Information card for entry 4101406

Structure parameters

• Formula: C24 H49 Cl P2 Ru
• Calculated formula: C24 H49 Cl P2 Ru
• SMILES: [RuH]12(Cl)[P](C[C@H]3C=2[C@@H](C[P]1(C(C)(C)C)C(C)(C)C)CCC3)(C(C)(C)C)C(C)(C)C
• Title of publication: Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.
• Authors of publication: Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14388 - 14396
• a: 11.489 ± 0.0002 Å
• b: 15.318 ± 0.0004 Å
• c: 15.526 ± 0.0004 Å
• α: 90°
• β: 97.331 ± 0.0009°
• γ: 90°
• Cell volume: 2710.06 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No