Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016948
Preview
Coordinates | 7016948.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H12 Au Br N2 |
---|---|
Calculated formula | C11 H12 Au Br N2 |
SMILES | [Au](Br)=C1N(C=CN1C)Cc1ccccc1 |
Title of publication | Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes. |
Authors of publication | Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9899 - 9910 |
a | 6.5022 ± 0.0009 Å |
b | 10.6341 ± 0.0013 Å |
c | 17.425 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1204.9 ± 0.3 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7016948.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.