Information card for entry 7115849

Structure parameters

• Common name: Lithium malate : fumarate
• Formula: C4 H2.44 Li2 O4.22
• Calculated formula: C4 H2.456 Li2 O4.228
• Title of publication: Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework
• Authors of publication: Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13292
• a: 11.76 ± 0.0006 Å
• b: 11.76 ± 0.0006 Å
• c: 11.0689 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1325.71 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No