Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083140
Preview
Coordinates | 4083140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H33 Cl F6 P Rh S2 |
---|---|
Calculated formula | C30 H33 Cl F6 P Rh S2 |
SMILES | c1(ccccc1)[S]1Cc2ccccc2C[S](c2ccccc2)[Rh]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol |
Authors of publication | Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2535 |
a | 9.9269 ± 0.0011 Å |
b | 11.2556 ± 0.0012 Å |
c | 15.0062 ± 0.0016 Å |
α | 107.804 ± 0.002° |
β | 106.454 ± 0.002° |
γ | 96.941 ± 0.002° |
Cell volume | 1491 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4083140.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.