data_veat1a _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H3.50 B5.50 O11 Sr' _chemical_formula_weight 326.60 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' 'B' 'B' 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sr' 'Sr' -1.5307 3.2498 '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 6.638 _cell_length_b 6.739 _cell_length_c 20.982 _cell_angle_alpha 87.86 _cell_angle_beta 82.70 _cell_angle_gamma 60.48 _cell_volume 809.7 _cell_formula_units_Z 4 _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 ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.679 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 628 _exptl_absorpt_coefficient_mu 6.717 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 4796 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0171 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 0.98 _diffrn_reflns_theta_max 30.15 _reflns_number_total 4796 _reflns_number_gt 4679 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0551P)^2^+5.0223P] 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 SHELXL _refine_ls_extinction_coef 0.0037(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 4796 _refine_ls_number_parameters 348 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0344 _refine_ls_R_factor_gt 0.0336 _refine_ls_wR_factor_ref 0.0926 _refine_ls_wR_factor_gt 0.0920 _refine_ls_goodness_of_fit_ref 0.903 _refine_ls_restrained_S_all 0.903 _refine_ls_shift/su_max 0.409 _refine_ls_shift/su_mean 0.010 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 Sr1 Sr 0.31005(3) 0.34956(3) 0.059592(9) 0.01025(4) Uani 0.9840(7) 1 d P . . Sr2 Sr 0.34464(3) 0.84380(3) 0.447821(9) 0.00983(4) Uani 0.9747(7) 1 d P . . B1 B 0.2661(3) 1.3453(3) 0.42679(10) 0.0091(4) Uani 1 1 d . . . B2 B 0.6547(4) 0.4989(4) 0.19080(11) 0.0141(5) Uani 1 1 d . . . B3 B -0.1229(4) 0.9461(4) 0.30662(11) 0.0158(5) Uani 1 1 d . . . B4 B 0.2077(3) 0.9394(3) 0.06618(10) 0.0090(4) Uani 1 1 d . . . B5 B -0.1371(3) 1.4311(3) 0.43125(11) 0.0097(4) Uani 1 1 d . . . B6 B 0.2322(4) 0.3299(4) 0.21354(12) 0.0167(5) Uani 1 1 d . . . B7 B -0.1080(3) 0.8550(3) 0.07135(10) 0.0103(4) Uani 1 1 d . . . B8 B 0.0425(3) 1.2606(3) 0.59149(10) 0.0085(4) Uani 1 1 d . . . B9 B 0.8030(3) 0.2545(3) 0.09105(10) 0.0091(4) Uani 1 1 d . . . B10 B 0.2860(3) 0.8396(3) 0.59119(10) 0.0078(4) Uani 1 1 d . . . B11 B 0.6242(3) 0.6757(3) 0.08682(10) 0.0083(4) Uani 1 1 d . . . O1 O 0.4851(2) 1.1727(2) 0.43212(7) 0.0109(3) Uani 1 1 d . . . O2 O 0.0996(2) 1.2731(2) 0.42602(7) 0.0107(3) Uani 1 1 d . . . O3 O 0.1963(2) 0.5713(2) 0.42408(7) 0.0120(3) Uani 1 1 d . . . O4 O 0.7694(2) 0.2861(2) 0.16202(7) 0.0139(3) Uani 1 1 d . . . O5 O 0.5750(2) 0.6933(2) 0.15660(7) 0.0146(3) Uani 1 1 d . . . OH6 O 0.6143(4) 0.5253(3) 0.25625(8) 0.0297(5) Uani 1 1 d . . . O7 O 0.2443(2) 0.8454(2) 0.66116(7) 0.0128(3) Uani 1 1 d . . . O8 O -0.0350(2) 0.7461(2) 0.33865(7) 0.0143(3) Uani 1 1 d . . . OH9 O -0.0855(4) 0.9280(3) 0.24113(8) 0.0314(5) Uani 1 1 d . . . O10 O 0.0515(2) 1.1665(2) 0.06762(7) 0.0120(3) Uani 1 1 d . . . O11 O 0.4396(2) 0.8727(2) 0.05696(7) 0.0105(3) Uani 1 1 d . . . O12 O 0.1290(2) 0.7837(2) 0.07103(7) 0.0126(3) Uani 1 1 d . . . O13 O 0.3028(2) 0.6311(2) 0.56376(7) 0.0108(3) Uani 1 1 d . . . O14 O 0.7927(2) 0.6582(2) 0.43436(7) 0.0114(3) Uani 1 1 d . . . OH15 O 0.3392(3) 1.1444(3) 0.17376(8) 0.0231(4) Uani 1 1 d . . . OH16 O 0.2062(4) 0.3221(3) 0.27883(9) 0.0356(6) Uani 1 1 d . . . OH17 O 0.1559(4) 0.5254(3) 0.17982(8) 0.0295(5) Uani 1 1 d . . . O18 O 0.8451(2) 0.6819(2) 0.06545(7) 0.0126(3) Uani 1 1 d . . . O19 O 0.7353(2) 0.0824(2) 0.07612(7) 0.0125(3) Uani 1 1 d . . . O20 O 0.1069(2) 1.0415(2) 0.56264(7) 0.0090(3) Uani 1 1 d . . . O21 O 0.6523(2) 0.4646(2) 0.06122(7) 0.0102(3) Uani 1 1 d . . . OW22 O 0.3696(4) 0.8974(3) 0.33220(9) 0.0348(6) Uani 1 1 d . . . H6 H 0.656(4) 0.436(4) 0.2739(14) 0.011(6) Uiso 1 1 d . . . H9 H -0.155(7) 1.053(7) 0.224(2) 0.052(12) Uiso 1 1 d . . . H15 H 0.414(5) 1.016(5) 0.1852(15) 0.021(8) Uiso 1 1 d . . . H16 H 0.150(6) 0.439(6) 0.2891(18) 0.039(10) Uiso 1 1 d . . . H17 H 0.067(9) 0.689(9) 0.212(3) 0.10(2) Uiso 1 1 d . . . H221 H 0.418(7) 0.814(7) 0.307(2) 0.059(13) Uiso 1 1 d . . . H222 H 0.320(6) 1.011(6) 0.3135(18) 0.039(10) Uiso 1 1 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 Sr1 0.00903(6) 0.00682(6) 0.01586(8) -0.00015(5) -0.00124(5) -0.00468(4) Sr2 0.00905(6) 0.00690(6) 0.01463(8) 0.00060(5) -0.00179(5) -0.00472(4) B1 0.0066(6) 0.0068(6) 0.0158(8) 0.0000(6) -0.0014(6) -0.0046(5) B2 0.0179(7) 0.0111(7) 0.0139(9) -0.0002(6) -0.0014(7) -0.0078(6) B3 0.0227(8) 0.0088(7) 0.0147(9) 0.0006(7) -0.0021(7) -0.0070(6) B4 0.0091(6) 0.0093(6) 0.0114(8) 0.0010(6) -0.0021(6) -0.0064(5) B5 0.0086(6) 0.0041(6) 0.0173(9) 0.0011(6) -0.0031(6) -0.0036(5) B6 0.0195(8) 0.0122(7) 0.0173(9) 0.0009(7) -0.0018(7) -0.0072(6) B7 0.0095(6) 0.0100(6) 0.0127(8) -0.0003(6) -0.0007(6) -0.0058(5) B8 0.0067(6) 0.0047(6) 0.0146(8) -0.0013(6) -0.0020(6) -0.0030(5) B9 0.0091(6) 0.0042(6) 0.0150(8) -0.0009(6) -0.0016(6) -0.0040(5) B10 0.0087(6) 0.0023(6) 0.0130(8) 0.0006(6) -0.0019(6) -0.0031(4) B11 0.0055(6) 0.0054(6) 0.0136(8) -0.0001(6) -0.0010(6) -0.0024(5) O1 0.0069(4) 0.0053(4) 0.0221(6) 0.0002(4) -0.0011(4) -0.0042(3) O2 0.0051(4) 0.0049(4) 0.0233(6) 0.0002(4) -0.0033(4) -0.0028(3) O3 0.0067(4) 0.0047(4) 0.0252(7) 0.0021(4) -0.0043(4) -0.0028(3) O4 0.0188(5) 0.0073(5) 0.0137(6) 0.0005(4) -0.0014(5) -0.0052(4) O5 0.0201(5) 0.0080(5) 0.0126(6) -0.0010(4) 0.0001(5) -0.0050(4) OH6 0.0522(10) 0.0099(6) 0.0142(7) 0.0027(5) -0.0013(7) -0.0062(6) O7 0.0169(5) 0.0066(5) 0.0116(6) 0.0013(4) -0.0017(5) -0.0034(4) O8 0.0226(5) 0.0072(5) 0.0128(6) 0.0012(4) -0.0040(5) -0.0067(4) OH9 0.0540(11) 0.0083(6) 0.0148(7) -0.0007(5) -0.0012(7) -0.0030(7) O10 0.0071(4) 0.0081(4) 0.0212(6) -0.0003(4) -0.0011(4) -0.0040(3) O11 0.0077(4) 0.0081(4) 0.0170(6) 0.0020(4) -0.0027(4) -0.0046(3) O12 0.0098(4) 0.0066(4) 0.0239(7) 0.0016(4) -0.0041(5) -0.0054(3) O13 0.0098(4) 0.0058(4) 0.0186(6) -0.0013(4) -0.0006(4) -0.0055(3) O14 0.0079(4) 0.0058(4) 0.0223(6) 0.0006(4) -0.0015(4) -0.0049(3) OH15 0.0331(7) 0.0103(5) 0.0201(7) -0.0021(5) -0.0009(6) -0.0067(5) OH16 0.0593(11) 0.0107(6) 0.0204(8) -0.0008(6) 0.0016(8) -0.0063(7) OH17 0.0526(10) 0.0128(6) 0.0145(7) 0.0023(5) -0.0030(7) -0.0099(6) O18 0.0095(4) 0.0074(4) 0.0236(7) -0.0009(4) -0.0017(5) -0.0063(3) O19 0.0074(4) 0.0072(4) 0.0253(7) -0.0002(4) -0.0030(5) -0.0053(3) O20 0.0093(4) 0.0039(4) 0.0143(6) 0.0006(4) -0.0040(4) -0.0032(3) O21 0.0098(4) 0.0042(4) 0.0168(6) -0.0008(4) -0.0032(4) -0.0033(3) OW22 0.0599(11) 0.0153(7) 0.0156(8) 0.0012(6) 0.0011(8) -0.0096(7) _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 Sr1 O10 2.5483(16) 1_545 ? Sr1 O19 2.5541(12) . ? Sr1 O12 2.5640(13) . ? Sr1 OH17 2.6808(17) . ? Sr1 OH15 2.7008(17) 1_545 ? Sr1 O21 2.7422(16) . ? Sr1 O18 2.7693(11) 1_455 ? Sr1 O11 2.7879(13) 2_665 ? Sr1 O21 2.8226(15) 2_665 ? Sr1 O11 2.8891(14) 1_545 ? Sr1 O18 2.9888(16) 2_665 ? Sr1 B11 3.047(2) 2_665 ? Sr2 OW22 2.4362(18) . ? Sr2 O3 2.5619(16) . ? Sr2 O14 2.5759(12) . ? Sr2 O2 2.5836(12) . ? Sr2 O20 2.6964(13) . ? Sr2 O20 2.7387(13) 2_576 ? Sr2 O1 2.7919(15) . ? Sr2 O13 2.8303(15) . ? Sr2 O1 2.8661(15) 2_676 ? Sr2 O13 2.8825(11) 2_666 ? Sr2 B10 2.985(2) . ? Sr2 B5 3.1670(16) 1_645 ? B1 O3 1.358(2) 1_565 ? B1 O1 1.358(2) . ? B1 O2 1.412(3) . ? B2 O5 1.362(3) . ? B2 OH6 1.366(3) . ? B2 O4 1.368(2) . ? B3 OH9 1.364(3) . ? B3 O8 1.366(3) . ? B3 O7 1.377(2) 2_576 ? B4 O10 1.360(2) . ? B4 O11 1.363(2) . ? B4 O12 1.379(3) . ? B4 Sr1 3.150(2) 1_565 ? B5 O13 1.348(3) 2_576 ? B5 O14 1.364(2) 1_465 ? B5 O2 1.389(2) . ? B5 Sr2 3.1670(16) 1_465 ? B6 OH15 1.347(3) 1_545 ? B6 OH16 1.361(3) . ? B6 OH17 1.363(3) . ? B7 O18 1.361(3) 1_455 ? B7 O19 1.361(2) 1_465 ? B7 O12 1.400(2) . ? B8 O20 1.452(2) . ? B8 O8 1.460(3) 2_576 ? B8 O14 1.486(3) 2_676 ? B8 O3 1.496(2) 2_576 ? B8 Sr2 3.185(2) 2_576 ? B9 O21 1.447(2) . ? B9 O10 1.472(2) 1_645 ? B9 O4 1.485(3) . ? B9 O19 1.491(3) . ? B10 O7 1.457(2) . ? B10 O20 1.466(2) . ? B10 O13 1.486(3) . ? B10 O1 1.498(2) 2_676 ? B11 O5 1.455(3) . ? B11 O21 1.455(3) . ? B11 O11 1.479(2) . ? B11 O18 1.498(3) . ? B11 Sr1 3.047(2) 2_665 ? O1 B10 1.498(2) 2_676 ? O1 Sr2 2.8661(15) 2_676 ? O3 B1 1.358(2) 1_545 ? O3 B8 1.496(2) 2_576 ? O7 B3 1.377(2) 2_576 ? O8 B8 1.460(3) 2_576 ? O10 B9 1.472(2) 1_465 ? O10 Sr1 2.5483(16) 1_565 ? O11 Sr1 2.7879(13) 2_665 ? O11 Sr1 2.8891(14) 1_565 ? O13 B5 1.348(3) 2_576 ? O13 Sr2 2.8825(11) 2_666 ? O14 B5 1.364(2) 1_645 ? O14 B8 1.486(3) 2_676 ? OH15 B6 1.347(3) 1_565 ? OH15 Sr1 2.7008(17) 1_565 ? O18 B7 1.361(3) 1_655 ? O18 Sr1 2.7693(11) 1_655 ? O18 Sr1 2.9888(16) 2_665 ? O19 B7 1.361(2) 1_645 ? O20 Sr2 2.7387(13) 2_576 ? O21 Sr1 2.8226(15) 2_665 ? 