Information card for entry 2228400

Structure parameters

• Chemical name: Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate
• Formula: C26 H26 N4 Ni O10
• Calculated formula: C26 H26 N4 Ni O10
• SMILES: c1(ccc(cc1C(=O)[O-])[N]1=Cc2[n](cccc2)[Ni]21([OH2])([N](c1ccc(c(C(=O)[O-])c1)O)=Cc1[n]2cccc1)[OH2])O.O.O
• Title of publication: Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate
• Authors of publication: Zha, Meiqin; Li, Xing; Bing, Yue; Luo, Zhengbing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1570
• a: 15.7628 ± 0.0006 Å
• b: 10.5672 ± 0.0003 Å
• c: 15.6178 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2601.44 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes