Information card for entry 7112481

Structure parameters

• Formula: C22 H27 Cl4 Mn N5
• Calculated formula: C21.999 H26.998 Cl3.998 Mn N5
• Title of publication: Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity
• Authors of publication: Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 4607 - 4609
• a: 15.9762 ± 0.00017 Å
• b: 15.10805 ± 0.00017 Å
• c: 21.3826 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5161.1 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No