Information card for entry 2212034

Structure parameters

• Chemical name: Aqua(2,2'-bipyridyl-κ^2^N,N'){2-[(3,5-dichloro-2-oxidobenzylidene)amino]- 3-methylpentanoato-κ^3^N,O,O'}copper(II) 2.5-hydrate
• Formula: C23 H26 Cl2 Cu N3 O5.5
• Calculated formula: C46 H52 Cl4 Cu2 N6 O11
• SMILES: [Cu]123([N]([C@H](C(=O)O2)[C@H](CC)C)=Cc2c(O3)c(Cl)cc(Cl)c2)[n]2ccccc2c2[n]1cccc2.O.O.O
• Title of publication: Aqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>'){2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-methylpentanoato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'}copper(II) 2.5-hydrate
• Authors of publication: Feng, Xiao-Zhen; Zhang, Shu-Hua; Liu, Zheng; Li, Guang-Zhao; Jin, Li-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m529 - m531
• a: 19.463 ± 0.003 Å
• b: 6.391 ± 0.002 Å
• c: 20.302 ± 0.002 Å
• α: 90°
• β: 91.522 ± 0.003°
• γ: 90°
• Cell volume: 2524.4 ± 0.9 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: 0.1114
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes