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Information card for entry 4070211
Preview
Coordinates | 4070211.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H25 F5 Ir N |
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Calculated formula | C16 H25 F5 Ir N |
SMILES | [Ir]1234(NC(C)(C)C)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C(F)(F)C(F)(F)F |
Title of publication | A Monomeric Perfluoroalkyl Iridium(III) Amido Complex with an Ir═N Double Bond and Its Reactions To Activate sp3Carbon−Hydrogen Bonds at Room Temperature |
Authors of publication | Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4646 |
a | 7.9536 ± 0.0002 Å |
b | 9.1043 ± 0.0002 Å |
c | 13.5083 ± 0.0003 Å |
α | 109.363 ± 0.002° |
β | 98.482 ± 0.002° |
γ | 100.831 ± 0.002° |
Cell volume | 882.86 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0274 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0546 |
Weighted residual factors for all reflections included in the refinement | 0.056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070211.html
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