Information card for entry 4073608

Structure parameters

• Formula: C42 H36 F3 Ir N4 O3 S Si2
• Calculated formula: C42 H36 F3 Ir N4 O3 S Si2
• SMILES: [Ir]12([Si](c3cccc4ccc[n]1c34)(c1cccc3ccc[n]2c13)C)([Si](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F
• 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: 11.4977 ± 0.0005 Å
• b: 12.2351 ± 0.0006 Å
• c: 14.9903 ± 0.0007 Å
• α: 85.88 ± 0.001°
• β: 78.42 ± 0.001°
• γ: 75.287 ± 0.001°
• Cell volume: 1997.62 ± 0.16 ų
• Cell temperature: 159.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.451
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No