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 O10 Sr1 O19 115.49(4) 1_545 . ? O10 Sr1 O12 120.54(4) 1_545 . ? O19 Sr1 O12 121.13(5) . . ? O10 Sr1 OH17 92.86(6) 1_545 . ? O19 Sr1 OH17 97.43(6) . . ? O12 Sr1 OH17 64.18(5) . . ? O10 Sr1 OH15 71.44(6) 1_545 1_545 ? O19 Sr1 OH15 69.10(5) . 1_545 ? O12 Sr1 OH15 113.08(5) . 1_545 ? OH17 Sr1 OH15 49.07(5) . 1_545 ? O10 Sr1 O21 168.25(4) 1_545 . ? O19 Sr1 O21 53.04(4) . . ? O12 Sr1 O21 69.72(4) . . ? OH17 Sr1 O21 86.77(6) . . ? OH15 Sr1 O21 99.82(5) 1_545 . ? O10 Sr1 O18 69.66(4) 1_545 1_455 ? O19 Sr1 O18 168.05(5) . 1_455 ? O12 Sr1 O18 51.34(5) . 1_455 ? OH17 Sr1 O18 71.13(5) . 1_455 ? OH15 Sr1 O18 104.13(5) 1_545 1_455 ? O21 Sr1 O18 121.03(4) . 1_455 ? O10 Sr1 O11 93.94(5) 1_545 2_665 ? O19 Sr1 O11 70.96(4) . 2_665 ? O12 Sr1 O11 119.67(4) . 2_665 ? OH17 Sr1 O11 168.23(5) . 2_665 ? OH15 Sr1 O11 124.85(4) 1_545 2_665 ? O21 Sr1 O11 84.61(4) . 2_665 ? O18 Sr1 O11 120.33(4) 1_455 2_665 ? O10 Sr1 O21 114.03(5) 1_545 2_665 ? O19 Sr1 O21 102.99(4) . 2_665 ? O12 Sr1 O21 69.77(4) . 2_665 ? OH17 Sr1 O21 133.79(5) . 2_665 ? OH15 Sr1 O21 172.04(5) 1_545 2_665 ? O21 Sr1 O21 73.90(5) . 2_665 ? O18 Sr1 O21 83.50(4) 1_455 2_665 ? O11 Sr1 O21 50.61(4) 2_665 2_665 ? O10 Sr1 O11 50.46(4) 1_545 1_545 ? O19 Sr1 O11 66.51(4) . 1_545 ? O12 Sr1 O11 170.45(4) . 1_545 ? OH17 Sr1 O11 110.61(5) . 1_545 ? OH15 Sr1 O11 62.86(5) 1_545 1_545 ? O21 Sr1 O11 118.88(4) . 1_545 ? O18 Sr1 O11 120.04(4) 1_455 1_545 ? O11 Sr1 O11 67.15(5) 2_665 1_545 ? O21 Sr1 O11 115.51(4) 2_665 1_545 ? O10 Sr1 O18 66.29(5) 1_545 2_665 ? O19 Sr1 O18 118.39(4) . 2_665 ? O12 Sr1 O18 99.70(4) . 2_665 ? OH17 Sr1 O18 143.44(5) . 2_665 ? OH15 Sr1 O18 135.65(5) 1_545 2_665 ? O21 Sr1 O18 119.71(4) . 2_665 ? O18 Sr1 O18 73.44(4) 1_455 2_665 ? O11 Sr1 O18 48.32(4) 2_665 2_665 ? O21 Sr1 O18 48.30(4) 2_665 2_665 ? O11 Sr1 O18 79.87(4) 1_545 2_665 ? O10 Sr1 B11 92.64(6) 1_545 2_665 ? O19 Sr1 B11 97.60(5) . 2_665 ? O12 Sr1 B11 96.50(5) . 2_665 ? OH17 Sr1 B11 159.90(5) . 2_665 ? OH15 Sr1 B11 150.37(5) 1_545 2_665 ? O21 Sr1 B11 91.67(5) . 