Information card for entry 2206312

Structure parameters

• Common name: Ammonium magnesium phosphite 18-hydrate
• Chemical name: Diammonium trimagnesium tetrakis[hydrogenphosphate(III)] octadecahydrate
• Formula: H48 Mg3 N2 O30 P4
• Calculated formula: H48 Mg3 N2 O30 P4
• SMILES: P(=O)([O-])[O-].P(=O)([O-])[O-].P(=O)([O-])[O-].P(=O)([O-])[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].[NH4+]
• Title of publication: Diammonium tris[hexaaquamagnesium(II)] tetrakis[hydrogenphosphate(III)], (NH~4~)~2~[Mg(H~2~O)~6~]~3~(HPO~3~)~4~
• Authors of publication: Messouri, Ibtissam; El Bali, Brahim; Capitelli, Francesco; Piniella, Juan F.; Lachkar, Mohammed; Slimani, Zineb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: i129 - i131
• a: 34.33 ± 0.003 Å
• b: 7.038 ± 0.0003 Å
• c: 6.1666 ± 0.0003 Å
• α: 90°
• β: 91.377 ± 0.006°
• γ: 90°
• Cell volume: 1489.51 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes