Information card for entry 4323891

Structure parameters

• Formula: C48 H60 B18 Mo2 O5 P2
• Calculated formula: C48 H60 B18 Mo2 O5 P2
• SMILES: [BH]1234[BH]567[BH]893[BH]3%102[CH]21%11[BH]1%123[BH]3%13%14[BH]6([Mo]45%116(=O)(=O)O[Mo]45%11%15([BH]%16%17%18[BH]%19%20%21[BH]%22%23%24[CH]%18%20%11[CH]%11%22%15[BH]%15%184[BH]45%16[BH]5%17%19[BH]%16%21%23[BH]%24%11%15[BH]%16%1845)(=O)=O)([BH]783[BH]9%10%12%13)[CH]216%14.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• 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: 10.059 ± 0.002 Å
• b: 10.701 ± 0.002 Å
• c: 13.3998 ± 0.0014 Å
• α: 103.88 ± 0.01°
• β: 96.61 ± 0.02°
• γ: 100.84 ± 0.02°
• Cell volume: 1355.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.0662
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No