Information card for entry 4001511

Structure parameters

• Formula: C6 H22 B10
• Calculated formula: C6 H22 B10
• SMILES: C1=CCC(CC1)[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: 10.969 ± 0.004 Å
• b: 21.912 ± 0.008 Å
• c: 10.902 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2620.3 ± 1.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.2905
• Weighted residual factors for all reflections included in the refinement: 0.3198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No