K1 3.554(8) 2_777
B2 K1 3.376(8) 2_777
B3 O10 1.527(9) 2_677
B4 O6 1.487(9) 2_677
B4 K2 3.367(8) 1_565
B4 K2 3.577(8) 2_677
B5 K2 3.338(9) 2_677
B5 K1 3.488(8) 2_677
B5 K2 3.561(8) 1_565
B6 K1 3.559(9) 2_677
O6W K5 2.853(12) 1_655
O8W O8W' 1.73(3) .
O8W K5 2.82(2) 2
O8W' K2 3.02(3) 1_444
O9W O9W' 0.66(3) .
O9W K4 3.13(3) 1_655
O9W' K4 3.28(3) 1_655
O10A O10B 1.04(3) .
O10A K3 3.26(2) 2_666
O11A O12W 1.43(4) 1_455
O12W O11A 1.43(4) 1_655
O12W K4 3.08(2) 1_655
