Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1521290
Preview
| Coordinates | 1521290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I) |
|---|---|
| Formula | C37 H66 Au Cl3 P2 Ru |
| Calculated formula | C37 H66 Au Cl3 P2 Ru |
| SMILES | [Au](C#[Ru]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl)Cl |
| Title of publication | Carbide complexes as π-acceptor ligands |
| Authors of publication | Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5815 |
| a | 13.392 ± 0.002 Å |
| b | 17.683 ± 0.001 Å |
| c | 20.172 ± 0.002 Å |
| α | 90 ± 0.009° |
| β | 121.735 ± 0.011° |
| γ | 90 ± 0.007° |
| Cell volume | 4062.7 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.241 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1521290.cif |
| 170949 | 2015-12-09 | cif/ Updating files of 1521279, 1521280, 1521281, 1521282, 1521283, 1521284, 1521285, 1521286, 1521287, 1521288, 1521289, 1521290 Original log message: Adding full bibliography for 1521279--1521290.cif. |
1521290.cif |
| 141002 | 2015-07-08 | cif/ Adding structures of 1521279, 1521280, 1521281, 1521282, 1521283, 1521284, 1521285, 1521286, 1521287, 1521288, 1521289, 1521290 via cif-deposit CGI script. |
1521290.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.