Information card for entry 4085409

Structure parameters

• Formula: C61 H71 O P S2 W
• Calculated formula: C61 H71 O P S2 W
• SMILES: [W](Sc1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(cc1C)C)([P](c1ccccc1)(C)C)(Sc1c(cccc1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)(=O)=CC(C)(C)C
• Title of publication: Strongly σ Donating Thiophenoxide in Silica-Supported Tungsten Oxo Catalysts for Improved 1-Alkene Metathesis Efficiency
• Authors of publication: Mougel, Victor; Pucino, Margherita; Copéret, Christophe
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 551
• a: 12.0112 ± 0.0005 Å
• b: 22.0746 ± 0.0013 Å
• c: 20.3751 ± 0.0014 Å
• α: 90°
• β: 91.52 ± 0.005°
• γ: 90°
• Cell volume: 5400.4 ± 0.5 ų
• Cell temperature: 101 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No