Information card for entry 2225302

Structure parameters

• Chemical name: Diaquabis[3-(hydroxyimino)butanoato]nickel(II)
• Formula: C8 H16 N2 Ni O8
• Calculated formula: C8 H16 N2 Ni O8
• SMILES: [Ni]12([N](=C(CC(=O)O1)C)O)([N](=C(CC(=O)O2)C)O)([OH2])[OH2]
• Title of publication: Diaquabis[3-(hydroxyimino)butanoato]nickel(II)
• Authors of publication: Dudarenko, Nikolay M.; Kalibabchuk, Valentina A.; Malysheva, Maria L.; Iskenderov, Turganbay S.; Gumienna-Kontecka, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m277 - m278
• a: 9.6071 ± 0.0009 Å
• b: 7.1721 ± 0.0007 Å
• c: 9.6805 ± 0.0009 Å
• α: 90°
• β: 107.557 ± 0.005°
• γ: 90°
• Cell volume: 635.94 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes