Information card for entry 7022726

Structure parameters

• Formula: C58 H50 Cl4 Ir O P3 Si
• Calculated formula: C58 H50 Cl4 Ir O P3 Si
• SMILES: [Ir]12([P](c3c([Si]2(C)c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].ClCCl.ClCCl
• Title of publication: Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.
• Authors of publication: Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4663 - 4669
• a: 12.02 ± 0.002 Å
• b: 12.852 ± 0.003 Å
• c: 17.695 ± 0.003 Å
• α: 85.644 ± 0.004°
• β: 74.36 ± 0.004°
• γ: 90.106 ± 0.005°
• Cell volume: 2624 ± 0.9 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No