Information card for entry 7214022

Structure parameters

• Formula: C8 H14 K2 O12
• Calculated formula: C8 H14 K2 O12
• SMILES: [K+].C(=O)(O)[C@H]1[C@H]([C@H](C(=O)O)[C@@H]1C(=O)[O-])C(=O)[O-].O.O.[K+].O.O
• 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: 8.4001 ± 0.0007 Å
• b: 13.7383 ± 0.0011 Å
• c: 6.4302 ± 0.0004 Å
• α: 90°
• β: 104.284 ± 0.005°
• γ: 90°
• Cell volume: 719.12 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No