Information card for entry 7051277

Structure parameters

• Formula: C45 H36 I O2 P2 Rh
• Calculated formula: C45 H36 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: 17.887 ± 0.005 Å
• b: 18.538 ± 0.005 Å
• c: 11.515 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3818.2 ± 1.8 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.027
• Goodness-of-fit parameter for all reflections: 1.408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No