#------------------------------------------------------------------------------ #$Date: 2008-03-30 11:21:05 +0100 (Sun, 30 Mar 2008) $ #$Revision: 321 $ #$URL: svn://www.crystallography.net/cod/cif/2/2203371.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_2203371 loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' 'Park, Ki-Min' _publ_section_title ; Diprotonated hexatungstoplatinate(IV), Na~6~[H~2~PtW~6~O~24~].22H~2~O ; _journal_issue 4 _journal_name_full 'Acta Crystallographica, Section E' _journal_page_first i55 _journal_page_last i57 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac 'Na6 [H2 Pt W6 O24], 22H2 O' _chemical_formula_moiety 'H2 O24 Pt W6 6-, 22H2 O, 6Na 1+' _chemical_formula_structural 'Na6 [H2 Pt W6 O24], 22H2 O' _chemical_formula_sum 'H46 Na6 O46 Pt W6' _chemical_formula_weight 2218.50 _chemical_name_systematic ; ; _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 113.130(10) _cell_angle_beta 107.170(10) _cell_angle_gamma 99.480(10) _cell_formula_units_Z 1 _cell_length_a 10.0280(10) _cell_length_b 10.5910(10) _cell_length_c 12.109(3) _cell_measurement_reflns_used 27 _cell_measurement_temperature 298(2) _cell_measurement_theta_max 10.5 _cell_measurement_theta_min 9.6 _cell_volume 1070.8(3) _computing_cell_refinement 'STADI4 (Stoe & Cie, 1996)' _computing_data_collection 'STADI4 (Stoe & Cie, 1996)' _computing_data_reduction 'X-RED (Stoe & Cie, 1996)' _computing_molecular_graphics 'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)' _computing_publication_material 'SHELXL97-2 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL97-2 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990)' _diffrn_ambient_temperature 298(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Stoe Stadi-4' _diffrn_measurement_method '\w/2-\q scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71069 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0234 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 4896 _diffrn_reflns_theta_full 27.49 _diffrn_reflns_theta_max 27.49 _diffrn_reflns_theta_min 1.99 _diffrn_standards_decay_% 3.7 _diffrn_standards_interval_time 60 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 19.483 _exptl_absorpt_correction_T_max 0.1556 _exptl_absorpt_correction_T_min 0.0505 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details '(X-SHAPE; Stoe & Cie, 1996)' _exptl_crystal_colour 'pale yellow' _exptl_crystal_density_diffrn 3.440 _exptl_crystal_density_method 'not measured' _exptl_crystal_description 'hexagonal prism' _exptl_crystal_F_000 1002 _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _refine_diff_density_max 2.618 _refine_diff_density_min -2.184 _refine_ls_extinction_coef 