Information card for entry 2209007

Structure parameters

• Chemical name: Bis[2-(4-chlorophenyliminomethyl)phenolato]nickel(II)
• Formula: C26 H18 Cl2 N2 Ni O2
• Calculated formula: C26 H18 Cl2 N2 Ni O2
• SMILES: O1[Ni]2([N](=Cc3c1cccc3)c1ccc(cc1)Cl)[N](=Cc1c(cccc1)O2)c1ccc(cc1)Cl
• Title of publication: Bis[2-(4-chlorophenyliminomethyl)phenolato]nickel(II)
• Authors of publication: San-Jun Peng; Cong-Shan Zhou; Tao Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1066 - m1068
• a: 13.568 ± 0.002 Å
• b: 10.676 ± 0.003 Å
• c: 8.168 ± 0.004 Å
• α: 90°
• β: 99.027 ± 0.003°
• γ: 90°
• Cell volume: 1168.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes