Information card for entry 4339856

Structure parameters

• Formula: C23 H32 Mn2 N2 O11
• Calculated formula: C23 H32 Mn2 N2 O11
• SMILES: c12ccccc1C(=O)N1CC3CN4C(=O)c5ccccc5O[Mn]54([O]3[Mn]1(O2)([O]=C(C)O5)([OH]C)[OH]C)([OH]C)[OH]C
• Title of publication: Structure and properties of dinuclear manganese(III) complexes with pentaanionic pentadentate ligands including alkoxo, amido, and phenoxo donors.
• Authors of publication: Stoicescu, Liliana; Jeanson, Aurélie; Duhayon, Carine; Tesouro-Vallina, Ana; Boudalis, Athanassios K.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6902 - 6910
• a: 10.511 ± 0.005 Å
• b: 11.713 ± 0.005 Å
• c: 13.135 ± 0.005 Å
• α: 64.401 ± 0.005°
• β: 74 ± 0.005°
• γ: 66.774 ± 0.005°
• Cell volume: 1329.3 ± 1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No