Information card for entry 2235785

Structure parameters

• Chemical name: Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate
• Formula: H24 Li2 Na2 Ni O30 P6
• Calculated formula: H24 Li2 Na2 Ni O30 P6
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].P1(=O)([O-])OP(=O)([O-])OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-])[O-].[Li+].[Na+].[Na+].O.O.O.O.O.O.[Li+]
• Title of publication: Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li~2~Na~2~NiP~6~O~18~·12H~2~O
• Authors of publication: Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: i62 - i63
• a: 17.728 ± 0.009 Å
• b: 10.213 ± 0.002 Å
• c: 14.801 ± 0.007 Å
• α: 90°
• β: 112.04 ± 0.04°
• γ: 90°
• Cell volume: 2484 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes