Information card for entry 4073765

Structure parameters

• Formula: C34 H42 Os2
• Calculated formula: C34 H41 Os2
• SMILES: [OsH2]123456([Os]789%10%11%12%13([C]1(c1ccccc1)=[CH]7[C]18=[C]29C=CC=C1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)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: 10.9901 ± 0.0004 Å
• b: 14.2683 ± 0.0009 Å
• c: 19.1063 ± 0.0013 Å
• α: 98.777 ± 0.002°
• β: 90.598 ± 0.001°
• γ: 95.414 ± 0.004°
• Cell volume: 2946.8 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No