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Information card for entry 4064290
Preview
Coordinates | 4064290.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 Br F11 Ir O2 |
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Calculated formula | C18 H15 Br F11 Ir O2 |
SMILES | [Ir]1234(Br)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F |
Title of publication | Unexpected Synthesis of a Perfluoroacyl Complex, Cp*Ir(CO)(COC6F11)Br, by Direct Fluoroalkylation of a CO Ligand, and Elimination of Perfluorocyclohexene by Activation of a γ-C−F Bond |
Authors of publication | Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 6 |
Pages of publication | 1744 |
a | 13.1414 ± 0.0009 Å |
b | 18.0238 ± 0.0013 Å |
c | 18.1292 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4294 ± 0.5 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0212 |
Weighted residual factors for significantly intense reflections | 0.0534 |
Weighted residual factors for all reflections included in the refinement | 0.0571 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4064290.html
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