Information card for entry 4074972

Structure parameters

• Formula: C28 H41 F5 Ir N O2 P2
• Calculated formula: C28 H41 F5 Ir N O2 P2
• Title of publication: Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.
• Authors of publication: Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1664 - 1675
• a: 7.9192 ± 0.0007 Å
• b: 13.0478 ± 0.0011 Å
• c: 15.4852 ± 0.0014 Å
• α: 87.704 ± 0.003°
• β: 76.436 ± 0.003°
• γ: 86.539 ± 0.003°
• Cell volume: 1552 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No