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Information card for entry 4083142
Preview
Coordinates | 4083142.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H33 Cl F6 Ir P S2 |
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Calculated formula | C30 H33 Cl F6 Ir P S2 |
SMILES | c1(ccccc1)[S]1Cc2ccccc2C[S](c2ccccc2)[Ir]23451([c]1([c]5([c]4([c]3([c]21C)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 | 8.6474 ± 0.001 Å |
b | 11.8078 ± 0.0013 Å |
c | 16.7039 ± 0.0019 Å |
α | 107.037 ± 0.002° |
β | 99.636 ± 0.002° |
γ | 103.504 ± 0.002° |
Cell volume | 1533.8 ± 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 | 0.0204 |
Residual factor for significantly intense reflections | 0.0195 |
Weighted residual factors for significantly intense reflections | 0.0439 |
Weighted residual factors for all reflections included in the refinement | 0.0443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/4083142.html
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Users of the data should acknowledge the original authors of the
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