Information card for entry 2104237

Structure parameters

• Common name: hexaaquanickel(II) nitrate (15-crown-5) trans-tetraaquadimethanolnickel(II) nitrate (15-crown-5)
• Formula: C22 H68 N4 Ni2 O34
• Calculated formula: C22 H68 N4 Ni2 O34
• 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: 16.241 ± 0.001 Å
• b: 15.481 ± 0.001 Å
• c: 10.429 ± 0.001 Å
• α: 90°
• β: 120.75 ± 0.01°
• γ: 90°
• Cell volume: 2253.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes