Information card for entry 4100759

Structure parameters

• Formula: C7 H16 Cu Mn N2 O11
• Calculated formula: C7 H16 Cu Mn N2 O11
• SMILES: [Cu]123([OH2])OC4C(=[N]1CCC[N]3=C1C(=[O][Mn](O1)([OH2])[OH2])O2)O[Mn]1([O]=4)([OH2])([OH2])OC2C(=[O]1)O[Cu]13([OH2])[N]=2CCC[N]1=C([O-])C(=[O])O3.O.O.O.O
• Title of publication: Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties
• Authors of publication: Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1219 - 1228
• a: 12.7858 ± 0.0005 Å
• b: 21.2972 ± 0.0008 Å
• c: 5.1864 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1412.27 ± 0.09 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No