Information card for entry 2104244

Structure parameters

• Chemical name: diaqua(15-crown-5)nickel(II) nitrate
• Formula: C10 H24 N2 Ni O13
• Calculated formula: C10 H24 N2 Ni O13
• SMILES: [Ni]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
• Authors of publication: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 738 - 749
• a: 14.719 ± 0.002 Å
• b: 28.041 ± 0.003 Å
• c: 10.704 ± 0.002 Å
• α: 90.2 ± 0.01°
• β: 125.99 ± 0.02°
• γ: 89.87 ± 0.001°
• Cell volume: 3574.6 ± 1.3 ų
• Cell temperature: 308 ± 2 K
• Ambient diffraction temperature: 308 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes