Information card for entry 7033409

Structure parameters

• Formula: C43 H40 Cl Ir O P2 Si
• Calculated formula: C43 H40 Cl Ir O P2 Si
• SMILES: [IrH](Cl)([SiH3])([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].c1ccccc1
• Title of publication: Oxidative addition of SiH4 and GeH4 to Ir(PPh3)2(CO)Cl: structural and spectroscopic evidence for the formation of products derived from cis oxidative addition.
• Authors of publication: Zuzek, Ashley A.; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2801 - 2808
• a: 11.4205 ± 0.0015 Å
• b: 17.117 ± 0.002 Å
• c: 19.045 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No