Information card for entry 4304044

Structure parameters

• Formula: C42 H24 Cl22 Mn4 N2 O17
• Calculated formula: C42 H24 Cl22 Mn4 N2 O17
• Title of publication: Mixed-Valence Tetra- and Hexanuclear Manganese Complexes from the Flexibility of Pyridine-Containing β-Diketone Ligands
• Authors of publication: Chen-I Yang; Wolfgang Wernsdorfer; Yu-Jhe Tsai; George Chung; Ting-Shen Kuo; Gene-Hsiang Lee; Minghuey Shieh; Hui-Lien Tsai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1925 - 1939
• a: 13.4906 ± 0.0002 Å
• b: 13.7032 ± 0.0003 Å
• c: 19.1591 ± 0.0004 Å
• α: 73.4925 ± 0.0011°
• β: 78.695 ± 0.001°
• γ: 80.5114 ± 0.0006°
• Cell volume: 3307.45 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2341
• Weighted residual factors for all reflections included in the refinement: 0.2722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No