Information card for entry 7013083

Structure parameters

• Formula: C52 H61 B F4 Ir O2 P3
• Calculated formula: C52 H50 B F4 Ir O2 P3
• 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: 19.183 ± 0.004 Å
• b: 16.407 ± 0.003 Å
• c: 15.806 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974.7 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No