Information card for entry 7010094

Structure parameters

• Formula: C35 H54 Al2 Li2 N2 O5
• Calculated formula: C35 H54 Al2 Li2 N2 O5
• Title of publication: Selective oxygen capture by lithium aluminates: a solid state and theoretical structural study †
• Authors of publication: Armstrong, David R.; Davies, Robert P.; Linton, David J.; Schooler, Paul; Shields, Gregory P.; Snaith, Ronald; Wheatley, Andrew E. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4304
• a: 12.333 ± 0.003 Å
• b: 13.439 ± 0.003 Å
• c: 14.021 ± 0.004 Å
• α: 109.87 ± 0.01°
• β: 91.58 ± 0.02°
• γ: 114.21 ± 0.01°
• Cell volume: 1955.2 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No