Information card for entry 4301503

Structure parameters

• Formula: C12 H53 K2 Mo12 O70 Ru3 Si
• Calculated formula: C12 H18 K2 Mo12 O70.5 Ru3 Si
• Title of publication: Large Cation-Anion Materials Based on Trinuclear Ruthenium(III) Salts of Keggin and Wells-Dawson Anions Having Water-Filled Channels
• Authors of publication: Masooma Ibrahim; Michael H. Dickman; Andreas Suchopar; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1649 - 1654
• a: 14.4232 ± 0.0009 Å
• b: 17.9103 ± 0.0007 Å
• c: 31.6511 ± 0.0018 Å
• α: 90°
• β: 99.99 ± 0.003°
• γ: 90°
• Cell volume: 8052.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No