Information card for entry 7049149

Structure parameters

• Formula: C38 H60 Al B N2
• Calculated formula: C38 H60 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: 9.1574 ± 0.0018 Å
• b: 20.084 ± 0.004 Å
• c: 10.311 ± 0.002 Å
• α: 90°
• β: 109.98 ± 0.03°
• γ: 90°
• Cell volume: 1782.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No