Information card for entry 4078800

Structure parameters

• Formula: C28 H54 Ir Si2 Ta
• Calculated formula: C28 H54 Ir Si2 Ta
• SMILES: [IrH2]1234([Ta]5678([c]9([c]8([c]7([c]6([c]59C)C)C)C)C)(C[Si](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: 10.4698 ± 0.0007 Å
• b: 17.0104 ± 0.0009 Å
• c: 18.3434 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3266.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No