Information card for entry 2016042

Structure parameters

• Chemical name: Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^N,N)(<i>N</i>- phenylpyridine-2-carboxamideκ^2^N^1^,O)copper(II)
• Formula: C26 H22 Cu N4 O4
• Calculated formula: C26 H22 Cu N4 O4
• SMILES: [Cu]123([O]=C(Nc4ccccc4)c4[n]2cccc4)(OC(=[O]1)C)[n]1c(cccc1)C(=O)N3c1ccccc1
• Title of publication: Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>)(<i>N</i>-phenylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)
• Authors of publication: Gomes, Ligia; Low, John Nicolson; Valente, Mário A. D. C.; Freire, Cristina; Castro, Baltazar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m293 - m296
• a: 7.9604 ± 0.0001 Å
• b: 23.057 ± 0.003 Å
• c: 13.227 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes