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Information card for entry 4079851
Preview
Coordinates | 4079851.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H16 Au Cl3 N2 |
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Calculated formula | C13 H16 Au Cl3 N2 |
SMILES | [Au](=C1N(C=CN1C(C)C)c1ccccc1)Cl.C(Cl)Cl |
Title of publication | Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes |
Authors of publication | Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 1 |
Pages of publication | 164 |
a | 8.0203 ± 0.0004 Å |
b | 9.4539 ± 0.0005 Å |
c | 10.6332 ± 0.0007 Å |
α | 105.11 ± 0.003° |
β | 100.168 ± 0.004° |
γ | 92.556 ± 0.003° |
Cell volume | 762.65 ± 0.08 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.0554 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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