2_665 ? O18 Sr1 B11 92.79(4) 1_455 2_665 ? O11 Sr1 B11 28.93(4) 2_665 2_665 ? O21 Sr1 B11 28.38(5) 2_665 2_665 ? O11 Sr1 B11 87.66(5) 1_545 2_665 ? O18 Sr1 B11 28.73(5) 2_665 2_665 ? OW22 Sr2 O3 85.30(7) . . ? OW22 Sr2 O14 86.90(7) . . ? O3 Sr2 O14 114.01(4) . . ? OW22 Sr2 O2 70.94(5) . . ? O3 Sr2 O2 119.67(4) . . ? O14 Sr2 O2 118.81(5) . . ? OW22 Sr2 O20 144.50(5) . . ? O3 Sr2 O20 104.28(5) . . ? O14 Sr2 O20 118.12(5) . . ? O2 Sr2 O20 74.75(4) . . ? OW22 Sr2 O20 84.04(7) . 2_576 ? O3 Sr2 O20 53.27(4) . 2_576 ? O14 Sr2 O20 164.92(4) . 2_576 ? O2 Sr2 O20 69.30(4) . 2_576 ? O20 Sr2 O20 75.52(5) . 2_576 ? OW22 Sr2 O1 76.39(7) . . ? O3 Sr2 O1 161.40(5) . . ? O14 Sr2 O1 68.79(4) . . ? O2 Sr2 O1 51.00(4) . . ? O20 Sr2 O1 89.15(4) . . ? O20 Sr2 O1 120.29(4) 2_576 . ? OW22 Sr2 O13 156.69(6) . . ? O3 Sr2 O13 72.23(5) . . ? O14 Sr2 O13 96.45(4) . . ? O2 Sr2 O13 125.58(4) . . ? O20 Sr2 O13 51.60(4) . . ? O20 Sr2 O13 87.30(4) 2_576 . ? O1 Sr2 O13 126.33(5) . . ? OW22 Sr2 O1 149.63(7) . 2_676 ? O3 Sr2 O1 120.16(5) . 2_676 ? O14 Sr2 O1 68.34(4) . 2_676 ? O2 Sr2 O1 105.07(4) . 2_676 ? O20 Sr2 O1 50.44(4) . 2_676 ? O20 Sr2 O1 123.65(4) 2_576 2_676 ? O1 Sr2 O1 78.31(5) . 2_676 ? O13 Sr2 O1 49.15(4) . 2_676 ? OW22 Sr2 O13 93.78(5) . 2_666 ? O3 Sr2 O13 65.30(4) . 2_666 ? O14 Sr2 O13 50.05(4) . 2_666 ? O2 Sr2 O13 162.64(4) . 2_666 ? O20 Sr2 O13 121.42(4) . 2_666 ? O20 Sr2 O13 118.52(4) 2_576 2_666 ? O1 Sr2 O13 118.60(4) . 2_666 ? O13 Sr2 O13 71.52(4) . 2_666 ? O1 Sr2 O13 83.79(4) 2_676 2_666 ? OW22 Sr2 B10 173.05(6) . . ? O3 Sr2 B10 99.45(6) . . ? O14 Sr2 B10 95.70(5) . . ? O2 Sr2 B10 102.20(5) . . ? O20 Sr2 B10 29.35(4) . . ? O20 Sr2 B10 94.70(5) 2_576 . ? O1 Sr2 B10 98.50(5) . . ? O13 Sr2 B10 29.46(5) . . ? O1 Sr2 B10 29.59(5) 2_676 . ? O13 Sr2 B10 92.82(4) 2_666 . ? OW22 Sr2 B5 90.20(6) . 1_645 ? O3 Sr2 B5 89.79(5) . 1_645 ? O14 Sr2 B5 24.86(5) . 1_645 ? O2 Sr2 B5 142.21(5) . 1_645 ? O20 Sr2 B5 123.35(5) . 1_645 ? O20 Sr2 B5 142.89(5) 2_576 1_645 ? O1 Sr2 B5 93.52(5) . 1_645 ? O13 Sr2 B5 83.74(5) . 1_645 ? O1 Sr2 B5 74.82(5) 2_676 1_645 ? O13 Sr2 B5 25.20(5) 2_666 1_645 ? B10 Sr2 B5 94.86(5) . 1_645 ? O3 B1 O1 126.74(19) 1_565 . ? O3 B1 O2 119.30(14) 1_565 . ? O1 B1 O2 113.93(16) . . ? O3 B1 Sr2 170.06(13) 1_565 . ? O1 B1 Sr2 61.28(10) . . ? O2 B1 Sr2 52.88(8) . . ? O5 B2 OH6 116.68(18) . . ? O5 B2 O4 122.54(19) . . ? OH6 B2 O4 120.78(19) . . ? OH9 B3 O8 116.43(18) . . ? OH9 B3 O7 121.90(18) . 2_576 ? O8 B3 O7 121.67(19) . 2_576 ? O10 B4 O11 118.32(19) . . ? O10 B4 O12 119.72(16) . . ? O11 B4 O12 121.89(15) . . ? O10 B4 Sr1 51.99(10) . 1_565 ? O11 B4 Sr1 66.45(11) . 1_565 ? O12 B4 Sr1 171.64(11) . 1_565 ? O13 B5 O14 118.05(14) 2_576 1_465 ? O13 B5 O2 122.51(16) 2_576 . ? O14 B5 O2 119.37(18) 1_465 . ? O13 B5 Sr2 65.52(8) 2_576 1_465 ? O14 B5 Sr2 52.54(8) 1_465 1_465 ? O2 B5 Sr2 171.71(15) . 1_465 ? OH15 B6 OH16 124.3(2) 1_545 . ? OH15 B6 OH17 111.1(2) 1_545 . ? OH16 B6 OH17 124.6(2) . . ? OH15 B6 Sr1 55.93(11) 1_545 . ? OH16 B6 Sr1 177.9(2) . . ? OH17 B6 Sr1 55.19(11) . . ? O18 B7 O19 126.89(17) 1_455 1_465 ? O18 B7 O12 114.21(14) 1_455 . ? O19 B7 O12 118.88(19) 1_465 . ? O18 B7 Sr1 61.30(8) 1_455 . ? O19 B7 Sr1 171.77(16) 1_465 . ? O12 B7 Sr1 52.91(8) . . ? O20 B8 O8 112.51(15) . 2_576 ? O20 B8 O14 111.44(14) . 2_676 ? O8 B8 O14 108.11(17) 2_576 2_676 ? O20 B8 O3 107.78(16) . 2_576 ? O8 B8 O3 107.98(13) 2_576 2_576 ? O14 B8 O3 108.91(15) 2_676 2_576 ? O20 B8 Sr2 59.09(9) . 2_576 ? O8 B8 Sr2 108.62(13) 2_576 2_576 ? O14 B8 Sr2 142.64(13) 2_676 2_576 ? O3 B8 Sr2 52.37(9) 2_576 2_576 ? O21 B9 O10 112.64(16) . 1_645 ? O21 B9 O4 110.89(13) . . ? O10 B9 O4 108.63(16) 1_645 . ? O21 B9 O19 107.61(16) . . ? O10 B9 O19 109.15(13) 1_645 . ? O4 B9 O19 107.79(16) . . ? O21 B9 Sr1 59.99(9) . . ? O10 B9 Sr1 147.07(13) 1_645 . ? O4 B9 Sr1 103.57(11) . . ? O19 B9 Sr1 52.79(7) . . ? O7 B10 O20 112.95(13) . . ? O7 B10 O13 110.93(16) . . ? O20 B10 O13 109.33(16) . . ? O7 B10 O1 111.66(16) . 2_676 ? O20 B10 O1 106.50(15) . 2_676 ? O13 B10 O1 105.08(12) . 2_676 ? O7 B10 Sr2 177.01(11) . . ? O20 B10 Sr2 64.35(9) . . ? O13 B10 Sr2 69.50(9) . . ? O1 B10 Sr2 70.81(9) 2_676 . ? O5 B11 O21 112.17(16) . . ? O5 B11 O11 111.18(13) . . ? O21 B11 O11 109.66(16) . . ? O5 B11 O18 110.40(17) . . ? O21 B11 O18 107.54(13) . . ? O11 B11 O18 105.62(15) . . ? O5 B11 Sr1 175.85(13) . 