Information card for entry 7049147

Structure parameters

• Formula: C52 H73 Al B F3 N2 O3 S
• Calculated formula: C52 H73 Al B F3 N2 O3 S
• 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: 10.193 ± 0.002 Å
• b: 25.619 ± 0.005 Å
• c: 19.416 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5070.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No