Information card for entry 2017434

Structure parameters

• Chemical name: {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Formula: C28 H18 N2 Ni O2
• Calculated formula: C28 H18 N2 Ni O2
• SMILES: [Ni]123[N](=Cc4c(O2)ccc2ccccc42)c2c([N]3=Cc3c(O1)ccc1ccccc31)cccc2
• Title of publication: Interactions between dimers of {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Authors of publication: Blagus, Anita; Kaitner, Branko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m455 - m458
• a: 15.8669 ± 0.0003 Å
• b: 7.5765 ± 0.0001 Å
• c: 16.4065 ± 0.0002 Å
• α: 90°
• β: 97.9769 ± 0.0013°
• γ: 90°
• Cell volume: 1953.23 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes