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Information card for entry 1545469
Preview
Coordinates | 1545469.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+](nn1C)c1ccccc1 |
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 | 6.5022 ± 0.0003 Å |
b | 7.7532 ± 0.0003 Å |
c | 11.0346 ± 0.0006 Å |
α | 77.138 ± 0.003° |
β | 82.169 ± 0.003° |
γ | 83.193 ± 0.002° |
Cell volume | 535.03 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.067 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0488 |
Weighted residual factors for all reflections included in the refinement | 0.0541 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
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/1545469.html
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