Information card for entry 4119734

Structure parameters

• Formula: C59 H92 Cl2 O2 P2 Ru
• Calculated formula: C59 H92 Cl2 O2 P2 Ru
• SMILES: [Ru](Cl)(Cl)(=C1c2c(C(=C1)c1ccccc1)cccc2)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.O1CCCC1.O1CCCC1
• Title of publication: The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis
• Authors of publication: César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7073 - 7079
• a: 20.52 ± 0.004 Å
• b: 14.543 ± 0.003 Å
• c: 18.761 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5599 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No