Information card for entry 4313624

Structure parameters

• Formula: C6 Mo7 N4 O33.5 Os S3
• Calculated formula: C6 Mo7 N4 O33.5 Os S3
• SMILES: [Os]12(O[Mo]34([O]5[Mo]678([O]9[Mo]%10(=O)(=O)([O]%11[Mo]%12([O]6%13%14[Mo]%119(O[Mo]%14(O[Mo]5%13([O]3%12)(=O)=O)(=O)(O8)=O)(=O)=O)(=O)(O1)[O]47%10)O2)=O)(=O)=O)([S](=O)(C)C)([S](=O)(C)C)[S](=O)(C)C.[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: 36.387 ± 0.007 Å
• b: 12.248 ± 0.002 Å
• c: 22.342 ± 0.005 Å
• α: 90°
• β: 124.23 ± 0.03°
• γ: 90°
• Cell volume: 8232 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No