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Information card for entry 4081422
Preview
Coordinates | 4081422.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H36 Au Cl2 F5 N2 |
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Calculated formula | C33 H36 Au Cl2 F5 N2 |
SMILES | [Au](Cl)(=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)(Cl)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Thermal versus Photochemical Reductive Elimination of Aryl Chlorides from NHC‒Gold Complexes |
Authors of publication | Ghidiu, Michael J.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5026 |
a | 31.02 ± 0.02 Å |
b | 15.281 ± 0.01 Å |
c | 16.849 ± 0.011 Å |
α | 90° |
β | 91.92 ± 0.013° |
γ | 90° |
Cell volume | 7982 ± 9 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1034 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081422.html
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