Information card for entry 2204782

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-bis[aqua(N-salicylideneaspartato)copper(II)]
• Formula: C32 H30 Cu2 N4 O12
• Calculated formula: C32 H30 Cu2 N4 O12
• SMILES: C1(=O)[C@@H](CC(=O)O)[N]2[Cu]([n]3ccc(cc3)c3cc[n](cc3)[Cu]34(Oc5c(C=[N]3[C@H](C(=O)O4)CC(=O)O)cccc5)[OH2])(O1)(Oc1ccccc1C=2)[OH2]
• Title of publication: μ-4,4'-Bipyridine-bis[aqua(<i>N</i>-salicylideneaspartato)copper(II)]
• Authors of publication: Lou, Ben-Yong; Yuan, Da-Qiang; Wu, Ben-Lai; Hong, Mao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1976 - m1977
• a: 10.2015 ± 0.0017 Å
• b: 10.621 ± 0.0013 Å
• c: 14.872 ± 0.002 Å
• α: 90°
• β: 106.838 ± 0.008°
• γ: 90°
• Cell volume: 1542.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes