Information card for entry 4083137

Structure parameters

• Formula: C12 H27 Al Li N
• Calculated formula: C12 H27 Al Li N
• Title of publication: Neutron Diffraction Characterization of C‒H···Li Interactions in a Lithium Aluminate Polymer
• Authors of publication: Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3919
• a: 10.033 ± 0.002 Å
• b: 16.454 ± 0.003 Å
• c: 9.866 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1628.7 ± 0.6 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 2.944
• Diffraction radiation wavelength: 1.3213 Å
• Diffraction radiation type: neutrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No