Information card for entry 4108014

Structure parameters

• Common name: [Cp*2Mo2S3SMe]2
• Formula: C42 H66 Mo4 S8
• Calculated formula: C42 H66 Mo4 S8
• 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: 11.6316 ± 0.0004 Å
• b: 11.6316 ± 0.0004 Å
• c: 35.549 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4809.6 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No