Information card for entry 2018709

Structure parameters

• Chemical name: Potassium trihydrogen hypodiphosphate
• Formula: H3 K O6 P2
• Calculated formula: H3 K O6 P2
• SMILES: [K+].P(=O)(O)(O)P(=O)([O-])O
• Title of publication: Potassium salts of hypodiphosphoric acid
• Authors of publication: Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: i71 - i82
• a: 7.02 ± 0.003 Å
• b: 11.043 ± 0.004 Å
• c: 7.803 ± 0.003 Å
• α: 90°
• β: 92.82 ± 0.04°
• γ: 90°
• Cell volume: 604.2 ± 0.4 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: 0.0265
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes