Information card for entry 2230031

Structure parameters

• Chemical name: [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato- κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate
• Formula: C24 H22 Cu N3 O5.5
• Calculated formula: C24 H22 Cu N3 O5.5
• Title of publication: [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato-κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate
• Authors of publication: Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m536
• a: 22.527 ± 0.006 Å
• b: 22.527 ± 0.006 Å
• c: 10.29 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5222 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes