Information card for entry 4337809

Structure parameters

• Formula: C67 H72.5 Cl Mn3 N7.5 O13
• Calculated formula: C67 H72.5 Cl Mn3 N7.5 O13
• Title of publication: Trinuclear Manganese Complexes of Unsymmetrical Polypodal Diamino N3O3 Ligands with an Unusual [Mn3(μ-OR)4](5+) Triangular Core: Synthesis, Characterization, and Catalase Activity.
• Authors of publication: Ledesma, Gabriela N.; Anxolabéhère-Mallart, Elodie; Rivière, Eric; Mallet-Ladeira, Sonia; Hureau, Christelle; Signorella, Sandra R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2545 - 2553
• a: 29.7225 ± 0.0015 Å
• b: 26.7796 ± 0.0014 Å
• c: 20.8404 ± 0.0011 Å
• α: 90°
• β: 125.972 ± 0.002°
• γ: 90°
• Cell volume: 13424.8 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No