Information card for entry 2018710

Structure parameters

• Chemical name: Dipotassium dihydrogen hypodiphosphate monohydrate
• Formula: H4 K2 O7 P2
• Calculated formula: H4 K2 O7 P2
• SMILES: [K+].[K+].P(=O)(P(=O)([O-])O)([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: 10.021 ± 0.003 Å
• b: 7.645 ± 0.002 Å
• c: 10.229 ± 0.003 Å
• α: 90°
• β: 92.18 ± 0.04°
• γ: 90°
• Cell volume: 783.1 ± 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: 0.0224
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes