Information card for entry 4078801

Structure parameters

• Formula: C24 H44 Ir O Si Ta
• Calculated formula: C24 H18.5 Ir O Si Ta
• SMILES: [Ir]1234([Ta]5678(=O)([c]9([c]5([c]6([c]7([c]89C)C)C)C)C)C[Si](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Early–Late Heterobimetallic Complexes with a Ta–Ir Multiple Bond: Bimetallic Oxidative Additions of C–H, N–H, and O–H Bonds
• Authors of publication: Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4658
• a: 17.873 ± 0.0007 Å
• b: 11.1005 ± 0.0005 Å
• c: 27.0007 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5356.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No