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Information card for entry 4084023
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Coordinates | 4084023.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | dpg16/jcm17 |
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Formula | C15 H14 Au Cl2 N S2 |
Calculated formula | C15 H14 Au Cl2 N S2 |
SMILES | N(C1=[S][Au](Cl)(S1)Cl)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Experimental and Theoretical Study of Gold(III)-Catalyzed Hydration of Alkynes |
Authors of publication | Cordón, Jesús; Jiménez-Osés, Gonzalo; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3823 |
a | 17.5767 ± 0.0016 Å |
b | 12.0983 ± 0.0012 Å |
c | 8.1859 ± 0.0006 Å |
α | 90° |
β | 109.339 ± 0.005° |
γ | 90° |
Cell volume | 1642.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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