Information card for entry 2203663

Structure parameters

• Chemical name: (2-{2-[α-(5-chloro-2-oxidophenyl)benzylideneamino]phenyliminomethyl}- 5-hydroxyphenolato)nickel(II) methanol disolvate
• Formula: C28 H25 Cl N2 Ni O5
• Calculated formula: C28 H25 Cl N2 Ni O5
• SMILES: [Ni]123Oc4c(C=[N]2c2c([N]1=C(c1c(O3)ccc(Cl)c1)c1ccccc1)cccc2)ccc(O)c4.CO.CO
• Title of publication: A nickel(II) complex of an unsymmetrical tetradentate Schiff base
• Authors of publication: Zhu, Bixue; Ruang, Wenjuan; Zhu, Zhiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m634 - m636
• a: 13.856 ± 0.01 Å
• b: 14.172 ± 0.01 Å
• c: 15.863 ± 0.011 Å
• α: 95.181 ± 0.012°
• β: 101.862 ± 0.012°
• γ: 119.151 ± 0.011°
• Cell volume: 2595 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes