Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7042379
Preview
| Coordinates | 7042379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H48 F6 Ir N O6 P2 S4 |
|---|---|
| Calculated formula | C37 H48 F6 Ir N O6 P2 S4 |
| Title of publication | Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes. |
| Authors of publication | Doyle, Lauren E.; Piers, Warren E.; Bi, David W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 13 |
| Pages of publication | 4346 - 4354 |
| a | 8.095 ± 0.002 Å |
| b | 15.58 ± 0.003 Å |
| c | 18.098 ± 0.004 Å |
| α | 102.04 ± 0.03° |
| β | 90.11 ± 0.03° |
| γ | 92.16 ± 0.03° |
| Cell volume | 2230.6 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195083 (current) | 2017-04-05 | cif/ Updating files of 7042378, 7042379 Original log message: Adding full bibliography for 7042378--7042379.cif. |
7042379.cif |
| 194117 | 2017-03-09 | cif/ Adding structures of 7042378, 7042379 via cif-deposit CGI script. |
7042379.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.