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Information card for entry 4122787
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Coordinates | 4122787.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (POCOP)Rh(Ph)(SPh) |
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Formula | C30 H41 O2 P2 Rh S |
Calculated formula | C30 H41 O2 P2 Rh S |
SMILES | [Rh]12([P](Oc3cccc(O[P]1(C(C)C)C(C)C)c23)(C(C)C)C(C)C)(Sc1ccccc1)c1ccccc1 |
Title of publication | A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols. |
Authors of publication | Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 42 |
Pages of publication | 14772 - 14779 |
a | 11.492 ± 0.003 Å |
b | 32.514 ± 0.008 Å |
c | 16.267 ± 0.004 Å |
α | 90° |
β | 92.333 ± 0.003° |
γ | 90° |
Cell volume | 6073 ± 3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.784 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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