Information card for entry 7013085

Structure parameters

• Formula: C49 H51 F3 Ir O4 P3 S
• Calculated formula: C49 H51 F3 Ir O4 P3 S
• Title of publication: The reactivity of an iridaphosphirene complex, [Ir{?C(But)P(Cy)}(CO)(PPh3)2], Cy = cyclohexyl, toward electrophiles
• Authors of publication: Brym, Markus; Jones, Cameron; Waugh, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2889
• a: 16.616 ± 0.003 Å
• b: 15.143 ± 0.003 Å
• c: 18.633 ± 0.004 Å
• α: 90°
• β: 97.3 ± 0.03°
• γ: 90°
• Cell volume: 4650.4 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No