Information card for entry 4336963

Structure parameters

• Common name: [Mn2LAc](ClO4)
• Formula: C75 H109 Cl2 Mn4 N13 O17
• Calculated formula: C75 H109 Cl2 Mn4 N13 O17
• Title of publication: Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn
• Authors of publication: Subhadeep Kal; Alexander S. Filatov; Peter H. Dinolfo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13963 - 13973
• a: 12.4348 ± 0.0014 Å
• b: 16.158 ± 0.0019 Å
• c: 21.724 ± 0.003 Å
• α: 90°
• β: 106.501 ± 0.002°
• γ: 90°
• Cell volume: 4185.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No