Information card for entry 7010095

Structure parameters

• Common name: rs9944
• Formula: C38 H50 Al2 Li2 N2 O2
• Calculated formula: C38 H50 Al2 Li2 N2 O2
• 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: 33.134 ± 0.0016 Å
• b: 33.134 ± 0.0016 Å
• c: 14.415 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15825.7 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No