Information card for entry 4322041

Structure parameters

• Formula: C0 H72 Fe2 K6 Na O105 Sb2 W20
• Calculated formula: Fe2 K6 O102 Sb2 W20
• SMILES: O.[K+].O.[K+].O.[K+].O.O.O.O.O.O.[Fe]12([O]=[W]3456[O]78[W]9%10(O[W]%117(=O)(O[W]7%12%13([O]%14%15[Sb]8[O]8%16[W]%17(=O)(O9)(O7)O[W]78(O%10)(O[W]8%16(O%17)(O[W]9%14(O%12)(O[W]%15(O%13)(O%11)(=O)O[W]%10(O5)(O[W]5%11%12([O]%13%14[Sb]%15[O]%16%17[W]%18%19%20(=O)O[W]%21%13(O[W]%13%14(=O)(O[W]%14%22([O]%23%15[W](O%14)(O[W]%17(O%20)(O[W]%16(O%21)(O%19)(=O)O%10)(=O)=[O]1)(O[W]%23(O%22)(O%13)(=O)O[W](O6)(O7)(O%12)(=O)=O)(=O)=[O]2)(=O)O%18)O%11)(=O)O5)=[O][Fe]([O]=8)([O]=9)([OH2])([OH2])[OH2])(=O)=O)=O)=O)=O)=O)O4)(=O)O3)([OH2])([OH2])[OH2].O.O.O.O.O.[K+].O.[K+].O.[K+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Heteropolymetalate Clusters of the Subvalent Main Group Elements BiIII and SbIII
• Authors of publication: Ina Loose; Elisabeth Droste; Michael Bösing; Heinrich Pohlmann; Michael H. Dickman; Cristina Rosu; Michael T. Pope; Bernt Krebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2688 - 2694
• a: 17.995 ± 0.009 Å
• b: 11.976 ± 0.005 Å
• c: 22.08 ± 0.012 Å
• α: 90°
• β: 112.57 ± 0.03°
• γ: 90°
• Cell volume: 4394 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections: 0.2644
• Weighted residual factors for significantly intense reflections: 0.2521
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No