Information card for entry 2213397

Structure parameters

• Chemical name: Aqua(salicylidene-β-alaninato-κ^2^O,O')potassium(I)
• Formula: C10 H11 K N O4
• Calculated formula: C10 H11 K N O4
• SMILES: [K+].[O-]c1ccccc1/C=N/CCC(=O)[O-].O
• Title of publication: Aqua(salicylidene-β-alaninato-κ^2^<i>O</i>,<i>O</i>')potassium(I)
• Authors of publication: Xu-Sheng Gao; Yong-Min Wan; Qin Zhou; Yuan-Xiang Shi; Jin-Tang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1417 - m1418
• a: 17.792 ± 0.004 Å
• b: 7.992 ± 0.0016 Å
• c: 8.359 ± 0.0017 Å
• α: 90°
• β: 100.29 ± 0.03°
• γ: 90°
• Cell volume: 1169.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes