Information card for entry 7206578

Structure parameters

• Common name: MnL1ClO4
• Formula: C22 H28 Cl Mn N2 O10
• Calculated formula: C22 H32 Cl Mn N2 O11
• SMILES: c12c(cccc1C=[N]1CC(C)(C)[N]3=Cc4cccc(c4O[Mn]13(O2)([OH2])[OH2])OCC)OCC.O.[O-]Cl(=O)(=O)=O
• Title of publication: Manganese-Schiff base complexes as catalysts for water photolysis.
• Authors of publication: González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 40
• Pages of publication: 18069 - 18077
• a: 13.7192 ± 0.0013 Å
• b: 15.7383 ± 0.001 Å
• c: 13.6309 ± 0.001 Å
• α: 90°
• β: 119.689 ± 0.004°
• γ: 90°
• Cell volume: 2556.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No