Information card for entry 4066672

Structure parameters

• Common name: unimc07
• Formula: C21 H18 Br F3 O7 Ru2 S
• Calculated formula: C21 H18 Br F3 O7 Ru2 S
• Title of publication: Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands
• Authors of publication: Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3868
• a: 13.4275 ± 0.0019 Å
• b: 13.843 ± 0.002 Å
• c: 15.539 ± 0.002 Å
• α: 72.481 ± 0.003°
• β: 74.723 ± 0.002°
• γ: 75.042 ± 0.003°
• Cell volume: 2606.4 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No