Information card for entry 2231574

Structure parameters

• Chemical name: Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate
• Formula: C25 H33 N5 Ni O9
• Calculated formula: C25 H33 N5 Ni O9
• SMILES: [Ni]1234(Oc5ccc(N(=O)=O)cc5C=[N]3C(C)(C)C[OH]1)Oc1ccc(N(=O)=O)cc1C=[N]4C(C)(C)C[OH]2.O=CN(C)C
• Title of publication: Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate
• Authors of publication: Ayikoé, Kouassi; Gultneh, Yilma; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1211
• a: 11.42279 ± 0.00016 Å
• b: 11.42936 ± 0.00018 Å
• c: 21.4903 ± 0.0003 Å
• α: 90°
• β: 99.112 ± 0.0014°
• γ: 90°
• Cell volume: 2770.26 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes