Information card for entry 2004889

Structure parameters

• Formula: C36 H28 N2 Ni O2
• Calculated formula: C36 H28 N2 Ni O2
• SMILES: c1ccc(cc1)C[N]1=Cc2c(O[Ni]31Oc1ccc4c(c1C=[N]3Cc1ccccc1)cccc4)ccc1c2cccc1
• Title of publication: Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)
• Authors of publication: Elerman, Y.; Kabak, M.; Tahir, M. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1154 - 1156
• a: 20.756 ± 0.001 Å
• b: 6.16 ± 0.001 Å
• c: 21.475 ± 0.001 Å
• α: 90°
• β: 97.32 ± 0.01°
• γ: 90°
• Cell volume: 2723.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.211
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections: 2.42
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No