Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079163
Preview
| Coordinates | 4079163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dimethylgoldtolylpyridine |
|---|---|
| Formula | C14 H16 Au N |
| Calculated formula | C14 H16 Au N |
| SMILES | [Au]1(c2c(c3[n]1cccc3)ccc(c2)C)(C)C |
| Title of publication | Versatile Methods for Preparation of New Cyclometalated Gold(III) Complexes |
| Authors of publication | Langseth, Eirin; Görbitz, Carl Henrik; Heyn, Richard H.; Tilset, Mats |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 18 |
| Pages of publication | 6567 |
| a | 4.9545 ± 0.0003 Å |
| b | 8.5064 ± 0.0005 Å |
| c | 28.892 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1217.65 ± 0.13 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4079163.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4079163.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079163.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079163.cif |
| 72341 | 2013-01-21 | cif/ Adding structures of 4079163 via cif-deposit CGI script. |
4079163.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.