Information card for entry 2104234

Structure parameters

• Common name: hexaquanickel(II) nitrate (15-crown-5) dihydrate
• Formula: C10 H36 N2 Ni O19
• Calculated formula: C10 H36 N2 Ni O19
• SMILES: C1COCCOCCOCCOCCO1.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
• Authors of publication: Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 725 - 737
• a: 11.95 ± 0.001 Å
• b: 12.686 ± 0.001 Å
• c: 15.988 ± 0.001 Å
• α: 90°
• β: 101.51 ± 0.01°
• γ: 90°
• Cell volume: 2375 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes