data_11944 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H32 Na2 O42 V10' _chemical_formula_weight 1259.64 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'V' 'V' 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na' 'Na' 0.0362 0.0249 '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' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.5143(3) _cell_length_b 10.4283(5) _cell_length_c 11.2827(8) _cell_angle_alpha 68.595(5) _cell_angle_beta 87.253(6) _cell_angle_gamma 67.112(5) _cell_volume 854.08(8) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.09 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.449 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 620 _exptl_absorpt_coefficient_mu 2.765 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.6359 _exptl_absorpt_correction_T_max 0.9094 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 10928 _diffrn_reflns_av_R_equivalents 0.0360 _diffrn_reflns_av_sigmaI/netI 0.0424 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.08 _diffrn_reflns_theta_max 27.49 _reflns_number_total 3880 _reflns_number_gt 2888 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3880 _refine_ls_number_parameters 292 _refine_ls_number_restraints 27 _refine_ls_R_factor_all 0.0575 _refine_ls_R_factor_gt 0.0399 _refine_ls_wR_factor_ref 0.1105 _refine_ls_wR_factor_gt 0.0993 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.076 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 V1 V 0.37680(7) 0.78287(6) 0.49749(5) 0.02084(15) Uani 1 1 d . . . V2 V 0.69006(6) 0.50277(6) 0.48023(5) 0.01792(15) Uani 1 1 d . . . V3 V 0.17151(7) 0.78389(6) 0.27788(5) 0.02334(16) Uani 1 1 d . . . V4 V 0.52664(7) 0.49551(6) 0.73981(5) 0.02051(15) Uani 1 1 d . . . V5 V 0.52942(7) 0.79132(6) 0.23773(5) 0.02263(16) Uani 1 1 d . . . Na Na 0.93135(17) 0.66757(15) 0.87252(13) 0.0347(3) Uani 1 1 d . . . O1 O 0.4327(2) 0.6243(2) 0.39448(18) 0.0187(5) Uani 1 1 d . . . O2 O 0.6031(3) 0.6202(2) 0.58407(19) 0.0202(5) Uani 1 1 d . . . O3 O 0.3162(3) 0.6153(2) 0.61469(19) 0.0205(5) Uani 1 1 d . . . O4 O 0.4829(3) 0.8691(2) 0.3673(2) 0.0227(5) Uani 1 1 d . . . O5 O 0.7387(3) 0.6331(2) 0.3597(2) 0.0224(5) Uani 1 1 d . . . O6 O 0.1704(3) 0.8642(2) 0.4016(2) 0.0245(5) Uani 1 1 d . . . O7 O 0.2983(3) 0.8805(2) 0.1776(2) 0.0247(5) Uani 1 1 d . . . O8 O 0.4388(3) 0.3586(2) 0.82799(19) 0.0230(5) Uani 1 1 d . . . O9 O 0.8743(3) 0.3789(2) 0.5742(2) 0.0226(5) Uani 1 1 d . . . O10 O 0.7492(3) 0.3655(2) 0.79312(19) 0.0232(5) Uani 1 1 d . . . O11 O 0.6103(3) 0.8963(3) 0.1390(2) 0.0324(6) Uani 1 1 d . . . O12 O 0.3420(3) 0.8821(3) 0.5846(2) 0.0293(5) Uani 1 1 d . . . O13 O -0.0217(3) 0.8818(3) 0.2096(2) 0.0329(6) Uani 1 1 d . . . O14 O 0.4922(3) 0.5973(3) 0.8251(2) 0.0288(5) Uani 1 1 d . . . OW1 O 0.9785(4) 0.5105(4) 0.7591(3) 0.0512(8) Uani 1 1 d D . . H1A H 1.069(3) 0.467(4) 0.724(4) 0.061 Uiso 1 1 d D . . H1B H 0.908(4) 0.462(4) 0.765(4) 0.061 Uiso 1 1 d D . . OW2 O 1.0302(4) 0.8184(3) 0.7038(3) 0.0509(8) Uani 1 1 d D . . H2A H 0.988(5) 0.916(2) 0.661(4) 0.061 Uiso 1 1 d D . . H2B H 1.128(3) 0.772(4) 0.679(4) 0.061 Uiso 1 1 d D . . OW3 O 1.2084(3) 0.4852(3) 0.9867(2) 0.0369(6) Uani 1 1 d D . . H3A H 1.279(4) 0.480(4) 1.047(3) 0.044 Uiso 1 1 d D . . H3B H 1.282(4) 0.441(4) 0.939(3) 0.044 Uiso 1 1 d D . . OW4 O 0.6565(4) 0.8178(3) 0.7518(3) 0.0489(7) Uani 1 1 d D . . H4A H 0.589(5) 0.786(4) 0.724(4) 0.059 Uiso 1 1 d D . . H4B H 0.624(5) 0.915(2) 0.712(4) 0.059 Uiso 1 1 d D . . OW5 O 0.9309(4) 0.8282(3) 0.9737(2) 0.0445(7) Uani 1 1 d D . . H5A H 0.927(5) 0.801(4) 1.0549(17) 0.053 Uiso 1 1 d D . . H5B H 0.856(4) 0.921(3) 0.930(3) 0.053 Uiso 1 1 d D . . OW6 O 0.8208(3) 0.7906(2) 0.5098(2) 0.0208(5) Uani 1 1 d D . . H6A H 0.767(3) 0.8864(18) 0.467(3) 0.025 Uiso 1 1 d D . . H6B H 0.783(4) 0.736(3) 0.500(3) 0.025 Uiso 1 1 d D . . H6C H 0.905(3) 0.771(3) 0.558(3) 0.025 Uiso 1 1 d D . . OW7 O 1.2842(4) 0.8239(4) 0.9296(3) 0.0594(9) Uani 1 1 d D . . H7A H 1.330(4) 0.780(5) 1.014(2) 0.071 Uiso 1 1 d D . . H7B H 1.352(4) 0.760(4) 0.892(3) 0.071 Uiso 1 1 d D . . H7C H 1.178(3) 0.824(5) 0.928(4) 0.071 Uiso 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 V1 0.0244(3) 0.0151(3) 0.0210(3) -0.0079(2) 0.0017(2) -0.0047(2) V2 0.0173(3) 0.0165(3) 0.0188(3) -0.0070(2) 0.0019(2) -0.0053(2) V3 0.0206(3) 0.0193(3) 0.0237(3) -0.0047(2) -0.0024(2) -0.0041(2) V4 0.0241(3) 0.0186(3) 0.0178(3) -0.0083(2) 0.0017(2) -0.0061(2) V5 0.0240(3) 0.0193(3) 0.0213(3) -0.0045(2) 0.0018(2) -0.0082(2) Na 0.0378(9) 0.0298(8) 0.0357(8) -0.0121(7) 0.0035(6) -0.0130(7) O1 0.0191(12) 0.0136(11) 0.0203(11) -0.0058(9) 0.0013(8) -0.0039(9) O2 0.0224(12) 0.0189(11) 0.0195(11) -0.0087(9) 0.0014(8) -0.0070(9) O3 0.0215(12) 0.0178(11) 0.0208(11) -0.0098(9) 0.0029(8) -0.0041(9) O4 0.0263(12) 0.0149(11) 0.0246(12) -0.0050(9) 0.0008(9) -0.0080(9) O5 0.0216(12) 0.0214(12) 0.0230(11) -0.0076(10) 0.0040(9) -0.0083(10) O6 0.0245(12) 0.0193(12) 0.0250(12) -0.0094(10) 0.0003(9) -0.0028(10) O7 0.0250(12) 0.0198(12) 0.0232(11) -0.0051(10) -0.0018(9) -0.0054(10) O8 0.0248(12) 0.0223(12) 0.0203(11) -0.0081(10) 0.0037(9) -0.0077(10) O9 0.0201(12) 0.0214(12) 0.0229(11) -0.0074(10) 0.0019(9) -0.0056(9) O10 0.0207(12) 0.0243(12) 0.0212(11) -0.0077(10) -0.0011(8) -0.0059(10) O11 0.0343(14) 0.0299(14) 0.0301(13) -0.0049(11) 0.0068(10) -0.0163(12) O12 0.0349(14) 0.0216(12) 0.0319(13) -0.0147(11) 0.0036(10) -0.0077(11) O13 0.0268(13) 0.0273(13) 0.0356(14) -0.0083(11) -0.0053(10) -0.0042(11) O14 0.0360(14) 0.0279(13) 0.0252(12) -0.0151(11) 0.0045(10) -0.0111(11) OW1 0.0436(18) 0.062(2) 0.079(2) -0.0540(19) 0.0326(16) -0.0304(16) OW2 0.053(2) 0.0347(16) 0.0575(19) -0.0149(15) 0.0295(15) -0.0146(15) OW3 0.0319(15) 0.0457(17) 0.0288(14) -0.0150(13) 0.0062(11) -0.0105(13) OW4 0.0452(18) 0.0245(14) 0.068(2) -0.0082(14) -0.0173(14) -0.0102(13) OW5 0.0575(19) 0.0338(16) 0.0296(14) -0.0104(13) -0.0032(13) -0.0061(14) OW6 0.0205(13) 0.0158(11) 0.0276(12) -0.0115(10) -0.0003(9) -0.0055(10) OW7 0.063(2) 0.052(2) 0.0476(18) -0.0215(16) -0.0034(15) -0.0032(17) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 V1 O12 1.613(2) . ? V1 O4 1.822(2) . ? V1 O6 1.825(2) . ? V1 O2 1.993(2) . ? V1 O3 2.004(2) . ? V1 O1 2.2467(19) . ? V1 V4 3.0762(8) . ? V1 V3 3.0946(8) . ? V2 O9 1.684(2) . ? V2 O5 1.704(2) . ? V2 O2 1.918(2) . ? V2 O3 1.920(2) 2_666 ? V2 O1 2.101(2) 2_666 ? V2 O1 2.120(2) . ? V2 V3 3.0637(8) 2_666 ? V2 V5 3.0918(8) . ? V3 O13 1.607(2) . ? V3 O7 1.833(2) . ? V3 O6 1.870(2) . ? V3 O10 1.888(2) 2_666 ? V3 O9 2.051(2) 2_666 ? V3 O1 2.291(2) . ? V3 V2 3.0637(8) 2_666 ? V3 V5 3.0861(8) . ? V3 V4 3.1121(8) 2_666 ? V4 O14 1.617(2) . ? V4 O10 1.818(2) . ? V4 O8 1.819(2) . ? V4 O3 1.994(2) . ? V4 O2 2.021(2) . ? V4 O1 2.2301(19) 2_666 ? V4 V3 3.1121(8) 2_666 ? V5 O11 1.592(2) . ? V5 O7 1.855(2) . ? V5 O4 1.874(2) . ? V5 O8 1.888(2) 2_666 ? V5 O5 2.020(2) . ? V5 O1 2.359(2) . ? Na OW1 2.334(3) . ? Na OW2 2.345(3) . ? Na OW5 2.345(3) . ? Na OW4 2.384(3) . ? Na OW3 2.420(3) . ? Na OW3 2.433(3) 2_767 ? Na Na 3.415(3) 2_767 ? O1 V2 2.101(2) 2_666 ? O1 V4 2.2301(19) 2_666 ? O3 V2 1.919(2) 2_666 ? O8 V5 1.888(2) 2_666 ? O9 V3 2.051(2) 2_666 ? O10 V3 1.888(2) 2_666 ? OW1 H1A 0.882(18) . ? OW1 H1B 0.909(18) . ? OW2 H2A 0.874(18) . ? OW2 H2B 0.873(18) . ? OW3 Na 2.433(3) 2_767 ? OW3 H3A 0.908(18) . ? OW3 H3B 0.908(18) . ? OW4 H4A 0.889(18) . ? OW4 H4B 0.873(18) . ? OW5 H5A 0.857(18) . ? OW5 H5B 0.887(18) . ? OW6 H6A 0.869(15) . ? OW6 H6B 0.801(15) . ? OW6 H6C 0.831(15) . ? OW7 H7A 0.917(17) . ? OW7 H7B 0.915(18) . ? OW7 H7C 0.900(17) . ? 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 O12 V1 O4 103.56(11) . . ? O12 V1 O6 102.60(11) . . ? O4 V1 O6 94.91(10) . . ? O12 V1 O2 99.99(10) . . ? O4 V1 O2 90.08(9) . . ? O6 V1 O2 154.99(9) . . ? O12 V1 O3 99.49(10) . . ? O4 V1 O3 154.94(9) . . ? O6 V1 O3 89.49(10) . . ? O2 V1 O3 76.26(9) . . ? O12 V1 O1 174.27(10) . . ? O4 V1 O1 80.77(8) . . ? O6 V1 O1 80.56(8) . . ? O2 V1 O1 76.08(8) . . ? O3 V1 O1 75.63(8) . . ? O12 V1 V4 89.47(8) . . ? O4 V1 V4 130.38(7) . . ? O6 V1 V4 129.08(7) . . ? O2 V1 V4 40.31(6) . . ? O3 V1 V4 39.59(6) . . ? O1 V1 V4 84.84(5) . . ? O12 V1 V3 136.01(9) . . ? O4 V1 V3 83.28(7) . . ? O6 V1 V3 33.57(7) . . ? O2 V1 V3 123.66(6) . . ? O3 V1 V3 86.96(6) . . ? O1 V1 V3 47.61(5) . . ? V4 V1 V3 119.27(2) . . ? O9 V2 O5 107.04(11) . . ? O9 V2 O2 97.29(10) . . ? O5 V2 O2 96.77(10) . . ? O9 V2 O3 97.26(10) . 2_666 ? O5 V2 O3 97.06(10) . 2_666 ? O2 V2 O3 156.01(9) . 2_666 ? O9 V2 O1 87.39(9) . 2_666 ? O5 V2 O1 165.57(9) . 2_666 ? O2 V2 O1 80.78(8) . 2_666 ? O3 V2 O1 80.95(8) 2_666 2_666 ? O9 V2 O1 166.01(9) . . ? O5 V2 O1 86.95(9) . . ? O2 V2 O1 80.75(8) . . ? O3 V2 O1 80.52(8) 2_666 . ? O1 V2 O1 78.62(9) 2_666 . ? O9 V2 V3 39.02(7) . 2_666 ? O5 V2 V3 146.06(8) . 2_666 ? O2 V2 V3 90.03(7) . 2_666 ? O3 V2 V3 89.35(7) 2_666 2_666 ? O1 V2 V3 48.37(6) 2_666 2_666 ? O1 V2 V3 126.99(6) . 2_666 ? O9 V2 V5 144.33(8) . . ? O5 V2 V5 37.30(7) . . ? O2 V2 V5 89.43(7) . . ? O3 V2 V5 89.79(7) 2_666 . ? O1 V2 V5 128.27(6) 2_666 . ? O1 V2 V5 49.66(6) . . ? V3 V2 V5 176.64(2) 2_666 . ? O13 V3 O7 104.70(11) . . ? O13 V3 O6 100.94(11) . . ? O7 V3 O6 92.62(10) . . ? O13 V3 O10 102.20(11) . 2_666 ? O7 V3 O10 90.90(10) . 2_666 ? O6 V3 O10 154.87(10) . 2_666 ? O13 V3 O9 98.09(11) . 2_666 ? O7 V3 O9 157.18(9) . 2_666 ? O6 V3 O9 83.87(9) . 2_666 ? O10 V3 O9 83.30(9) 2_666 2_666 ? O13 V3 O1 172.51(10) . . ? O7 V3 O1 82.78(8) . . ? O6 V3 O1 78.48(8) . . ? O10 V3 O1 77.30(8) 2_666 . ? O9 V3 O1 74.42(8) 2_666 . ? O13 V3 V2 129.23(9) . 2_666 ? O7 V3 V2 126.06(7) . 2_666 ? O6 V3 V2 79.14(7) . 2_666 ? O10 V3 V2 78.71(7) 2_666 2_666 ? O9 V3 V2 31.14(6) 2_666 2_666 ? O1 V3 V2 43.28(5) . 2_666 ? O13 V3 V5 138.11(9) . . ? O7 V3 V5 33.41(7) . . ? O6 V3 V5 85.01(7) . . ? O10 V3 V5 84.32(7) 2_666 . ? O9 V3 V5 123.80(6) 2_666 . ? O1 V3 V5 49.38(5) . . ? V2 V3 V5 92.66(2) 2_666 . ? O13 V3 V1 133.58(9) . . ? O7 V3 V1 82.87(7) . . ? O6 V3 V1 32.67(7) . . ? O10 V3 V1 123.70(7) 2_666 . ? O9 V3 V1 82.11(6) 2_666 . ? O1 V3 V1 46.41(5) . . ? V2 V3 V1 61.857(17) 2_666 . ? V5 V3 V1 60.936(17) . . ? O13 V3 V4 134.37(9) . 2_666 ? O7 V3 V4 81.65(7) . 2_666 ? O6 V3 V4 124.17(7) . 2_666 ? O10 V3 V4 32.21(6) 2_666 2_666 ? O9 V3 V4 81.77(6) 2_666 2_666 ? O1 V3 V4 45.69(5) . 2_666 ? V2 V3 V4 61.762(17) 2_666 2_666 ? V5 V3 V4 60.618(18) . 2_666 ? V1 V3 V4 91.83(2) . 2_666 ? O14 V4 O10 102.63(11) . . ? O14 V4 O8 102.77(11) . . ? O10 V4 O8 94.81(10) . . ? O14 V4 O3 100.01(11) . . ? O10 V4 O3 154.73(9) . . ? O8 V4 O3 90.99(9) . . ? O14 V4 O2 99.67(10) . . ? O10 V4 O2 89.33(9) . . ? O8 V4 O2 155.66(9) . . ? O3 V4 O2 75.86(9) . . ? O14 V4 O1 174.44(10) . 2_666 ? O10 V4 O1 80.30(8) . 2_666 ? O8 V4 O1 81.55(8) . 2_666 ? O3 V4 O1 76.26(8) . 2_666 ? O2 V4 O1 75.52(8) . 2_666 ? O14 V4 V1 89.67(8) . . ? O10 V4 V1 128.97(7) . . ? O8 V4 V1 130.82(7) . . ? O3 V4 V1 39.83(6) . . ? O2 V4 V1 39.64(6) . . ? O1 V4 V1 84.84(5) 2_666 . ? O14 V4 V3 136.07(9) . 2_666 ? O10 V4 V3 33.61(7) . 2_666 ? O8 V4 V3 83.54(7) . 2_666 ? O3 V4 V3 123.54(6) . 2_666 ? O2 V4 V3 86.83(6) . 2_666 ? O1 V4 V3 47.32(5) 2_666 2_666 ? V1 V4 V3 119.12(2) . 2_666 ? O11 V5 O7 104.42(11) . . ? O11 V5 O4 102.40(11) . . ? O7 V5 O4 90.82(10) . . ? O11 V5 O8 103.53(11) . 2_666 ? O7 V5 O8 89.89(10) . 2_666 ? O4 V5 O8 153.01(10) . 2_666 ? O11 V5 O5 101.20(11) . . ? O7 V5 O5 154.38(9) . . ? O4 V5 O5 83.80(9) . . ? O8 V5 O5 83.97(9) 2_666 . ? O11 V5 O1 175.11(11) . . ? O7 V5 O1 80.44(8) . . ? O4 V5 O1 76.77(8) . . ? O8 V5 O1 76.76(8) 2_666 . ? O5 V5 O1 73.94(8) . . ? O11 V5 V3 137.36(9) . . ? O7 V5 V3 32.96(7) . . ? O4 V5 V3 82.76(7) . . ? O8 V5 V3 83.26(7) 2_666 . ? O5 V5 V3 121.42(6) . . ? O1 V5 V3 47.48(5) . . ? O11 V5 V2 131.93(9) . . ? O7 V5 V2 123.65(7) . . ? O4 V5 V2 78.44(7) . . ? O8 V5 V2 78.77(7) 2_666 . ? O5 V5 V2 30.73(6) . . ? O1 V5 V2 43.21(5) . . ? V3 V5 V2 90.69(2) . . ? OW1 Na OW2 87.69(11) . . ? OW1 Na OW5 169.58(12) . . ? OW2 Na OW5 84.34(11) . . ? OW1 Na OW4 88.21(12) . . ? OW2 Na OW4 85.32(12) . . ? OW5 Na OW4 97.79(11) . . ? OW1 Na OW3 83.78(11) . . ? OW2 Na OW3 97.50(11) . . ? OW5 Na OW3 90.61(10) . . ? OW4 Na OW3 171.38(11) . . ? OW1 Na OW3 84.87(10) . 2_767 ? OW2 Na OW3 168.38(12) . 2_767 ? OW5 Na OW3 104.01(10) . 2_767 ? OW4 Na OW3 85.54(10) . 2_767 ? OW3 Na OW3 90.56(9) . 2_767 ? OW1 Na Na 81.93(10) . 2_767 ? OW2 Na Na 142.23(11) . 2_767 ? OW5 Na Na 100.37(9) . 2_767 ? OW4 Na Na 130.18(10) . 2_767 ? OW3 Na Na 45.44(7) . 2_767 ? OW3 Na Na 45.12(7) 2_767 2_767 ? V2 O1 V2 101.38(9) 2_666 . ? V2 O1 V4 94.04(8) 2_666 2_666 ? V2 O1 V4 92.93(7) . 2_666 ? V2 O1 V1 93.37(7) 2_666 . ? V2 O1 V1 92.70(7) . . ? V4 O1 V1 169.63(10) 2_666 . ? V2 O1 V3 88.34(7) 2_666 . ? V2 O1 V3 170.25(10) . . ? V4 O1 V3 86.99(7) 2_666 . ? V1 O1 V3 85.99(7) . . ? V2 O1 V5 171.47(10) 2_666 . ? V2 O1 V5 87.14(7) . . ? V4 O1 V5 85.88(7) 2_666 . ? V1 O1 V5 85.71(7) . . ? V3 O1 V5 83.14(7) . . ? V2 O2 V1 107.79(10) . . ? V2 O2 V4 107.14(10) . . ? V1 O2 V4 100.05(9) . . ? V2 O3 V4 107.38(10) 2_666 . ? V2 O3 V1 107.52(9) 2_666 . ? V4 O3 V1 100.58(9) . . ? V1 O4 V5 115.94(11) . . ? V2 O5 V5 111.97(11) . . ? V1 O6 V3 113.76(11) . . ? V3 O7 V5 113.63(11) . . ? V4 O8 V5 115.07(10) . 2_666 ? V2 O9 V3 109.83(11) . 2_666 ? V4 O10 V3 114.19(11) . 2_666 ? Na OW1 H1A 132(2) . . ? Na OW1 H1B 119(2) . . ? H1A OW1 H1B 107(3) . . ? Na OW2 H2A 131(3) . . ? Na OW2 H2B 116(2) . . ? H2A OW2 H2B 113(3) . . ? Na OW3 Na 89.44(9) . 2_767 ? Na OW3 H3A 134(2) . . ? Na OW3 H3A 98(2) 2_767 . ? Na OW3 H3B 115(2) . . ? Na OW3 H3B 115(2) 2_767 . ? H3A OW3 H3B 103(2) . . ? Na OW4 H4A 127(3) . . ? Na OW4 H4B 121(3) . . ? H4A OW4 H4B 111(3) . . ? Na OW5 H5A 119(3) . . ? Na OW5 H5B 110(3) . . ? H5A OW5 H5B 113(3) . . ? H6A OW6 H6B 117(2) . . ? H6A OW6 H6C 112(2) . . ? H6B OW6 H6C 130(2) . . ? H7A OW7 H7B 105(2) . . ? H7A OW7 H7C 108(3) . . ? H7B OW7 H7C 108(2) . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 27.49 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.634 _refine_diff_density_min -0.655 _refine_diff_density_rms 0.137