Information card for entry 4341629

Structure parameters

• Formula: C8 H99.6 Co2.4 N4 Na12 O120 Sb2 W19.6
• Calculated formula: C8 H6 Co2.364 N4 Na12 O119.96 Sb2 W19.636
• SMILES: [W]12345=[O][Co]67([O]=[W]89%10(O[W]%11%12(O[W]%13%14%15(O[W]%16(O1)(=O)(=O)O[W]1%17%18(O[W]%19%20%21(O[W]%22%23%24(O[W]%25%26(O[W]%27(O[W]%28%29(O8)(O[W]8%30(O9)(O[W]9(O%11)(O%13)([O]%12%14[Sb]([O]%10%28%30)[O]%10%11[W]%12(=O)(O9)(O%15)O[W]%10(O8)(O%29)(=O)O[W]%11(O%12)(=[O][Co]8([O]=%20)([O]=%24)(OC(=O)c9[n]8c[nH]c9)[OH2])(O%27)O%16)=O)=O)=O)(O2)(=O)=O)(O[W]28(O%22)(O[W]9(O1)(O%19)(O[W]1([O]3([W](=O)(O8)(O%26)(O1)O5)[Sb]([O]%23%252)[O]%17%219)(O%18)(=O)O4)=O)=O)=O)=O)=O)=O)=O)(=[O]6)=O)=O)(OC(=O)c1[n]7c[nH]c1)[OH2].[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.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: 13.6242 ± 0.0007 Å
• b: 14.7481 ± 0.0006 Å
• c: 15.662 ± 0.0009 Å
• α: 68.763 ± 0.005°
• β: 71.84 ± 0.005°
• γ: 87.406 ± 0.004°
• Cell volume: 2779 ± 0.3 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: 0.0706
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No