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Information card for entry 1545470
Preview
Coordinates | 1545470.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H9 Au Cl N3 |
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Calculated formula | C9 H9 Au Cl N3 |
SMILES | [Au](Cl)c1c[n+](nn1c1ccccc1)C |
Title of publication | Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes. |
Authors of publication | Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 4 |
Pages of publication | 822 - 825 |
a | 11.6678 ± 0.0012 Å |
b | 7.5775 ± 0.0008 Å |
c | 12.8031 ± 0.0013 Å |
α | 90° |
β | 115.593 ± 0.004° |
γ | 90° |
Cell volume | 1020.9 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.028 |
Residual factor for significantly intense reflections | 0.0175 |
Weighted residual factors for significantly intense reflections | 0.0396 |
Weighted residual factors for all reflections included in the refinement | 0.0442 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1545470.html
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