Information card for entry 2225290

Structure parameters

• Chemical name: Diaquabis[3-(hydroxyimino)butanoato]nickel(II)
• Formula: C8 H16 N2 Ni O8
• Calculated formula: C8 H16 N2 Ni O8
• SMILES: C1C(C)=[N]([Ni]2([N](=C(CC(=O)O2)C)O)(OC1=O)([OH2])[OH2])O
• Title of publication: Diaquabis[3-(hydroxyimino)butanoato]nickel(II): a triclinic polymorph
• Authors of publication: Kalibabchuk, Valentina A.; Dudarenko, Nikolay M.; Iskenderov, Turganbay S.; Malysheva, Maria L.; Gumienna-Kontecka, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m316 - m317
• a: 5.5621 ± 0.0014 Å
• b: 7.34 ± 0.002 Å
• c: 8.2979 ± 0.0015 Å
• α: 90.71 ± 0.02°
• β: 92.29 ± 0.018°
• γ: 112.18 ± 0.02°
• Cell volume: 313.31 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes