Information card for entry 2208786

Structure parameters

• Chemical name: hexaaquamanganese(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]copper(II)} dodecahydrate
• Formula: C24 H58 Cu2 Mn N4 O26
• Calculated formula: C24 H58 Cu2 Mn N4 O26
• SMILES: c12O[Cu]34[N](=Cc2cccc1)[C@@H](C)C(=O)N3CC(=O)O4.[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.c12ccccc1C=[N]1[C@H](C)C(=O)N3CC(=O)O[Cu]13O2.O.O.O.O.O
• Title of publication: A Cu‒Mn complex of a Schiff base containing alanylglycine: hexaaquamanganese(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate
• Authors of publication: Wen-Long Liu; Yao Lu; Xin-Fang Liu; Yan-Yan Zhang; Xiao-Ya Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1109 - m1111
• a: 28.479 ± 0.006 Å
• b: 11.781 ± 0.002 Å
• c: 14.483 ± 0.003 Å
• α: 90°
• β: 117.28 ± 0.01°
• γ: 90°
• Cell volume: 4318.8 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes