Information card for entry 4069724

Structure parameters

• Formula: C45 H61 Cl Ir N2 P Si
• Calculated formula: C45 H61 Cl Ir N2 P Si
• SMILES: [IrH]1(Cl)([P](C(C)C)(C(C)C)C(C)C)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C
• Title of publication: Synthesis and Reactivity of Iridium and Rhodium Silyl Complexes Supported by a Bipyridine Ligand
• Authors of publication: McBee, Jennifer L.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5072
• a: 12.8733 ± 0.0015 Å
• b: 13.0729 ± 0.0016 Å
• c: 15.3225 ± 0.0018 Å
• α: 82.509 ± 0.002°
• β: 67.561 ± 0.002°
• γ: 63.133 ± 0.002°
• Cell volume: 2123.4 ± 0.4 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 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 all reflections: 0.024
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No