Information card for entry 7111995

Structure parameters

• Formula: C39 H58 P2 Ru
• Calculated formula: C39 H58 P2 Ru
• SMILES: [RuH]1234([P]5(C6CCCC5CCC6)CC(C)C)([P]5(C6CCCC5CCC6)CC(C)C)[cH]5[cH]1[c]2([c]13cccc[c]451)c1ccccc1
• Title of publication: From ruthenium olefin metathesis catalyst to (eta^5^-3-phenylindenyl)hydrido complex via alcoholysis
• Authors of publication: Simone Manzini; David J. Nelson; Tomas Lebl; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2205
• a: 9.4786 ± 0.0004 Å
• b: 19.3191 ± 0.0009 Å
• c: 19.1591 ± 0.0014 Å
• α: 90°
• β: 100.019 ± 0.007°
• γ: 90°
• Cell volume: 3454.9 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No