Information card for entry 4068475

Structure parameters

• Common name: [Cp*2Mo2S2S(H)S(Me)]
• Formula: C21 H34 Mo2 S4
• Calculated formula: C21 H33 Mo2 S4
• Title of publication: Determination of S−H Bond Strengths in Dimolybdenum Tetrasulfide Complexes
• Authors of publication: Appel, Aaron M.; Lee, Suh-Jane; Franz, James A.; DuBois, Daniel L.; Rakowski DuBois, M.; Twamley, Brendan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 749
• a: 8.1814 ± 0.0003 Å
• b: 14.4649 ± 0.0005 Å
• c: 10.7065 ± 0.0004 Å
• α: 90°
• β: 108.809 ± 0.001°
• γ: 90°
• Cell volume: 1199.38 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No