Information card for entry 7022531

Structure parameters

• Formula: C4 H11 Al O2
• Calculated formula: C4 H11 Al O2
• Title of publication: Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.
• Authors of publication: Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6953 - 6964
• a: 6.318 ± 0.003 Å
• b: 8.57 ± 0.004 Å
• c: 6.811 ± 0.004 Å
• α: 90°
• β: 115.45 ± 0.006°
• γ: 90°
• Cell volume: 333 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No