Information card for entry 2204001

Structure parameters

• Chemical name: (Nitrato-κO)[1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olato-κO]copper(II)
• Formula: C17 H13 Cu N3 O4
• Calculated formula: C17 H13 Cu N3 O4
• SMILES: [Cu]123(Oc4c(c5c(cc4)cccc5)C=[N]3Cc3[n]2cccc3)ON(=[O]1)=O
• Title of publication: (Nitrato-κ<i>O</i>)[1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olato-κ<i>O</i>]copper(II)
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1079 - m1080
• a: 15.093 ± 0.003 Å
• b: 7.394 ± 0.002 Å
• c: 15.062 ± 0.003 Å
• α: 90°
• β: 112.766 ± 0.003°
• γ: 90°
• Cell volume: 1549.9 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes