Information card for entry 4073610

Structure parameters

• Formula: C31 H51 Ir N2 O0.5 P3 Si
• Calculated formula: C31 H51 Ir N2 O0.5 P3 Si
• SMILES: O(CC)CC.[IrH]([Si](c1cccc2cccnc12)(c1cccc2cccnc12)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C
• 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: 17.379 ± 0.002 Å
• b: 12.243 ± 0.001 Å
• c: 17.594 ± 0.002 Å
• α: 90°
• β: 113.064 ± 0.001°
• γ: 90°
• Cell volume: 3444.3 ± 0.6 ų
• Cell temperature: 155.2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No