Information card for entry 4073764

Structure parameters

• Formula: C35 H44 Os Ru
• Calculated formula: C35 H44 Os Ru
• SMILES: [OsH2]123456([Ru]789%10%11%12%13([C]%141=[C]7(C=CC=C%14)[CH]8=[C]29c1ccccc1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)CC)[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: 14.3301 ± 0.0006 Å
• b: 11.061 ± 0.0003 Å
• c: 19.2268 ± 0.0005 Å
• α: 90.338 ± 0.001°
• β: 97.714 ± 0.002°
• γ: 95.387 ± 0.001°
• Cell volume: 3006.1 ± 0.17 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No