Information card for entry 4130464

Structure parameters

• Formula: C41.26 H55.51 Cl8.51 N4 P Ru
• Calculated formula: C41.253 H55.506 Cl8.506 N4 P Ru
• Title of publication: In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes.
• Authors of publication: Lee, Juneyoung; Grandner, Jessica M.; Engle, Keary M.; Houk, K. N.; Grubbs, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 22
• Pages of publication: 7171 - 7177
• a: 10.1461 ± 0.0008 Å
• b: 13.3816 ± 0.0011 Å
• c: 18.3452 ± 0.0014 Å
• α: 95.62 ± 0.003°
• β: 94.475 ± 0.003°
• γ: 104.537 ± 0.003°
• Cell volume: 2385.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No