Information card for entry 2004259

Structure parameters

• Formula: C23 H24 N2 Ni O2
• Calculated formula: C23 H23 N2 Ni O2
• SMILES: [Ni]12([N](Cc3c4ccccc4ccc3O1)=Cc1c(O2)cccc1)[NH]1CCCCC1
• Title of publication: {1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
• Authors of publication: Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2520 - 2522
• a: 9.313 ± 0.001 Å
• b: 19.202 ± 0.003 Å
• c: 22.33 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3993.2 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.0886
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No