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Information card for entry 4065138
Preview
Coordinates | 4065138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H57 Cl N2 P Rh |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065138.html
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