2_665 ? O21 B11 Sr1 67.22(10) . 2_665 ? O11 B11 Sr1 65.78(9) . 2_665 ? O18 B11 Sr1 73.49(10) . 2_665 ? B1 O1 B10 128.74(16) . 2_676 ? B1 O1 Sr2 93.47(12) . . ? B10 O1 Sr2 133.01(9) 2_676 . ? B1 O1 Sr2 115.88(12) . 2_676 ? B10 O1 Sr2 79.60(10) 2_676 2_676 ? Sr2 O1 Sr2 101.69(5) . 2_676 ? B5 O2 B1 120.58(15) . . ? B5 O2 Sr2 135.38(13) . . ? B1 O2 Sr2 101.29(9) . . ? B1 O3 B8 120.78(16) 1_545 2_576 ? B1 O3 Sr2 138.89(12) 1_545 . ? B8 O3 Sr2 100.09(11) 2_576 . ? B2 O4 B9 121.46(15) . . ? B2 O5 B11 119.13(15) . . ? B3 O7 B10 118.80(15) 2_576 . ? B3 O8 B8 122.34(16) . 2_576 ? B4 O10 B9 121.42(16) . 1_465 ? B4 O10 Sr1 103.14(12) . 1_565 ? B9 O10 Sr1 132.26(11) 1_465 1_565 ? B4 O11 B11 125.66(16) . . ? B4 O11 Sr1 117.14(12) . 2_665 ? B11 O11 Sr1 85.29(9) . 2_665 ? B4 O11 Sr1 87.92(10) . 1_565 ? B11 O11 Sr1 130.40(12) . 1_565 ? Sr1 O11 Sr1 112.85(5) 2_665 1_565 ? B4 O12 B7 120.79(14) . . ? B4 O12 Sr1 136.83(10) . . ? B7 O12 Sr1 101.27(12) . . ? B5 O13 B10 127.87(13) 2_576 . ? B5 O13 Sr2 114.92(12) 2_576 . ? B10 O13 Sr2 81.04(10) . . ? B5 O13 Sr2 89.28(9) 2_576 2_666 ? B10 O13 Sr2 134.61(10) . 2_666 ? Sr2 O13 Sr2 108.48(4) . 2_666 ? B5 O14 B8 119.65(13) 1_645 2_676 ? B5 O14 Sr2 102.61(11) 1_645 . ? B8 O14 Sr2 133.32(9) 2_676 . ? B6 OH15 Sr1 99.65(13) 1_565 1_565 ? B6 OH17 Sr1 100.15(13) . . ? B7 O18 B11 129.08(13) 1_655 . ? B7 O18 Sr1 93.17(10) 1_655 1_655 ? B11 O18 Sr1 131.90(10) . 1_655 ? B7 O18 Sr1 115.53(12) 1_655 2_665 ? B11 O18 Sr1 77.78(10) . 2_665 ? Sr1 O18 Sr1 106.56(4) 1_655 2_665 ? B7 O19 B9 121.92(15) 1_645 . ? B7 O19 Sr1 138.45(14) 1_645 . ? B9 O19 Sr1 99.50(8) . . ? B8 O20 B10 116.25(15) . . ? B8 O20 Sr2 131.27(12) . . ? B10 O20 Sr2 86.30(9) . . ? B8 O20 Sr2 93.86(9) . 2_576 ? B10 O20 Sr2 128.81(12) . 2_576 ? Sr2 O20 Sr2 104.48(5) . 2_576 ? B9 O21 B11 117.57(15) . . ? B9 O21 Sr1 92.82(11) . . ? B11 O21 Sr1 126.80(10) . . ? B9 O21 Sr1 133.39(10) . 2_665 ? B11 O21 Sr1 84.39(10) . 2_665 ? Sr1 O21 Sr1 106.10(5) . 2_665 ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 30.15 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 1.560 _refine_diff_density_min -1.246 _refine_diff_density_rms 0.176