Information card for entry 1513066

Structure parameters

• Common name: potassium 5-sulfosalicylate salt II
• Formula: C11.2 H6.4 K2.4 N0 O10.4 S1.6
• Calculated formula: C11.2 H6.4 K2.4 O10.4 S1.6
• Title of publication: Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study
• Authors of publication: Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2012
• Journal volume: 65
• Pages of publication: 2055
• a: 18.814 ± 0.004 Å
• b: 5.4898 ± 0.001 Å
• c: 19.856 ± 0.004 Å
• α: 90°
• β: 103.984 ± 0.006°
• γ: 90°
• Cell volume: 1990 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.2812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.496
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No