Information card for entry 2218323

Structure parameters

• Chemical name: {2-[(5-Bromo-2-oxidobenzylidene)amino-κ^2^N,O]-3-methylpentanoato-κO}(1,10- phenanthroline-κ^2^<i>N</i>,<i>N'</i>)copper(II)
• Formula: C25 H26 Br Cu N3 O5
• Calculated formula: C25 H26 Br Cu N3 O5
• SMILES: [Cu]123([N]([C@H](C(=O)O2)[C@H](CC)C)=Cc2c(O3)ccc(Br)c2)[n]2cccc3c2c2[n]1cccc2cc3.O.O
• Title of publication: {2-[(5-Bromo-2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]-3-methylpentanoato-κ<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate
• Authors of publication: Liu, Zheng; Wang, Yong-Liao; Wang, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m760
• a: 10.6184 ± 0.0018 Å
• b: 6.052 ± 0.0016 Å
• c: 19.777 ± 0.003 Å
• α: 90°
• β: 93.481 ± 0.002°
• γ: 90°
• Cell volume: 1268.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes