Information card for entry 2223934

Structure parameters

• Chemical name: Triaquabis{μ-<i>N</i>-[<i>N</i>-(4-methoxy-2-\ oxidobenzylidene)glycyl]glycinato(3-)}cadmium(II)dicopper(II) dihydrate
• Formula: C24 H32 Cd Cu2 N4 O15
• Calculated formula: C24 H32 Cd Cu2 N4 O15
• SMILES: [Cu]123Oc4cc(ccc4C=[N]1CC(=O)N2CC1=[O][Cd]2([O]31)([O]1[Cu]34Oc5c(ccc(c5)OC)C=[N]3CC(=O)N4CC1=[O]2)([OH2])([OH2])[OH2])OC.O.O
• Title of publication: Triaquabis{μ-<i>N</i>-[<i>N</i>-(4-methoxy-2-oxidobenzylidene)glycyl]glycinato(3{-})}cadmium(II)dicopper(II) dihydrate
• Authors of publication: Jiang, Jiaxun; Lu, Yao; Yuan, Limin; Liu, Wenlong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1281
• a: 9.813 ± 0.002 Å
• b: 12.547 ± 0.003 Å
• c: 12.598 ± 0.003 Å
• α: 94.175 ± 0.004°
• β: 103.168 ± 0.003°
• γ: 90.148 ± 0.004°
• Cell volume: 1506 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes