Information card for entry 4073609

Structure parameters

• Formula: C29 H44 Cl3 Ir N2 P3 Si
• Calculated formula: C29 H44 Cl3 Ir N2 P3 Si
• SMILES: [Ir]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Si](c2cccc3ccc[n]1c23)(c1cccc2cccnc12)C.[Cl-].ClCCl
• Title of publication: Silyl Derivatives of [Bis(8-quinolyl)methylsilyl]iridium(III) Complexes: Catalytic Redistribution of Arylsilanes and Dehydrogenative Arene Silylation
• Authors of publication: Sangtrirutnugul, Preeyanuch; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5557
• a: 11.3836 ± 0.0008 Å
• b: 12.8864 ± 0.0009 Å
• c: 13.3337 ± 0.001 Å
• α: 87.398 ± 0.001°
• β: 76.661 ± 0.001°
• γ: 66.764 ± 0.001°
• Cell volume: 1746.5 ± 0.2 ų
• Cell temperature: 127.2 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: 0.0417
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.754
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No