Information card for entry 4320826

Structure parameters

• Formula: C74.5 H55 Cl3 Mn4 O17
• Calculated formula: C74.5 H55 Cl3 Mn4 O17
• Title of publication: Tetranuclear Manganese Carboxylate Complexes with a Trigonal Pyramidal Metal Topology via Controlled Potential Electrolysis
• Authors of publication: Sheyi Wang; Michael S. Wemple; Jae Yoo; Kirsten Folting; John C. Huffman; Karl S. Hagen; David N. Hendrickson; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1501 - 1513
• a: 15.162 ± 0.003 Å
• b: 21.577 ± 0.004 Å
• c: 22.683 ± 0.004 Å
• α: 90°
• β: 108.035 ± 0.015°
• γ: 90°
• Cell volume: 7056 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.131
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No