Information card for entry 7010096

Structure parameters

• Formula: C52 H66 Al2 Li2 N2 O4
• Calculated formula: C52 H66 Al2 Li2 N2 O4
• 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: 9.787 ± 0.005 Å
• b: 11.779 ± 0.005 Å
• c: 14.112 ± 0.003 Å
• α: 108.2 ± 0.03°
• β: 101.91 ± 0.03°
• γ: 108.08 ± 0.03°
• Cell volume: 1383.8 ± 1.1 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: 0.194
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections: 0.3447
• Weighted residual factors for significantly intense reflections: 0.2837
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.267
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No