Information card for entry 7022534

Structure parameters

• Formula: C7 H21 Al N2
• Calculated formula: C7 H21 Al N2
• 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: 12.1703 ± 0.0016 Å
• b: 12.4077 ± 0.0016 Å
• c: 14.2504 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.9 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No