Information card for entry 4088279

Structure parameters

• Formula: C37 H68 Cl2 P2 Ru
• Calculated formula: C37 H68 Cl2 P2 Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=C
• Title of publication: Sterically Driven Olefin Metathesis: The Impact of Alkylidene Substitution on Catalyst Activity
• Authors of publication: Lummiss, Justin A. M.; Perras, Frédéric A.; McDonald, Robert; Bryce, David L.; Fogg, Deryn E.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 691
• a: 10.2601 ± 0.0002 Å
• b: 10.6107 ± 0.0002 Å
• c: 18.071 ± 0.0003 Å
• α: 100.204 ± 0.0008°
• β: 98.7088 ± 0.0009°
• γ: 96.6684 ± 0.0009°
• Cell volume: 1893.12 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No