Information card for entry 7029532

Structure parameters

• Common name: SVMo final
• Formula: C96 H216 Mo22 N6 O81.5 S2 V2
• Calculated formula: C96 H216 Mo22 N6 O81.5 S2 V2
• Title of publication: Structurally characterised vanadium(v)-substituted Keggin-type heteropolysulfates [SVM11O40](3-) (M = Mo, W): voltammetric and spectroscopic studies related to the V(v)/V(iv) redox couple.
• Authors of publication: Ueda, Tadaharu; Nambu, Jun-Ichi; Lu, Jinzhen; Guo, Si-Xuan; Li, Qi; Boas, John F.; Martin, Lisandra L.; Bond, Alan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5462 - 5473
• a: 49.3884 ± 0.0012 Å
• b: 14.0771 ± 0.0004 Å
• c: 26.1812 ± 0.0007 Å
• α: 90°
• β: 114.793 ± 0.003°
• γ: 90°
• Cell volume: 16524.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No