0.0073(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc2^\l3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL97 _refine_ls_goodness_of_fit_ref 1.113 _refine_ls_hydrogen_treatment noref _refine_ls_matrix_type full _refine_ls_number_parameters 275 _refine_ls_number_reflns 4896 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.113 _refine_ls_R_factor_all 0.0444 _refine_ls_R_factor_gt 0.0354 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s2^(Fo2^)+(0.0492P)2^+10.2521P] where P=(Fo2^+2Fc2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0886 _refine_ls_wR_factor_ref 0.0964 _reflns_number_gt 4223 _reflns_number_total 4896 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file br6139.cif loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source W W -0.8490 6.8722 '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' Pt Pt -1.7033 8.3905 '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' loop_ _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_refinement_flags _atom_site_occupancy _atom_site_type_symbol Pt 0.5000 0.5000 0.5000 0.01087(11) Uani d S 1 Pt W1 0.33879(4) 0.25398(4) 0.56051(3) 0.01577(11) Uani d . 1 W W2 0.18378(3) 0.24979(4) 0.27524(3) 0.01620(11) Uani d . 1 W W3 0.35661(3) 0.49681(4) 0.21816(3) 0.01555(11) Uani d . 1 W O1 0.5484(6) 0.3639(6) 0.5718(6) 0.0154(11) Uani d . 1 O O2 0.2980(6) 0.4155(6) 0.4870(6) 0.0145(11) Uani d . 1 O O3 0.4132(7) 0.3558(7) 0.3086(6) 0.0164(12) Uani d . 1 O O4 0.2786(7) 0.1568(7) 0.3713(6) 0.0207(13) Uani d . 1 O O5 0.1810(7) 0.4127(7) 0.2372(6) 0.0191(12) Uani d . 1 O O6 0.5666(7) 0.5787(7) 0.2672(6) 0.0192(12) Uani d . 1 O O7 0.4046(7) 0.1226(7) 0.5879(7) 0.0277(15) Uani d . 1 O O8 0.1655(7) 0.2209(8) 0.5668(7) 0.0254(14) Uani d . 1 O O9 0.0154(7) 0.2248(7) 0.2904(7) 0.0244(14) Uani d . 1 O O10 0.1492(7) 0.1124(7) 0.1216(6) 0.0286(15) Uani d . 1 O O11 0.3242(7) 0.3612(8) 0.0622(6) 0.0257(14) Uani d . 1 O O12 0.2935(7) 0.6262(8) 0.1880(7) 0.0268(14) Uani d . 1 O Na1 0.0692(4) 0.7606(5) 0.5278(4) 0.0343(9) Uani d . 1 Na Na2 0.1244(9) 0.7539(10) 0.2315(9) 0.0366(19) Uani d P 0.50 Na Na3 0.2998(5) 0.7366(5) 0.0474(4) 0.0365(10) Uani d . 1 Na Na4 0.5000 1.0000 0.0000 0.0337(13) Uani d S 1 Na O13 -0.0149(10) 0.5605(12) 0.3040(10) 0.069(3) Uani d . 1 O O14 0.1830(9) 0.6111(9) 0.6065(8) 0.0377(18) Uani d . 1 O O15 0.1706(9) 1.0201(10) 0.6822(9) 0.046(2) Uani d . 1 O O16 0.2762(11) 0.8203(10) 0.4749(12) 0.066(3) Uani d . 1 O O17 -0.0453(16) 0.8666(14) 0.1383(15) 0.092(4) Uani d . 1 O O18 0.0423(11) 0.6340(17) 0.0027(11) 0.086(4) Uani d . 1 O O19 0.3787(16) 0.9433(13) 0.2571(9) 0.083(4) Uani d . 1 O O20 0.2839(8) 0.5013(9) -0.1066(7) 0.0386(18) Uani d . 1 O O21 0.5540(8) 0.8287(9) 0.0809(8) 0.0374(18) Uani d . 1 O O22 0.2395(8) 0.8982(9) -0.0435(7) 0.0340(17) Uani d . 1 O O23 0.5561(9) 1.1732(9) 0.2230(8) 0.0386(19) Uani d . 1 O loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pt 0.0097(2) 0.0108(2) 0.0115(2) 0.00414(15) 0.00272(16) 0.00544(16) W1 0.01467(17) 0.01440(18) 0.01787(18) 0.00371(13) 0.00488(14) 0.00872(14) W2 0.01195(17) 0.01535(18) 0.01674(18) 0.00270(12) 0.00167(13) 0.00680(14) W3 0.01353(17) 0.01868(19) 0.01336(17) 0.00541(13) 0.00341(13) 0.00777(14) O1 0.015(3) 0.012(3) 0.019(3) 0.007(2) 0.005(2) 0.007(2) O2 0.013(3) 0.014(3) 0.020(3) 0.007(2) 0.007(2) 0.009(2) O3 0.018(3) 0.017(3) 0.013(3) 0.004(2) 0.003(2) 0.009(2) O4 0.023(3) 0.018(3) 0.024(3) 0.013(3) 0.008(3) 0.010(3) O5 0.017(3) 0.026(3) 0.022(3) 0.011(3) 0.010(3) 0.016(3) O6 0.015(3) 0.022(3) 0.020(3) 0.005(2) 0.007(2) 0.011(3) O7 0.025(3) 0.025(3) 0.037(4) 0.010(3) 0.008(3) 0.019(3) O8 0.014(3) 0.031(4) 0.032(4) 0.006(3) 0.006(3) 0.018(3) O9 0.013(3) 0.029(4) 0.033(4) 0.007(3) 0.007(3) 0.017(3) O10 0.029(4) 0.026(4) 0.021(3) 0.009(3) 0.006(3) 0.005(3) O11 0.024(3) 0.029(4) 0.020(3) 0.007(3) 0.008(3) 0.008(3) O12 0.025(3) 0.031(4) 0.031(4) 0.014(3) 0.013(3) 0.018(3) Na1 0.025(2) 0.034(2) 0.045(2) 0.0125(17) 0.0128(19) 0.0191(19) Na2 0.030(4) 0.049(5) 0.034(5) 0.020(4) 0.011(4) 0.021(4) Na3 0.034(2) 0.040(2) 0.037(2) 0.0095(19) 0.0115(19) 0.023(2) Na4 0.032(3) 0.026(3) 0.035(3) 0.007(2) 0.011(3) 0.009(2) O13 0.035(5) 0.063(7) 0.060(6) 0.032(5) -0.006(4) -0.005(5) O14 0.040(4) 0.036(4) 0.039(4) 0.022(4) 0.016(4) 0.016(4) O15 0.043(5) 0.046(5) 0.047(5) 0.002(4) 0.024(4) 0.021(4) O16 0.059(6) 0.033(5) 0.121(10) 0.015(4) 0.066(7) 0.027(5) O17 0.086(9) 0.071(9) 0.102(10) 0.018(7) 0.041(8) 0.023(7) O18 0.035(5) 0.163(13) 0.062(7) 0.012(7) 0.007(5) 0.070(8) O19 0.150(12) 0.085(8) 0.030(5) 0.096(9) 0.026(6) 0.026(5) O20 0.032(4) 0.056(5) 0.033(4) 0.017(4) 0.017(3) 0.022(4) O21 0.033(4) 0.035(4) 0.041(4) 0.019(3) 0.014(4) 0.011(3) O22 0.027(4) 0.040(4) 0.033(4) 0.015(3) 0.012(3) 0.014(3) O23 0.047(5) 0.036(4) 0.034(4) 0.027(4) 0.019(4) 0.011(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pt W1 . 3.2789(5) ? Pt W2 . 3.3099(8) ? Pt W3 . 3.2730(9) ? W1 W2 . 3.3222(9) ? W1 W3 2_666 3.2300(9) ? W2 W3 . 3.3107(6) ? Pt O1 . 2.008(6) yes Pt O2 . 2.008(6) yes Pt O3 . 2.013(6) yes W1 O1 . 2.166(6) yes W1 O2 . 2.257(6) yes W1 O4 . 1.949(6) yes W1 O6 2_666 1.940(6) yes W1 O7 . 1.737(7) yes W1 O8 . 1.745(6) yes W2 O2 . 2.244(6) yes W2 O3 . 2.227(6) yes W2 O4 . 1.945(6) yes W2 O5 . 1.955(6) yes W2 O9 . 1.740(6) yes W2 O10 . 1.739(6) yes W3 O1 2_666 2.170(6) yes W3 O3 . 2.224(6) yes W3 O5 . 1.958(6) yes W3 O6 . 1.948(6) yes W3 O11 . 1.757(6) yes W3 O12 . 1.718(7) yes Na1 Na2 . 3.760(10) yes Na2 Na3 . 3.190(10) yes Na3 Na4 . 3.498(4) yes Na1 O8 2_566 2.372(8) yes Na1 O9 2_566 2.544(8) yes Na1 O13 . 2.470(10) yes Na1 O14 . 2.420(9) yes Na1 O15 . 2.450(10) yes Na1 O16 . 2.406(9) yes Na2 O12 . 2.388(11) yes Na2 O13 . 2.85(2) yes Na2 O16 . 2.62(2) yes Na2 O17 . 2.49(2) yes Na2 O18 . 2.35(2) yes Na2 O19 . 2.83(2) yes Na3 O12 . 2.424(8) yes Na3 O18 . 2.440(10) yes Na3 O19 . 2.400(10) yes Na3 O20 . 2.399(9) yes Na3 O21 . 2.423(9) yes Na3 O22 . 2.435(9) yes Na4 O21 . 2.439(8) yes Na4 O22 . 2.465(7) yes Na4 O23 . 2.418(8) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag W1 Pt W3 . . 120.926(16) ? W2 Pt W3 . . 60.384(15) ? W1 Pt W2 . . 60.558(17) ? W3 W1 Pt 2_666 . 60.372(17) ? W3 W1 W2 2_666 . 120.538(17) ? W1 W3 Pt 2_666 . 60.554(15) ? Pt W1 W2 . . 60.182(16) ? Pt W2 W3 . . 59.256(17) ? O2 Pt O2 . 2_666 180.0000(10) ? O2 Pt O1 . . 82.6(2) ? O2 Pt O1 2_666 . 97.4(2) ? O1 Pt O1 . 2_666 180.0000(10) ? O2 Pt O3 . 2_666 97.4(2) ? O2 Pt O3 2_666 2_666 82.6(2) ? O1 Pt O3 . 2_666 82.1(2) ? O1 Pt O3 2_666 2_666 97.9(2) ? O2 Pt O3 . . 82.6(2) ? O2 Pt O3 2_666 . 97.4(2) ? O1 Pt O3 . . 97.9(2) ? O1 Pt O3 2_666 . 82.1(2) ? O3 Pt O3 2_666 . 180.0000(10) ? O7 W1 O8 . . 104.4(3) ? O7 W1 O6 . 2_666 102.2(3) ? O8 W1 O6 . 2_666 94.5(3) ? O7 W1 O4 . . 96.2(3) ? O8 W1 O4 . . 99.1(3) ? O6 W1 O4 2_666 . 153.6(3) ? O7 W1 O1 . . 92.2(3) ? O8 W1 O1 . . 161.7(3) ? O6 W1 O1 2_666 . 73.9(2) ? O4 W1 O1 . . 86.7(3) ? O7 W1 O2 . . 161.6(3) ? O8 W1 O2 . . 91.6(3) ? O6 W1 O2 2_666 . 85.3(2) ? O4 W1 O2 . . 71.9(2) ? O1 W1 O2 . . 73.6(2) ? O10 W2 O9 . . 105.1(3) ? O10 W2 O4 . . 95.1(3) ? O9 W2 O4 . . 101.0(3) ? O10 W2 O5 . . 100.5(3) ? O9 W2 O5 . . 97.0(3) ? O4 W2 O5 . . 152.2(3) ? O10 W2 O3 . . 93.1(3) ? O9 W2 O3 . . 160.6(3) ? O4 W2 O3 . . 83.5(2) ? O5 W2 O3 . . 72.9(2) ? O10 W2 O2 . . 161.8(3) ? O9 W2 O2 . . 90.5(3) ? O4 W2 O2 . . 72.2(2) ? O5 W2 O2 . . 86.7(2) ? O3 W2 O2 . . 72.8(2) ? O12 W3 O11 . . 103.9(3) ? O12 W3 O6 . . 100.4(3) ? O11 W3 O6 . . 95.0(3) ? O12 W3 O5 . . 94.8(3) ? O11 W3 O5 . . 99.0(3) ? O6 W3 O5 . . 156.2(3) ? O12 W3 O1 . 2_666 92.3(3) ? O11 W3 O1 . 2_666 161.8(3) ? O6 W3 O1 . 2_666 73.6(2) ? O5 W3 O1 . 2_666 87.6(2) ? O12 W3 O3 . . 161.6(3) ? O11 W3 O3 . . 91.8(3) ? O6 W3 O3 . . 87.6(2) ? O5 W3 O3 . . 72.9(2) ? O1 W3 O3 2_666 . 73.8(2) ? O12 W3 W2 . . 127.0(2) ? O11 W3 W2 . . 89.9(2) ? O6 W3 W2 . . 129.52(18) ? O5 W3 W2 . . 32.18(18) ? O1 W3 W2 2_666 . 86.81(16) ? O3 W3 W2 . . 41.99(15) ? W1 W3 W2 2_666 . 120.898(19) ? Pt W3 W2 . . 60.360(16) ? W1 O1 W3 . 2_666 96.3(2) yes W2 O2 W1 . . 95.1(2) yes W3 O3 W2 . . 96.1(2) yes W2 O4 W1 . . 117.1(3) yes W2 O5 W3 . . 115.6(3) yes W1 O6 W3 2_666 . 112.3(3) yes Pt O1 W1 . . 103.5(2) ? Pt O1 W3 . 2_666 103.0(2) ? Pt O2 W2 . . 102.1(2) ? Pt O2 W1 . . 100.3(2) ? Pt O2 O14 . . 114.5(3) ? Pt O3 W3 . . 101.0(3) ? Pt O3 W2 . . 102.5(2) ? O8 Na1 O16 2_566 . 124.9(4) ? O8 Na1 O14 2_566 . 141.2(3) ? O16 Na1 O14 . . 88.3(4) ? O8 Na1 O15 2_566 . 92.3(3) ? O16 Na1 O15 . . 81.4(3) ? O14 Na1 O15 . . 114.3(3) ? O8 Na1 O13 2_566 . 80.5(3) ? O16 Na1 O13 . . 79.3(4) ? O14 Na1 O13 . . 87.6(3) ? O15 Na1 O13 . . 150.2(4) ? O8 Na1 O9 2_566 2_566 83.0(2) ? O16 Na1 O9 . 2_566 145.7(4) ? O14 Na1 O9 . 2_566 76.4(3) ? O15 Na1 O9 . 2_566 77.5(3) ? O13 Na1 O9 . 2_566 129.4(4) ? O18 Na2 O12 . . 74.8(4) ? O18 Na2 O17 . . 71.1(5) ? O12 Na2 O17 . . 141.8(5) ? O18 Na2 O16 . . 157.9(6) ? O12 Na2 O16 . . 83.6(4) ? O17 Na2 O16 . . 130.8(5) ? O18 Na2 O19 . . 91.7(4) ? O12 Na2 O19 . . 70.3(3) ? O17 Na2 O19 . . 94.0(5) ? O16 Na2 O19 . . 85.0(4) ? O18 Na2 O13 . . 107.2(5) ? O12 Na2 O13 . . 93.5(4) ? O17 Na2 O13 . . 112.4(5) ? O16 Na2 O13 . . 69.2(3) ? O19 Na2 O13 . . 151.2(4) ? O19 Na3 O20 . . 156.9(4) ? O19 Na3 O21 . . 82.0(4) ? O20 Na3 O21 . . 89.9(3) ? O19 Na3 O12 . . 77.7(4) ? O20 Na3 O12 . . 84.6(3) ? O21 Na3 O12 . . 108.4(3) ? O19 Na3 O18 . . 101.0(5) ? O20 Na3 O18 . . 87.4(4) ? O21 Na3 O18 . . 177.0(4) ? O12 Na3 O18 . . 72.5(3) ? O19 Na3 O22 . . 85.9(3) ? O20 Na3 O22 . . 115.6(3) ? O21 Na3 O22 . . 88.9(3) ? O12 Na3 O22 . . 153.9(3) ? O18 Na3 O22 . . 91.2(4) ? O23 Na4 O23 2_675 . 180.0(4) ? O23 Na4 O21 2_675 . 92.4(3) ? O23 Na4 O21 . . 87.6(3) ? O23 Na4 O21 2_675 2_675 87.6(3) ? O23 Na4 O21 . 2_675 92.4(3) ? O21 Na4 O21 . 2_675 180.0000(10) ? O23 Na4 O22 2_675 2_675 92.7(3) ? O23 Na4 O22 . 2_675 87.3(3) ? O21 Na4 O22 . 2_675 92.1(3) ? O21 Na4 O22 2_675 2_675 87.9(3) ? O23 Na4 O22 2_675 . 87.3(3) ? O23 Na4 O22 . . 92.7(3) ? O21 Na4 O22 . . 87.9(3) ? O21 Na4 O22 2_675 . 92.1(3) ? O22 Na4 O22 2_675 . 180.0 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DA _geom_hbond_publ_flag O13 O5 . 2.810(10) yes O13 O14 2_566 2.99(2) yes O13 O20 2_565 2.790(10) yes O14 O2 . 2.671(9) yes O14 O9 2_566 3.070(10) yes O14 O23 2_676 2.730(10) yes O15 O8 1_565 2.970(10) yes O15 O17 2_576 2.79(2) yes O15 O21 2_676 2.950(10) yes O16 O1 2_666 2.840(10) yes O16 O7 1_565 2.820(10) yes O17 O10 1_565 3.10(2) yes O17 O11 2_565 2.95(2) yes O17 O15 2_576 2.79(2) yes O17 O18 . 2.81(2) yes O18 O5 2_565 2.890(10) yes O18 O12 . 2.880(10) yes O18 O18 2_565 2.79(3) yes O19 O4 1_565 2.670(10) yes O19 O7 2_666 2.800(10) yes O19 O12 . 3.020(10) yes O19 O23 . 3.01(2) yes O20 O6 2_665 2.755(9) yes O20 O11 . 2.940(10) yes O20 O13 2_565 2.790(10) yes O21 O11 2_665 2.800(10) yes O21 O15 2_676 2.950(10) yes O22 O9 2_565 2.920(10) yes O22 O10 1_565 2.850(10) yes O23 O3 1_565 2.661(9) yes