Information card for entry 4134449

Structure parameters

• Formula: C63 H63 Mg O2 P3 Ru
• Calculated formula: C63 H63 Mg O2 P3 Ru
• Title of publication: Zn-Promoted C-H Reductive Elimination and H₂ Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.
• Authors of publication: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6340 - 6349
• a: 41.0356 ± 0.0005 Å
• b: 13.7554 ± 0.0002 Å
• c: 19.4148 ± 0.0002 Å
• α: 90°
• β: 99.045 ± 0.001°
• γ: 90°
• Cell volume: 10822.6 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No