Information card for entry 4068474

Structure parameters

• Common name: [Cp*Mo-mu-S-mu-SH]2
• Formula: C20 H32 Mo2 S4
• Calculated formula: C20 H32 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: 8.1827 ± 0.0008 Å
• b: 8.4976 ± 0.0008 Å
• c: 10.5613 ± 0.001 Å
• α: 102.598 ± 0.002°
• β: 102.636 ± 0.002°
• γ: 116.337 ± 0.001°
• Cell volume: 599.04 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No