Information card for entry 2228268

Structure parameters

• Chemical name: {2,2'-[4-Chloro-5-methyl-<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C21 H15 Cl N2 Ni O2
• Calculated formula: C21 H15 Cl N2 Ni O2
• SMILES: [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2ccccc2O1)cc(c(Cl)c3)C)cccc4
• Title of publication: {2,2'-[4-Chloro-5-methyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Wang, Haixia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1571
• a: 11.0451 ± 0.001 Å
• b: 8.0202 ± 0.0007 Å
• c: 19.5959 ± 0.0017 Å
• α: 90°
• β: 106.37°
• γ: 90°
• Cell volume: 1665.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes