Information card for entry 1575556

Structure parameters

• Formula: C59 H81.5 Al B N6 O0.75
• Calculated formula: C56 H74 Al B N6
• Title of publication: Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.
• Authors of publication: Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17193 - 17199
• a: 11.7887 ± 0.0005 Å
• b: 12.6943 ± 0.0006 Å
• c: 19.3282 ± 0.0011 Å
• α: 94.912 ± 0.004°
• β: 91.626 ± 0.004°
• γ: 103.385 ± 0.004°
• Cell volume: 2800.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No