Information card for entry 4001509

Structure parameters

• Formula: C7 H36 B20
• Calculated formula: C7 H36 B20
• SMILES: C1[C@@H]2C[C@@H]([C@H]1C[C@@H]2[B]1234[H][BH]564[BH]472[BH]23([H]1)[BH]137[BH]754[BH]451[BH]123[BH]25([BH]746[H]2)[H]1)[B]1234[H][BH]564[BH]472[BH]23([H]1)[BH]137[BH]754[BH]451[BH]123[BH]25([BH]746[H]2)[H]1.C1[C@H]2C[C@H]([C@@H]1C[C@H]2[B]1234[H][BH]564[BH]472[BH]23([H]1)[BH]137[BH]754[BH]451[BH]123[BH]25([BH]746[H]2)[H]1)[B]1234[H][BH]564[BH]472[BH]23([H]1)[BH]137[BH]754[BH]451[BH]123[BH]25([BH]746[H]2)[H]1
• Title of publication: Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors
• Authors of publication: Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 1113
• a: 12.1819 ± 0.0002 Å
• b: 15.947 ± 0.0003 Å
• c: 11.0751 ± 0.0002 Å
• α: 90°
• β: 90.056 ± 0.001°
• γ: 90°
• Cell volume: 2151.5 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.1393
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No