Information card for entry 2104912

Structure parameters

• Chemical name: hexaaquanickel(II) nitrate (15-crown-5) monohydrate
• Formula: C10 H34 N2 Ni O18
• Calculated formula: C10 H34 N2 Ni O18
• Title of publication: Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
• Authors of publication: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: 130 - 143
• a: 16.182 ± 0.002 Å
• b: 16.518 ± 0.002 Å
• c: 17.876 ± 0.002 Å
• α: 90°
• β: 106.42 ± 0.01°
• γ: 90°
• Cell volume: 4583.3 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: B 1 21 1
• Hall space group symbol: P 2yb (1/2*x,y,-1/2*x+z)
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No