Information card for entry 4108013

Structure parameters

• Common name: [Cp*2Mo2S2S(Bz)S(Me)] + C6H6
• Formula: C34 H46 Mo2 S4
• Calculated formula: C34 H46 Mo2 S4
• 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: 10.5202 ± 0.0004 Å
• b: 12.5398 ± 0.0005 Å
• c: 26.2385 ± 0.001 Å
• α: 87.631 ± 0.002°
• β: 84.018 ± 0.002°
• γ: 78.866 ± 0.001°
• Cell volume: 3377 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No