Information card for entry 7022530

Structure parameters

• Formula: C6 H18 Al N
• Calculated formula: C6 H18 Al N
• 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: 12.186 ± 0.005 Å
• b: 11.131 ± 0.004 Å
• c: 6.739 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 914.1 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No