Information card for entry 4073588

Structure parameters

• Formula: C16 H44 Ir P3 Si
• Calculated formula: C16 H44 Ir P3 Si
• SMILES: [IrH]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([Si](C=C(C)C)(C)C)C
• Title of publication: Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1
• Authors of publication: Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 3904
• a: 10.0467 ± 0.0008 Å
• b: 15.3629 ± 0.0012 Å
• c: 15.5878 ± 0.0013 Å
• α: 90°
• β: 101.615 ± 0.002°
• γ: 90°
• Cell volume: 2356.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No