Information card for entry 4073607

Structure parameters

• Formula: C38 H30 F3 Ir N2 O3 S Si2
• Calculated formula: C38 H30 F3 Ir N2 O3 S Si2
• SMILES: [Ir]12([Si](c3cccc4ccc[n]1c34)(c1cccc3ccc[n]2c13)C)([Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.693 ± 0.0006 Å
• b: 36.906 ± 0.0002 Å
• c: 10.5513 ± 0.0006 Å
• α: 90°
• β: 109.456 ± 0.001°
• γ: 90°
• Cell volume: 3559 ± 0.3 ų
• Cell temperature: 115.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No