Information card for entry 2205614

Structure parameters

• Chemical name: Diammonium nickel(II) dihydrogendiphosphate(V) dihydrate
• Formula: H16 N2 Ni O16 P4
• Calculated formula: H16 N2 Ni O16 P4
• SMILES: [Ni]12(OP(=O)(O)OP(=O)(O1)O)(OP(=O)(O)OP(=O)(O2)O)([OH2])[OH2].[NH4+].[NH4+]
• Title of publication: (NH~4~)~2~[Ni(H~2~P~2~O~7~)~2~(H~2~O)~2~]
• Authors of publication: Essehli, Rachid; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut; El Bali, Brahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: i64 - i66
• a: 7.0344 ± 0.0009 Å
• b: 7.3214 ± 0.0009 Å
• c: 7.792 ± 0.001 Å
• α: 81.53 ± 0.01°
• β: 70.91 ± 0.01°
• γ: 88.21 ± 0.01°
• Cell volume: 375.03 ± 0.09 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes