Information card for entry 4083837

Structure parameters

• Formula: C37 H40 Ir N2 P Si
• Calculated formula: C37 H40 Ir N2 P Si
• SMILES: [IrH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([Si](CC)(CC)CC)n2c3ccccc3cc2c2[n]1cccc2
• Title of publication: Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand
• Authors of publication: Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4471
• a: 10.979 ± 0.001 Å
• b: 15.36 ± 0.001 Å
• c: 19.484 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3285.7 ± 0.5 ų
• Cell temperature: 143.2 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No