Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081318
Preview
Coordinates | 4081318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 Au Br N2 |
---|---|
Calculated formula | C13 H18 Au Br N2 |
SMILES | [Au](Br)=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 | 9.6791 ± 0.0011 Å |
b | 7.8592 ± 0.0009 Å |
c | 19.129 ± 0.002 Å |
α | 90° |
β | 100.293 ± 0.003° |
γ | 90° |
Cell volume | 1431.7 ± 0.3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4081318.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.