Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085133
Preview
| Coordinates | 4085133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H24 Au Cl N2 |
|---|---|
| Calculated formula | C33 H24 Au Cl N2 |
| SMILES | [Au](Cl)=C1N(C=CN1C1c2ccccc2C=Cc2ccccc12)C1c2ccccc2C=Cc2ccccc12 |
| Title of publication | Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs) |
| Authors of publication | Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 263 |
| a | 13.0992 ± 0.0009 Å |
| b | 19.2568 ± 0.0013 Å |
| c | 20.4869 ± 0.0015 Å |
| α | 90° |
| β | 93.1599 ± 0.0017° |
| γ | 90° |
| Cell volume | 5159.9 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178740 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51. |
4085133.cif |
| 130812 | 2015-02-04 | cif/ Updating files of 4085130, 4085131, 4085132, 4085133, 4085134, 4085135, 4085136, 4085137, 4085138, 4085139 Original log message: Adding full bibliography for 4085130--4085139.cif. |
4085133.cif |
| 129253 | 2014-12-30 | cif/ Adding structures of 4085130, 4085131, 4085132, 4085133, 4085134, 4085135, 4085136, 4085137, 4085138, 4085139 via cif-deposit CGI script. |
4085133.cif |
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.