Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7703412
Preview
| Coordinates | 7703412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 I Ir N2 S3 |
|---|---|
| Calculated formula | C22.96 H24 I Ir N2 S3 |
| Title of publication | Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases. |
| Authors of publication | Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 7 |
| Pages of publication | 2264 - 2272 |
| a | 24.425 ± 0.002 Å |
| b | 9.2985 ± 0.0008 Å |
| c | 23.526 ± 0.002 Å |
| α | 90° |
| β | 113.778 ± 0.004° |
| γ | 90° |
| Cell volume | 4889.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248967 (current) | 2020-03-05 | cif/ Updating files of 7703409, 7703410, 7703411, 7703412 Original log message: Adding full bibliography for 7703409--7703412.cif. |
7703412.cif |
| 247403 | 2020-01-31 | cif/ Adding structures of 7703409, 7703410, 7703411, 7703412 via cif-deposit CGI script. |
7703412.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.