Information card for entry 4314387

Structure parameters

• Common name: manganese(III)dichloride monomer
• Chemical name: manganesedichloro(bis(N-methylimdazol-2-yl)-picolyl)perchlorate
• Formula: C16 H20 Cl3 Mn N6 O4
• Calculated formula: C16 H20 Cl3 Mn N6 O4
• Title of publication: Catalytic Oxidation of 3,5-Di-tert-butylcatechol by a Series of Mononuclear Manganese Complexes: Synthesis, Structure, and Kinetic Investigation
• Authors of publication: Michael U. Triller; Daniel Pursche; Wen-Yuan Hsieh; Vincent L. Pecoraro; Annette Rompel; Bernt Krebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6274 - 6283
• a: 9.094 ± 0.002 Å
• b: 15.305 ± 0.003 Å
• c: 15.865 ± 0.003 Å
• α: 90°
• β: 106.13 ± 0.03°
• γ: 90°
• Cell volume: 2121.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No