Information card for entry 4341628

Structure parameters

• Formula: C8 H99.6 Mn2.4 N4 Na12 O120 Sb2 W19.6
• Calculated formula: C8 H6 Mn2.402 N4 Na12.018 O120.22 Sb2 W19.598
• SMILES: c1[n]2c(C(=O)O[Mn]342([OH2])[O]=[W]256([O]78[W]9%10(O[W]%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19%20(O[W]%21%22([O]%16%19[Sb]%16[O]%19%23[W]%24%25(O[W]%26(O[W]%27%28%29(O[W]%30(=[O]3)(=O)([O]3%28[W]%28(O[W]%31%32(O[W]%33(O[W]([O]%31%33[Sb]83)(O%32)(O9)(O[W]7(O%10)(O5)(O%28)=O)=O)(=[O][Mn]35([n]7c[nH]cc7C(=O)O3)([OH2])[O]=[W]3%19(O%24)(O[W]%23(O%22)(O%25)(O[W]7(O%18)([O]%13%16[W](O3)(O%14)(O7)(=[O]5)=O)(O%15)=O)=O)=O)(O%26)O%12)(O%27)=O)(O%30)(O%29)=O)O6)=O)(=O)(=O)O%20)(O%21)=O)(O%17)=O)(=[O]4)O%11)=O)=O)(=O)=O)(O2)=O)=O)c[nH]1.[Na+].O.O.O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O
• Title of publication: Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.
• Authors of publication: Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 241 - 252
• a: 13.8331 ± 0.0004 Å
• b: 14.6798 ± 0.0003 Å
• c: 15.7557 ± 0.0005 Å
• α: 69.16 ± 0.003°
• β: 71.318 ± 0.003°
• γ: 87.719 ± 0.002°
• Cell volume: 2822.65 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No