Information card for entry 7702663

Structure parameters

• Formula: C38 H41 F6 Ir O3 P2
• Calculated formula: C38 H41 F6 Ir O3 P2
• Title of publication: Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand
• Authors of publication: Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 195
• a: 15.06 ± 0.009 Å
• b: 13.36 ± 0.008 Å
• c: 18.705 ± 0.009 Å
• α: 90°
• β: 90.84 ± 0.04°
• γ: 90°
• Cell volume: 3763 ± 4 ų
• Cell temperature: 300.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No