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Information card for entry 4065884
Preview
Coordinates | 4065884.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Rh2(dippe)2(u-H)(u-S-4,6-Me2C12H7), 6 |
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Formula | C42 H78 P4 Rh2 S |
Calculated formula | C42 H78 P4 Rh2 S |
SMILES | [Rh]123([Rh]4([H]1)([S]2c1c(cccc1c1cccc(c1)C)C)[P](CC[P]4(C(C)C)C(C)C)(C(C)C)C(C)C)[P](CC[P]3(C(C)C)C(C)C)(C(C)C)C(C)C |
Title of publication | Carbon−Sulfur Bond Activation of Dibenzothiophenes and Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]† |
Authors of publication | Oster, Stephen S.; Grochowski, Matthew R.; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4923 |
a | 8.9137 ± 0.0016 Å |
b | 24.81 ± 0.004 Å |
c | 20.927 ± 0.004 Å |
α | 90° |
β | 100.589 ± 0.003° |
γ | 90° |
Cell volume | 4549.2 ± 1.4 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1469 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
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/4065884.html
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Users of the data should acknowledge the original authors of the
structural data.