Information card for entry 2228606

Structure parameters

• Chemical name: [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)leucinato- κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Formula: C26 H27 Cu N3 O5
• Calculated formula: C26 H27 Cu N3 O5
• SMILES: [Cu]123([N]([C@H](C(=O)O2)CC(C)C)=Cc2c(O3)c(OC)ccc2)[n]2cccc3c2c2[n]1cccc2cc3.O
• Title of publication: [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Authors of publication: Huang, Lei; Dong, Jianfang; Jing, Buqin; Li, Lianzhi; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1553
• a: 11.1981 ± 0.0012 Å
• b: 10.419 ± 0.0011 Å
• c: 21.298 ± 0.002 Å
• α: 90°
• β: 98.552 ± 0.001°
• γ: 90°
• Cell volume: 2457.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes