Information card for entry 4305075

Structure parameters

• Formula: C30 H34 Cl0 F12 Mn2 N4 O7
• Calculated formula: C30 H34 F12 Mn2 N4 O7
• Title of publication: Studies of the Carbon Dioxide and Epoxide Coupling Reaction in the Presence of Fluorinated Manganese(III) Acacen Complexes: Kinetics of Epoxide Ring-Opening
• Authors of publication: Donald J. Darensbourg; Eric B. Frantz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4977 - 4987
• a: 9.8052 ± 0.0012 Å
• b: 15.8879 ± 0.0019 Å
• c: 12.0655 ± 0.0015 Å
• α: 90°
• β: 107.354 ± 0.002°
• γ: 90°
• Cell volume: 1794.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No