Information card for entry 2013395

Structure parameters

• Common name: KH~2~PO~4~.HF adduct (II)
• Chemical name: potassium dihydrogenphosphate - hydrofluoric acid adduct (II)
• Formula: F H3 K O4 P
• Calculated formula: F H3 K O4 P
• SMILES: [K+].P(=O)(O)(O)[O-].F
• Title of publication: Two modifications of a KH~2~PO~4~·HF adduct
• Authors of publication: Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: i79 - i82
• a: 6.448 ± 0.0002 Å
• b: 7.566 ± 0.0002 Å
• c: 9.476 ± 0.0003 Å
• α: 90°
• β: 101.237 ± 0.0018°
• γ: 90°
• Cell volume: 453.43 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes