Information card for entry 4510496

Structure parameters

• Formula: C8 H10 K2 O10
• Calculated formula: C8 H10 K2 O10
• SMILES: C([C@H]1[C@@H](C(=O)[O-])[C@H](C(=O)O)[C@@H]1C(=O)[O-])(=O)O.[K+].O.[K+].O
• Title of publication: Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers
• Authors of publication: Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2605
• a: 6.2679 ± 0.0005 Å
• b: 15.3935 ± 0.0011 Å
• c: 6.3897 ± 0.0005 Å
• α: 90°
• β: 105.5 ± 0.001°
• γ: 90°
• Cell volume: 594.09 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No