Information card for entry 7214020

Structure parameters

• Formula: C8 H16 Li4 O13
• Calculated formula: C8 H16 Li4 O13
• SMILES: C(=O)(C[C@@H](C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-])[O-].[Li+].O.O.O.[Li+].O.O.[Li+].[Li+]
• Title of publication: Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1724
• a: 21.6635 ± 0.0016 Å
• b: 8.1817 ± 0.0004 Å
• c: 8.1299 ± 0.0006 Å
• α: 90°
• β: 98.514 ± 0.004°
• γ: 90°
• Cell volume: 1425.1 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No