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Information card for entry 4081991
Preview
Coordinates | 4081991.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H32 P2 S2 |
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Calculated formula | C18 H32 P2 S2 |
SMILES | P(=S)(c1cc(P(=S)(C(C)C)C(C)C)ccc1)(C(C)C)C(C)C |
Title of publication | CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands |
Authors of publication | Montag, Michael; Efremenko, Irena; Leitus, Gregory; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 7163 |
a | 7.399 ± 0.0015 Å |
b | 22.164 ± 0.004 Å |
c | 13.295 ± 0.003 Å |
α | 90° |
β | 102.82 ± 0.03° |
γ | 90° |
Cell volume | 2125.9 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1013 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1396 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4081991.html
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