Information card for entry 4323890

Structure parameters

• Formula: C10 H35 B9 Mo N2 O3
• Calculated formula: C10 H24 B9 Mo N2 O3
• SMILES: [Mo]12(=O)(=O)(=O)[BH]345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%158%11[CH]%12([CH]37%15)[BH]23%13[BH]2%10%14[BH]569[BH]1243.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes
• Authors of publication: Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5112 - 5113
• a: 20.104 ± 0.002 Å
• b: 7.0278 ± 0.0005 Å
• c: 30.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4330.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for significantly intense reflections: 0.1858
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.427
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No