Information card for entry 4305077

Structure parameters

• Formula: C27 H26 Cl2 F12 Mn2 N6 O4 S2
• Calculated formula: C27 H26 Cl2 F12 Mn2 N6 O4 S2
• 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: 21.596 ± 0.008 Å
• b: 11.332 ± 0.004 Å
• c: 15.887 ± 0.006 Å
• α: 90°
• β: 101.996 ± 0.006°
• γ: 90°
• Cell volume: 3803 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No