Information card for entry 2200088

Structure parameters

• Common name: Calcium hydrogenphosphite monohydrate
• Formula: Ca H6 O7 P2
• Calculated formula: Ca H6 O7 P2
• SMILES: [Ca+2].[O-]P(=O)O.P(=O)(O)[O-].O
• Title of publication: Layered calcium hydrogenphosphite monohydrate at 173K
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: i19 - i21
• a: 6.7777 ± 0.0002 Å
• b: 7.0282 ± 0.0001 Å
• c: 8.097 ± 0.0002 Å
• α: 67.906 ± 0.001°
• β: 84.812 ± 0.001°
• γ: 84.236 ± 0.001°
• Cell volume: 354.991 ± 0.015 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No