Information card for entry 2229216

Structure parameters

• Chemical name: Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate
• Formula: Ca H20 Na2 Ni2 O24 P4
• Calculated formula: Ca H20 Na2 Ni2 O24 P4
• SMILES: [Ni]1([OH2])OP2(=O)O[Ni]3([OH2])(OP(=O)(O1)O2)OP(=O)([O-])OP(=O)([O-])O3.[Ca+2].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate
• Authors of publication: Cui, Yun-Cheng; Zhao, Yan-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: i13 - i14
• a: 11.934 ± 0.0011 Å
• b: 32.774 ± 0.004 Å
• c: 10.986 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4296.9 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes