Information card for entry 4071227

Structure parameters

• Formula: C20 H49 Cl Ir O P3 Si
• Calculated formula: C20 H49 Cl Ir O P3 Si
• SMILES: [IrH]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([Si](Cl)(C)C)/C=C(/C(=C)C)C.O=C(C)C
• Title of publication: Silapentadienyl−Iridium−Phosphine Chemistry(1)
• Authors of publication: Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2436
• a: 9.3183 ± 0.0007 Å
• b: 18.2326 ± 0.0015 Å
• c: 17.2933 ± 0.0015 Å
• α: 90°
• β: 104.074 ± 0.004°
• γ: 90°
• Cell volume: 2849.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No