Information card for entry 4084963

Structure parameters

• Formula: C36 H55 Ir Ru2 Si
• Calculated formula: C36 H50 Ir Ru2 Si
• SMILES: [Si](c1ccccc1)([Ir]1234[c]5([c]3([c]4([c]1([c]25C)C)C)C)C)([Ru]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[Ru]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Trinuclear μ3-Silyl Complexes of Ruthenium and Group 9 Metals Having 3c-2e Interactions and Transformation of a μ3-Silyl Complex of Ru2Ir into μ-Silyl and μ3-Silylene Complexes
• Authors of publication: Nagaoka, Masahiro; Shima, Takanori; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7232
• a: 10.3501 ± 0.0005 Å
• b: 10.8439 ± 0.0004 Å
• c: 17.4951 ± 0.0007 Å
• α: 104.887 ± 0.0014°
• β: 96.243 ± 0.0017°
• γ: 106.866 ± 0.0017°
• Cell volume: 1780.02 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No