Information card for entry 2209708

Structure parameters

• Chemical name: Hexaaquanickel(II) bis[[<i>N</i>-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)] dodecahydrate
• Formula: C24 H58 Cu2 N4 Ni O26
• Calculated formula: C24 H58 Cu2 N4 Ni O26
• SMILES: c12ccccc1C=[N]1[C@H](C)C(=O)N3CC(=O)O[Cu]13O2.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.c12O[Cu]34[N](=Cc2cccc1)[C@@H](C)C(=O)N3CC(=O)O4.O.O.O.O.O
• Title of publication: Hexaaquanickel(II) bis{[<i>N</i>-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)} dodecahydrate
• Authors of publication: Bin Xu; Yan-Yan Zhang; Wen-Long Liu; Xiao-Ya Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1508 - m1509
• a: 28.314 ± 0.009 Å
• b: 11.792 ± 0.004 Å
• c: 14.407 ± 0.005 Å
• α: 90°
• β: 117.17 ± 0.01°
• γ: 90°
• Cell volume: 4279 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes