Information card for entry 2218163

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[<i>N</i>-(2-oxido-1- naphthylidene)threoninato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]copper(II)
• Formula: C25 H21 Cu N3 O4
• Calculated formula: C25 H21 Cu N3 O4
• SMILES: [Cu]123([N]([C@H](C(=O)O3)[C@H](O)C)=Cc3c(O2)ccc2c3cccc2)[n]2ccccc2c2[n]1cccc2
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[<i>N</i>-(2-oxido-1-naphthylidene)threoninato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]copper(II)
• Authors of publication: Qiu, Zhanglei; Li, Lianzhi; Liu, Yan; Xu, Tao; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m745 - m746
• a: 9.955 ± 0.002 Å
• b: 12.18 ± 0.003 Å
• c: 18.438 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2235.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes