Information card for entry 2206579

Structure parameters

• Common name: Ammonium nickel phosphite 18-hydrate
• Chemical name: Diammonium tris[hexaaquanickel(II)] tetrakis[hydrogenphosphate(III)]
• Formula: H48 N2 Ni3 O30 P4
• Calculated formula: H48 N2 Ni3 O30 P4
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P(=O)([O-])[O-].P(=O)([O-])[O-].P(=O)([O-])[O-].P(=O)([O-])[O-].[NH4+].[NH4+]
• Title of publication: Diammonium tris[hexaaquanickel(II)] tetrakis[hydrogenphosphate(III)], (NH~4~)~2~[Ni(H~2~O)~6~]~3~(HPO~3~)~4~
• Authors of publication: Ouarsal, Rachid; El Bali, Brahim; Lachkar, Mohammed; Dusek, Michal; Fejfarova, Karla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: i171 - i173
• a: 34.1405 ± 0.0015 Å
• b: 7.0197 ± 0.0003 Å
• c: 6.155 ± 0.0003 Å
• α: 90°
• β: 91.371 ± 0.004°
• γ: 90°
• Cell volume: 1474.66 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 292 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: 0.0261
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes