Information card for entry 4311563

Structure parameters

• Formula: C98 H100 Mn4 O28 P6
• Calculated formula: C98 H100 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: 28.132 ± 0.004 Å
• b: 19.261 ± 0.003 Å
• c: 18.641 ± 0.003 Å
• α: 90°
• β: 110.055 ± 0.002°
• γ: 90°
• Cell volume: 9488 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No