Information card for entry 4313625

Structure parameters

• Formula: C6 H18 Mo7 N4 O33.5 Ru S3
• Calculated formula: C6 H18 Mo7 N4 O33.5 Ru S3
• SMILES: [Ru]12([S](C)(=O)C)([S](=O)(C)C)([S](=O)(C)C)O[Mo]34([O]56[Mo]789([O]3[Mo]3%10([O]4[Mo]46([O]369[Mo]3(O[Mo]6(O7)(O%10)(=O)=O)(=O)(=O)[O]4[Mo]5(O2)(=O)(=O)[O]38)(=O)O1)(=O)=O)=O)(=O)=O.[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.O
• Title of publication: Preparation and Characterization of New Ruthenium and Osmium Containing Polyoxometalates, [M(DMSO)3Mo7O24]4- (M = Ru(II), Os(II)), and Their Use as Catalysts for the Aerobic Oxidation of Alcohols
• Authors of publication: Alexander M. Khenkin; Linda J. W. Shimon; Ronny Neumann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3331 - 3339
• a: 36.31 ± 0.007 Å
• b: 12.239 ± 0.002 Å
• c: 22.379 ± 0.005 Å
• α: 90°
• β: 124.23 ± 0.03°
• γ: 90°
• Cell volume: 8223 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No