Information card for entry 2215045

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^N,N')[3-(2-oxidobenzylideneamino)propanoato- κ^3^O,N,O']copper(II) dihydrate
• Formula: C20 H21 Cu N3 O5
• Calculated formula: C20 H21 Cu N3 O5
• SMILES: [Cu]123([n]4c(c5cccc[n]15)cccc4)[N](=Cc1c(cccc1)O2)CCC(=O)O3.O.O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[3-(2-oxidobenzylideneamino)propanoato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) dihydrate
• Authors of publication: Xie, Ji-Min; Zhao, Gan-Qing; Shao, Min; Liu, Hua; Lu, Xiao-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2351 - m2352
• a: 15.1164 ± 0.0014 Å
• b: 13.1426 ± 0.0012 Å
• c: 19.6898 ± 0.0019 Å
• α: 90°
• β: 91.204 ± 0.001°
• γ: 90°
• Cell volume: 3910.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes