Information card for entry 7049148

Structure parameters

• Formula: C44.5 H72 Al B N4
• Calculated formula: C44.5 H72 Al B N4
• 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: 19.0779 ± 0.0005 Å
• b: 11.5597 ± 0.0003 Å
• c: 39.5676 ± 0.0009 Å
• α: 90°
• β: 100.891 ± 0.003°
• γ: 90°
• Cell volume: 8568.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No