Information card for entry 4129360

Structure parameters

• Formula: C34 H44 Cl4 N2 O Ru
• Calculated formula: C34 H44 Cl4 N2 O Ru
• Title of publication: Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.
• Authors of publication: Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 17
• Pages of publication: 5782 - 5792
• a: 11.6691 ± 0.0006 Å
• b: 14.3203 ± 0.0007 Å
• c: 21.4702 ± 0.0011 Å
• α: 90°
• β: 102.345 ± 0.002°
• γ: 90°
• Cell volume: 3504.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No