Information card for entry 2220991

Structure parameters

• Chemical name: {2,2'-[Cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C20 H20 N2 Ni O2
• Calculated formula: C20 H20 N2 Ni O2
• SMILES: [Ni]123Oc4ccccc4C=[N]2C2CCCCC2[N]3=Cc2ccccc2O1
• Title of publication: {2,2'-[Cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Tang, Chunbao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m317
• a: 7.6193 ± 0.0008 Å
• b: 19.118 ± 0.002 Å
• c: 11.5459 ± 0.0012 Å
• α: 90°
• β: 90.907 ± 0.001°
• γ: 90°
• Cell volume: 1681.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes