Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088134
Preview
| Coordinates | 4088134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13 I3 N3 O Rh |
|---|---|
| Calculated formula | C18 H13 I3 N3 O Rh |
| SMILES | I[Rh]1(I)(I)([n]2c3c(cc(c4n3c1c[n+]4C)c1ccccc1)ccc2)C#[O] |
| Title of publication | Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors |
| Authors of publication | Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 23 |
| Pages of publication | 5509 |
| a | 9.232 ± 0.004 Å |
| b | 11.27 ± 0.005 Å |
| c | 20.017 ± 0.008 Å |
| α | 90° |
| β | 101.23 ± 0.006° |
| γ | 90° |
| Cell volume | 2042.8 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0634 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237303 (current) | 2019-11-24 | cif/ Adding structures of 4088131, 4088132, 4088133, 4088134, 4088135 via cif-deposit CGI script. |
4088134.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.