Information card for entry 2231650

Structure parameters

• Chemical name: Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate
• Formula: C18 H20 Cl2 N2 Ni O5
• Calculated formula: C18 H20 Cl2 N2 Ni O5
• SMILES: [Ni]1234([N](=Cc5c(O1)ccc(Cl)c5)CC[OH]2)[N](=Cc1c(O3)ccc(Cl)c1)CC[OH]4.O
• Title of publication: Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate
• Authors of publication: Wang, Chen-Yi; Ye, Jin-Yun; Wu, Xiang; Han, Zhi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1229
• a: 9.846 ± 0.001 Å
• b: 12.646 ± 0.002 Å
• c: 16.006 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes