Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4066619
Preview
| Coordinates | 4066619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in manuscript 3a |
|---|---|
| Formula | C27 H29 Au N2 |
| Calculated formula | C27 H29 Au N2 |
| SMILES | [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1 |
| Title of publication | Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis |
| Authors of publication | Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4448 - 4458 |
| a | 9.9083 ± 0.0002 Å |
| b | 15.5827 ± 0.0003 Å |
| c | 16.2631 ± 0.0003 Å |
| α | 78.847 ± 0.001° |
| β | 83.689 ± 0.001° |
| γ | 76.998 ± 0.001° |
| Cell volume | 2394.61 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.2021 |
| Weighted residual factors for all reflections included in the refinement | 0.251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269227 (current) | 2021-09-21 | cif/4/06/66/ Updated bibliographic information in entries 4066608-4066624. |
4066619.cif |
| 178558 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/66. |
4066619.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066619.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066619.cif |
| 33940 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066608, 4066609, 4066610, 4066611, 4066612, 4066613, 4066614, 4066615, 4066616, 4066617, 4066618, 4066619, 4066620, 4066621, 4066622, 4066623, 4066624 via cif-deposit CGI script. |
4066619.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.