Information card for entry 4108012

Structure parameters

• Common name: [Cp*sMo(S2)SSMe][O3SCF3]
• Formula: C47.5 H70 F6 Mo4 O6 S10
• Calculated formula: C47.5 H70 F6 Mo4 O6 S10
• Title of publication: Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex
• Authors of publication: Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8940 - 8951
• a: 33.703 ± 0.005 Å
• b: 20.664 ± 0.003 Å
• c: 23.485 ± 0.004 Å
• α: 90°
• β: 132.887 ± 0.002°
• γ: 90°
• Cell volume: 11984 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1075
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No