Information card for entry 2019807

Structure parameters

• Common name: C23H19CuN3O3
• Chemical name: (Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate
• Formula: C23 H19 Cu N3 O3
• Calculated formula: C23 H19 Cu N3 O3
• SMILES: [Cu]12(Oc3cccc4ccc[n]1c34)(Oc1c3[n]2cccc3ccc1)[n]1ccccc1.O
• Title of publication: Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate
• Authors of publication: Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m38
• a: 8.9129 ± 0.0004 Å
• b: 13.9987 ± 0.0007 Å
• c: 32.2568 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes