Information card for entry 2016221

Structure parameters

• Common name: diaquatetrakis(urea)nickel(II) nitrate
• Chemical name: Diaquatetrakis(urea-κO)nickel(II) dinitrate
• Formula: C4 H20 N10 Ni O12
• Calculated formula: C4 H20 N10 Ni O12
• SMILES: C(N)(N)=[O][Ni]([O]=C(N)N)([O]=C(N)N)([O]=C(N)N)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co
• Authors of publication: Krawczuk, Anna; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m448 - m450
• a: 6.458 ± 0.0002 Å
• b: 18.0522 ± 0.0005 Å
• c: 7.5331 ± 0.0003 Å
• α: 90°
• β: 95.758 ± 0.002°
• γ: 90°
• Cell volume: 873.79 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes