Information card for entry 4314388

Structure parameters

• Common name: manganese(II)dichloride monomer
• Chemical name: manganesedichloro((1-methylimidazol-2-yl)methyl)((2-pyridyl)methyl) -2-hydroxyphenylamine)
• Formula: C18 H22 Cl2 Mn N4 O2
• Calculated formula: C18 H21 Cl2 Mn N4 O2
• SMILES: [Mn]123(Cl)(Cl)[OH]c4c([N]1(Cc1n(cc[n]21)C)Cc1[n]3cccc1)cccc4.OC
• 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: 14.345 ± 0.003 Å
• b: 15.692 ± 0.003 Å
• c: 9.175 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2065.3 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No