Information card for entry 4065138

Structure parameters

• Formula: C52 H57 Cl N2 P Rh
• Calculated formula: C52 H57 Cl N2 P Rh
• SMILES: [Rh](=Cc1ccccc1)(Cl)(=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of a Square-Planar Rhodium Alkylidene N-Heterocyclic Carbene Complex and Its Reactivity Toward Alkenes
• Authors of publication: Palacios, Laura; Miao, Xiaowei; Di Giuseppe, Andrea; Pascal, Simon; Cunchillos, Carmen; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Lahoz, Fernando J.; Dixneuf, Pierre H.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5208
• a: 11.618 ± 0.001 Å
• b: 23.403 ± 0.001 Å
• c: 16.266 ± 0.001 Å
• α: 90°
• β: 91.091 ± 0.001°
• γ: 90°
• Cell volume: 4421.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7378 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No