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Information card for entry 4080964
Preview
Coordinates | 4080964.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 Au Cl N2 |
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Calculated formula | C20 H24 Au Cl N2 |
SMILES | [Au](Cl)=C1c2ccccc2N(C)N1c1c(cccc1C(C)C)C(C)C |
Title of publication | Indazolin-s-ylidene‒N-Heterocyclic Carbene Complexes of Rhodium, Palladium, and Gold: Synthesis, Characterization, and Catalytic Hydration of Alkynes |
Authors of publication | Zhou, Yang; Liu, Qingjie; Lv, Weifeng; Pang, Qingyu; Ben, Rong; Qian, Yong; Zhao, Jing |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3753 |
a | 10.2482 ± 0.0002 Å |
b | 12.3075 ± 0.0003 Å |
c | 16.3758 ± 0.0011 Å |
α | 90° |
β | 106.866 ± 0.008° |
γ | 90° |
Cell volume | 1976.63 ± 0.17 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1492 |
Weighted residual factors for all reflections included in the refinement | 0.1753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.429 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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