Information card for entry 4073762

Structure parameters

• Formula: C49 H56 Os Ru
• Calculated formula: C49 H56 Os Ru
• SMILES: [Os]1234567([Ru]89%10%11%12([H]7)([C]2(=[CH]%12c2ccccc2)c2ccccc2)[c]2([c]8([c]9([c]%10([c]%112CC)C)C)C)C)([CH](c2ccccc2)=[CH]1c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Reaction of a Heterobimetallic Polyhydrido Cluster, [Cp*Ru(μ-H)4OsCp*] (Cp* = η5-C5Me5), with Diphenylacetylene. Regioselective C−H Bond Activation at the Osmium Center
• Authors of publication: Shima, Takanori; Ichikawa, Toshiaki; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6329
• a: 11.391 ± 0.004 Å
• b: 17.621 ± 0.005 Å
• c: 11.303 ± 0.0016 Å
• α: 98.789 ± 0.009°
• β: 112.548 ± 0.016°
• γ: 76.785 ± 0.019°
• Cell volume: 2034.5 ± 1 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No