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Information card for entry 4089513
Preview
Coordinates | 4089513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 Au N3 O2 |
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Calculated formula | C18 H18 Au N3 O2 |
SMILES | [Au](OC(=O)C)c1n([n+](nc1c1ccc(cc1)C)c1ccccc1)C |
Title of publication | Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties |
Authors of publication | Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 11 |
Pages of publication | 3376 |
a | 7.3069 ± 0.0001 Å |
b | 19.8442 ± 0.0003 Å |
c | 23.0312 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3339.51 ± 0.08 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0261 |
Residual factor for significantly intense reflections | 0.0167 |
Weighted residual factors for significantly intense reflections | 0.0301 |
Weighted residual factors for all reflections included in the refinement | 0.0322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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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