Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7041972
Preview
| Coordinates | 7041972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H68 Au B N4 |
|---|---|
| Calculated formula | C66 H68 Au B N4 |
| SMILES | [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method. |
| Authors of publication | Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 12 |
| Pages of publication | 3809 - 3811 |
| a | 11.79038 ± 0.00016 Å |
| b | 13.8657 ± 0.0002 Å |
| c | 18.2438 ± 0.0003 Å |
| α | 103.527 ± 0.0012° |
| β | 93.6234 ± 0.0011° |
| γ | 92.6597 ± 0.0011° |
| Cell volume | 2888.24 ± 0.08 Å3 |
| Cell temperature | 274 K |
| Ambient diffraction temperature | 274 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195118 (current) | 2017-04-05 | cif/ Updating files of 7041969, 7041970, 7041971, 7041972, 7041973, 7041974 Original log message: Adding full bibliography for 7041969--7041974.cif. |
7041972.cif |
| 191923 | 2017-02-09 | cif/ Adding structures of 7041969, 7041970, 7041971, 7041972, 7041973, 7041974 via cif-deposit CGI script. |
7041972.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.