Information card for entry 2226010

Structure parameters

• Chemical name: Hexaaquamanganese(II) bis{[<i>N</i>-(3-methoxy-2-oxidobenzylidene)glycylglycinato]copper(II)} hexahydrate
• Formula: C24 H46 Cu2 Mn N4 O22
• Calculated formula: C24 H46 Cu2 Mn N4 O22
• SMILES: c12c(cccc1C=[N]1CC(=O)N3CC(=O)O[Cu]13O2)OC.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.c12O[Cu]34[N](=Cc2cccc1OC)CC(=O)N3CC(=O)O4.O.O.O
• Title of publication: Hexaaquamanganese(II) bis{[<i>N</i>-(3-methoxy-2-oxidobenzylidene)glycylglycinato]copper(II)} hexahydrate
• Authors of publication: Lei, Long-Wei; Jiang, Yin-Zhi; Zou, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m520 - m521
• a: 6.712 ± 0.001 Å
• b: 11.762 ± 0.002 Å
• c: 12.092 ± 0.002 Å
• α: 76.51 ± 0.01°
• β: 83.9 ± 0.01°
• γ: 80.37 ± 0.01°
• Cell volume: 912.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes