Information card for entry 4322479

Structure parameters

• Formula: C12 H48 Mo12 N3 O43.5 Si
• Calculated formula: C12 H36 Mo12 N3 O43.5 Si
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10(=O)O[Mo]%11%12([O]%139[Mo]9(O8)(O[Mo]8%14(=O)(O[Mo]%15%16%17(O[Mo]%18%19%20(O[Mo]%21(O9)([O]%19([Mo](=O)(O%20)(O3)(O%21)O%12)[Si]3%13[O]17[Mo](O6)(=O)(O[Mo](O5)(=O)(O%15)(O8)[O]%14%173)(O%18)O2)(O%16)=O)=O)=O)O%10)(=O)O%11)(=O)O4)=O)=O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.O.O
• Title of publication: Hydrothermal Syntheses: A Route to the Stepwise Condensation of Reduced Keggin Polyanions. From Reduced β-[HmSiMo12O40]n- Monomers to Bicapped Dimerized [Si2Mo28O84(H2O)2]6- Anions
• Authors of publication: Anne Dolbecq; Emmanuel Cadot; Dirk Eisner; Francis Sécheresse
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4217 - 4223
• a: 12.7763 ± 0.0005 Å
• b: 20.2277 ± 0.0008 Å
• c: 20.9784 ± 0.0009 Å
• α: 90°
• β: 98.037 ± 0.001°
• γ: 90°
• Cell volume: 5368.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.1243
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No