Information card for entry 4318741

Structure parameters

• Common name: manganese(III)monomuoxodimer
• Chemical name: dimanganese(mu-oxo)dichloro((bis(picolyl)-N-methyl-imidazol-2-yl)i bis(acetonitrile)diperchlorate
• Formula: C38 H44 Cl4 Mn2 N12 O9
• Calculated formula: C38 H44 Cl4 Mn2 N12 O9
• Title of publication: Preparation of Highly Efficient Manganese Catalase Mimics
• Authors of publication: Michael U. Triller; Wen-Yuan Hsieh; Vincent L. Pecoraro; Annette Rompel; Bernt Krebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5544 - 5554
• a: 10.445 ± 0.002 Å
• b: 14.277 ± 0.003 Å
• c: 15.123 ± 0.003 Å
• α: 90°
• β: 90.71 ± 0.03°
• γ: 90°
• Cell volume: 2255 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No