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Information card for entry 7035907
Preview
Coordinates | 7035907.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H15 F4 Ir O |
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Calculated formula | C13 H15 F4 Ir O |
SMILES | [Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])=C(F)C(F)(F)F |
Title of publication | Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond. |
Authors of publication | Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 45 |
Pages of publication | 19528 - 19542 |
a | 8.418 ± 0.002 Å |
b | 12.121 ± 0.003 Å |
c | 14.427 ± 0.004 Å |
α | 103.242 ± 0.003° |
β | 97.509 ± 0.003° |
γ | 95.759 ± 0.003° |
Cell volume | 1407.6 ± 0.6 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 | 0.0707 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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