Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081319
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4081319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 Au I N2 |
---|---|
Calculated formula | C13 H18 Au I N2 |
SMILES | [Au](I)=C1N(c2ccccc2N1C(C)C)C(C)C |
Title of publication | Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III) |
Authors of publication | Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4591 |
a | 10.5679 ± 0.0014 Å |
b | 10.6108 ± 0.0015 Å |
c | 13.294 ± 0.0018 Å |
α | 90° |
β | 93.197 ± 0.003° |
γ | 90° |
Cell volume | 1488.4 ± 0.4 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081319.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.