Information card for entry 2203123

Structure parameters

• Chemical name: Dipotasium nickel bis(dihydrogendiphosphate) dihydrate
• Formula: H8 K2 Ni O16 P4
• Calculated formula: H8 K2 Ni O16 P4
• SMILES: [Ni]12(OP(=O)(OP(=O)(O1)O)O)([OH2])(OP(=O)(OP(=O)(O2)O)O)[OH2].[K+].[K+]
• Title of publication: Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate, K~2~Ni(H~2~P~2~O~7~)~2~.2H~2~O
• Authors of publication: Alaoui Tahiri, Aziz; Messouri, Ibtissam; Lachkar, Mohammed; Zavalij, Peter Y.; Glaum, Robert; El Bali, Brahim; Ouarsal Rachid
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: i3 - i5
• a: 6.8554 ± 0.0008 Å
• b: 7.3124 ± 0.0009 Å
• c: 7.561 ± 0.0009 Å
• α: 81.012 ± 0.002°
• β: 72.301 ± 0.002°
• γ: 83.691 ± 0.002°
• Cell volume: 355.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No