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Information card for entry 4068813
Preview
Coordinates | 4068813.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H37 Br Cl Ir O10 P2 |
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Calculated formula | C21 H37 Br Cl Ir O10 P2 |
SMILES | [Ir](Br)(Cl)([P](C)(C)C)([P](C)(C)C)(C#[O])[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C |
Title of publication | Oxidative Addition of Glycosylbromides totrans-Ir(PMe3)2(CO)Cl |
Authors of publication | Pelczar, Elizabeth M.; Munro-Leighton, Colleen; Gagné, Michel R. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 663 |
a | 11.7087 ± 0.0002 Å |
b | 13.337 ± 0.0002 Å |
c | 19.4696 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3040.35 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0865 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4068813.html
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