Information card for entry 2224098

Structure parameters

• Chemical name: Hexaaquamagnesium(II) bis{[<i>N</i>-(4-methoxy-2-oxidobenzylidene)glycylglycinato(3-)]cuprate(II)} hexahydrate
• Formula: C24 H46 Cu2 Mg N4 O22
• Calculated formula: C24 H46 Cu2 Mg N4 O22
• SMILES: c12O[Cu]34[N](=Cc2ccc(c1)OC)CC(=O)N4CC(=O)O3.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.c12cc(ccc1C=[N]1CC(=O)N3CC(=O)O[Cu]13O2)OC.O.O.O
• Title of publication: Hexaaquamagnesium(II) bis{[<i>N</i>-(4-methoxy-2-oxidobenzylidene)glycylglycinato(3{-})]cuprate(II)} hexahydrate
• 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: m1352
• a: 7.8606 ± 0.0014 Å
• b: 10.933 ± 0.002 Å
• c: 11.539 ± 0.002 Å
• α: 76.65 ± 0.002°
• β: 76.685 ± 0.002°
• γ: 80.737 ± 0.002°
• Cell volume: 932.8 ± 0.3 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: 0.0432
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes