Information card for entry 2238943

Structure parameters

• Chemical name: Hexaaquanickel(II) dihydrogen hypodiphosphate
• Formula: H14 Ni O12 P2
• Calculated formula: H14 Ni O12 P2
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P(=O)(P(=O)([O-])O)([O-])O
• Title of publication: Hexaaquanickel(II) dihydrogen hypodiphosphate
• Authors of publication: Gjikaj, Mimoza; Wu, Peng; Pook, Niels-Patrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: i83
• a: 9.3031 ± 0.0014 Å
• b: 5.8892 ± 0.0008 Å
• c: 9.762 ± 0.0012 Å
• α: 90°
• β: 96.111 ± 0.011°
• γ: 90°
• Cell volume: 531.8 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No