Information card for entry 4134451

Structure parameters

• Formula: C66.65 H69.95 Cl0.35 O3 P3 Ru Zn
• Calculated formula: C66.65 H69.95 Cl0.35 O3 P3 Ru Zn
• 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: 12.3741 ± 0.0004 Å
• b: 12.7084 ± 0.0004 Å
• c: 20.744 ± 0.0006 Å
• α: 78.007 ± 0.003°
• β: 81.63 ± 0.003°
• γ: 63.847 ± 0.003°
• Cell volume: 2858.8 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No