Information card for entry 4083946

Structure parameters

• Formula: C24 H84 B40 Si5
• Calculated formula: C24 H84 B40 Si5
• SMILES: [Si](CC[Si]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[CH]347[BH]475[BH]568[BH]691[BH]1%102[BH]%1134[BH]7561)(C)C)(CC[Si]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[CH]347[BH]475[BH]568[BH]691[BH]1%102[BH]%1134[BH]7561)(C)C)(CC[Si]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[CH]347[BH]475[BH]568[BH]691[BH]1%102[BH]%1134[BH]7561)(C)C)CC[Si]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[CH]347[BH]475[BH]568[BH]691[BH]1%102[BH]%1134[BH]7561)(C)C
• Title of publication: Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds
• Authors of publication: Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6351
• a: 20.7053 ± 0.0004 Å
• b: 20.7053 ± 0.0004 Å
• c: 13.531 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5800.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No