Information card for entry 7013907

Structure parameters

• Common name: Manganese(iii)-tetrachlorocatechol-2-((bis(pyridin-2- ylmethyl)amino)methyl) -4-nitrophenol
• Chemical name: Manganese(III)-tetrachlorocatechol-2-((bis(pyridin-2-ylmethyl)amino)methyl) -4-nitrophenol
• Formula: C25 H17 Cl4 Mn N4 O5
• Calculated formula: C25 H17 Cl4 Mn N4 O5
• SMILES: [Mn]1234(Oc5c(C[N]2(Cc2[n]3cccc2)Cc2[n]4cccc2)cc(N(=O)=O)cc5)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1
• Title of publication: Unique example of flexible phenol coordination in mononuclear manganese compounds.
• Authors of publication: Reddig, Nicole; Pursche, Daniel; Rompel, Annette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1474 - 1480
• a: 12.4866 ± 0.0003 Å
• b: 13.9788 ± 0.0004 Å
• c: 14.9053 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2601.69 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No