Information card for entry 4318103

Structure parameters

• Formula: C25 H40 B10 Mo O4 Rh2
• Calculated formula: C25 H40 B10 Mo O4 Rh2
• SMILES: [Mo]123456([Rh]789%10%11%12([Rh]%13%14%15%16([BH]%17%18%194[BH]4%2037[BH]372[CH]2%211[BH]15%17[BH]5%17%19[BH]%19%18%20[BH]%1847[BH]432[BH]%2115[BH]%17%19%184)(C8=O)[c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)(C6=O)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)(C#[O])C#[O]
• Title of publication: Unprecedented Cage-Carbon to Cage-Boron NMe3 Transfer in a Monocarbon Molybdenacarborane
• Authors of publication: Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3202 - 3211
• a: 20.368 ± 0.003 Å
• b: 15.829 ± 0.003 Å
• c: 21.202 ± 0.004 Å
• α: 90°
• β: 113.713 ± 0.003°
• γ: 90°
• Cell volume: 6258.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No