Information card for entry 4335676

Structure parameters

• Formula: C12 H50 B20
• Calculated formula: C12 H50 B20
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[B]76([BH]35([BH]34%10[B]12(CC[B]1245[BH]68%10[BH]%12%13%14[BH]%15%16%17[BH]%186%12[BH]6%17([B]%12%16([BH]%13%15([BH]2%10%14[H]5)[H]%12)(CCCCC)[H]6)[BH]18%18[H]4)([H]%11)[H]3)[H]7)(CCCCC)[H]9
• Title of publication: Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes
• Authors of publication: Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9119 - 9130
• a: 16.787 ± 0.002 Å
• b: 5.7385 ± 0.0009 Å
• c: 15.027 ± 0.002 Å
• α: 90°
• β: 105.944 ± 0.008°
• γ: 90°
• Cell volume: 1391.9 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No