Information card for entry 7101511

Structure parameters

• Formula: C20 H38 Mn2 N4 Na O19
• Calculated formula: C20 H38 Mn2 N4 Na O19
• SMILES: C1c2cccc[n]2[Mn]2345([N]1(CC(=O)O2)CC(=O)O3)O[Mn]1234([N](Cc4cccc[n]14)(CC(=O)O2)CC(=O)O3)O5.[Na]([OH2])([OH2])[OH2].O.O.O.O.O.O
• Title of publication: X-ray photoreduction of a di(μ-oxo)MnIIIMnIV complex occurs at temperatures as low as 20 K
• Authors of publication: Lionel Dubois; Lilian Jacquamet; Jacques Pecaut; Jean-Marc Latour
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 43
• a: 18.9552 ± 0.0019 Å
• b: 6.7285 ± 0.0007 Å
• c: 24.535 ± 0.003 Å
• α: 90°
• β: 94.816 ± 0.002°
• γ: 90°
• Cell volume: 3118.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No