Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7220918
Preview
| Coordinates | 7220918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(coe)2] |
|---|---|
| Formula | C49 H56 Ir N3 P2 S2 |
| Calculated formula | C49 H56 Ir N3 P2 S2 |
| Title of publication | Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand |
| Authors of publication | Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 12.944 ± 0.003 Å |
| b | 17.317 ± 0.003 Å |
| c | 20.834 ± 0.004 Å |
| α | 90° |
| β | 105.251 ± 0.011° |
| γ | 90° |
| Cell volume | 4505.5 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1906 |
| Residual factor for significantly intense reflections | 0.085 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.2309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139796 (current) | 2015-06-30 | cif/ Adding structures of 7220918, 7220919, 7220920, 7220921, 7220922 via cif-deposit CGI script. |
7220918.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.