Information card for entry 2229981

Structure parameters

• Chemical name: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4- hydroxybenzohydrazidato}pyridinecopper(II)
• Formula: C20 H16 Br Cu N3 O3
• Calculated formula: C20 H16 Br Cu N3 O3
• SMILES: [Cu]12(Oc3c(C(=[N]2N=C(O1)c1ccc(O)cc1)C)cc(Br)cc3)[n]1ccccc1
• Title of publication: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzohydrazidato}pyridinecopper(II)
• Authors of publication: Zhang, Jian-Min; Wang, Liang; Liu, Juan; Li, Yong-Chao; Li, Hong-Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m537
• a: 12.514 ± 0.003 Å
• b: 7.6539 ± 0.0015 Å
• c: 19.467 ± 0.004 Å
• α: 90°
• β: 93.276 ± 0.003°
• γ: 90°
• Cell volume: 1861.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes