Information card for entry 4333996

Structure parameters

• Formula: C74 H112 K2 Mn2 N4 O20
• Calculated formula: C74 H112 K2 Mn2 N4 O20
• Title of publication: Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids
• Authors of publication: Jonathan M. Smieja; Matthew D. Sampson; Kyle A. Grice; Eric E. Benson; Jesse D. Froehlich; Clifford P. Kubiak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2484 - 2491
• a: 18.2559 ± 0.0004 Å
• b: 18.4759 ± 0.0004 Å
• c: 24.2973 ± 0.0005 Å
• α: 90°
• β: 98.556 ± 0.001°
• γ: 90°
• Cell volume: 8104.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No