Information card for entry 4134447

Structure parameters

• Formula: C62 H60 Li O2 P3 Ru
• Calculated formula: C62 H60 Li O2 P3 Ru
• SMILES: [RuH]12([P](c3c1cccc3)(c1ccccc1)c1ccccc1)([P](c1c2cccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Li]([O]1CCCC1)([O]1CCCC1)
• 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: 12.3452 ± 0.0004 Å
• b: 12.739 ± 0.0004 Å
• c: 18.1766 ± 0.0005 Å
• α: 85.899 ± 0.002°
• β: 89.229 ± 0.002°
• γ: 63.881 ± 0.003°
• Cell volume: 2559.55 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0483
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No