Information card for entry 7051276

Structure parameters

• Formula: C40 H34 I O2 P2 Rh
• Calculated formula: C40 H34 I O2 P2 Rh
• Title of publication: Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]
• Authors of publication: Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 437 - 445
• a: 12.054 ± 0.003 Å
• b: 24.13 ± 0.003 Å
• c: 12.213 ± 0.003 Å
• α: 90°
• β: 92.25 ± 0.02°
• γ: 90°
• Cell volume: 3549.6 ± 1.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 all reflections: 0.091
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 2.97
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No