Information card for entry 2225438

Structure parameters

• Chemical name: {1,1'-[2,2-Dimethylpropane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}nickel(II)
• Formula: C27 H24 N2 Ni O2
• Calculated formula: C27 H24 N2 Ni O2
• SMILES: [Ni]123Oc4ccc5ccccc5c4C=[N]2CC(C[N]3=Cc2c3ccccc3ccc2O1)(C)C
• Title of publication: {1,1'-[2,2-Dimethylpropane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Khan, Islam Ullah; Zare, Karim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m360
• a: 7.5016 ± 0.0002 Å
• b: 11.3583 ± 0.0003 Å
• c: 13.0173 ± 0.0003 Å
• α: 87.846 ± 0.002°
• β: 89.496 ± 0.001°
• γ: 76.196 ± 0.001°
• Cell volume: 1076.35 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes