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Information card for entry 4508609
Preview
Coordinates | 4508609.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H14 Au Cl2 N3 O3 S |
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Calculated formula | C12 H14 Au Cl2 N3 O3 S |
SMILES | C12=[Au](Cl)(Cl)[n]3c(CN2C=CN1CCCS(=O)(=O)[O-])cccc3 |
Title of publication | Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones |
Authors of publication | Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio |
Journal of publication | ACS Catalysis |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 3086 |
a | 9.717 ± 0.0001 Å |
b | 12.6841 ± 0.0001 Å |
c | 13.5632 ± 0.0002 Å |
α | 90° |
β | 108.02 ± 0.001° |
γ | 90° |
Cell volume | 1589.68 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4508609.html
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