Information card for entry 2219895

Structure parameters

• Chemical name: Bis{4-chloro-6-formyl-2-[(<i>E</i>)-2-(1<i>H</i>-imidazol-4- yl-κN^3^)ethyliminomethyl-κN]phenolato-κ<i>O</i>^1^}nickel(II)
• Formula: C26 H22 Cl2 N6 Ni O4
• Calculated formula: C26 H22 Cl2 N6 Ni O4
• SMILES: c12c(C=O)cc(cc1C=[N]1[Ni]34(O2)([N](=Cc2c(c(cc(c2)Cl)C=O)O4)CCc2[n]3c[nH]c2)[n]2c(CC1)c[nH]c2)Cl
• Title of publication: Bis{4-chloro-6-formyl-2-[(<i>E</i>)-2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyliminomethyl-κ<i>N</i>]phenolato-κ<i>O</i>^1^}nickel(II)
• Authors of publication: Mao, Jia-Wei; Zhou, Hong; Pan, Zhi-Quan; Meng, Xiang-Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1367 - m1368
• a: 13.5883 ± 0.0016 Å
• b: 13.5883 ± 0.0016 Å
• c: 14.0392 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2592.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes