Information card for entry 7049144

Structure parameters

• Formula: C39 H62 Al B N2
• Calculated formula: C39 H62 Al B N2
• Title of publication: Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}₂: structural, thermodynamic and reactivity studies.
• Authors of publication: Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 10845 - 10852
• a: 10.7529 ± 0.0001 Å
• b: 12.9488 ± 0.0001 Å
• c: 26.8741 ± 0.0002 Å
• α: 90°
• β: 94.3816 ± 0.0007°
• γ: 90°
• Cell volume: 3730.94 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9772
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No