Information card for entry 2227756

Structure parameters

• Chemical name: Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato- κ^2^<i>N</i>,<i>O</i>}copper(II)
• Formula: C36 H28 Cu N2 O2
• Calculated formula: C36 H28 Cu N2 O2
• SMILES: c1([N]2=Cc3c(O[Cu]42[N](=Cc2c(O4)ccc4c2cccc4)c2ccc(cc2)C)ccc2c3cccc2)ccc(cc1)C
• Title of publication: Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato-κ^2^<i>N</i>,<i>O</i>}copper(II)
• Authors of publication: Zhu, Peihua; Wang, Hongyan; Wang, Yan; Chen, Yanli; Wei, Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1076
• a: 7.0948 ± 0.0006 Å
• b: 10.2335 ± 0.0007 Å
• c: 10.5784 ± 0.001 Å
• α: 104.559 ± 0.007°
• β: 98.728 ± 0.007°
• γ: 102.573 ± 0.007°
• Cell volume: 708.01 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes