Information card for entry 4311564

Structure parameters

• Formula: C85.75 H87.5 Cl0.25 Mn4 O28.5 P6
• Calculated formula: C84 H84 Mn4 O28 P6
• Title of publication: Trapping an Elusive Intermediate in Manganese-Oxo Cubane Chemistry
• Authors of publication: Jian-Zhong Wu; Eric Sellitto; Glenn P. A. Yap; John Sheats; G. Charles Dismukes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5795 - 5797
• a: 26.304 ± 0.005 Å
• b: 25.7 ± 0.005 Å
• c: 28.724 ± 0.005 Å
• α: 90°
• β: 112.139 ± 0.004°
• γ: 90°
• Cell volume: 17986 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1266
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No