Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065886
Preview
Coordinates | 4065886.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Rh2(dippe)2(mu-S-C6H4OC6H5)(mu-H)], 6 |
---|---|
Formula | C40 H74 O P4 Rh2 S |
Calculated formula | C40 H74 O P4 Rh2 S |
SMILES | [Rh]123([H][Rh]41([S]2c1ccccc1Oc1ccccc1)[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 | 19.6405 ± 0.001 Å |
b | 15.3752 ± 0.0008 Å |
c | 29.8693 ± 0.0015 Å |
α | 90° |
β | 93.909 ± 0.001° |
γ | 90° |
Cell volume | 8998.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0557 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4065886.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.