Information card for entry 2018722

Structure parameters

• Chemical name: di-μ-oxido-bis(bis{3-[bis(pyridin-2-ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)]
• Formula: C30 H44 Ce2 Mn2 N14 O36
• Calculated formula: C30 H44 Ce2 Mn2 N14 O36
• SMILES: C1(=O)O[Mn]2345(O[Mn]6785([N](CCC(=O)O8)(Cc5cccc[n]65)Cc5[n]7cccc5)O4)[N](CC1)(Cc1cccc[n]21)Cc1[n]3cccc1.N1(=[O][Ce]234(O1)([O]=N(O2)=O)([O]=N(=O)O3)([O]=N(=O)O4)([OH2])([OH2])[OH2])=O.N1(=[O][Ce]234(O1)([O]=N(=O)O2)([O]=N(=O)O3)([O]=N(=O)O4)([OH2])([OH2])[OH2])=O
• Title of publication: Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex
• Authors of publication: Lennartson, Anders; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m347 - m352
• a: 9.8698 ± 0.0005 Å
• b: 10.6007 ± 0.0006 Å
• c: 13.9273 ± 0.0008 Å
• α: 94.978 ± 0.003°
• β: 110.547 ± 0.002°
• γ: 104.276 ± 0.002°
• Cell volume: 1297.99 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0186
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes