Information card for entry 4313447

Structure parameters

• Formula: C34 H28 O9 Re3 S2
• Calculated formula: C34 H28 O9 Re3 S2
• Title of publication: Hydrogenation and Carbon-Sulfur Bond Hydrogenolysis of Benzothiophene Promoted by Re2(CO)10 and H4Re4(CO)12
• Authors of publication: Michael A. Reynolds; Ilia A. Guzei; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2191 - 2193
• a: 12.9067 ± 0.0006 Å
• b: 13.1464 ± 0.0006 Å
• c: 21.4224 ± 0.001 Å
• α: 90°
• β: 96.0393 ± 0.001°
• γ: 90°
• Cell volume: 3614.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No