Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121870
Preview
| Coordinates | 7121870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H17 I2 N2 P |
|---|---|
| Calculated formula | C9 H17 I2 N2 P |
| Title of publication | Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine. |
| Authors of publication | Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7645 - 7648 |
| a | 7.7774 ± 0.0005 Å |
| b | 8.4078 ± 0.0006 Å |
| c | 11.6208 ± 0.0008 Å |
| α | 84.753 ± 0.004° |
| β | 79.435 ± 0.003° |
| γ | 78.409 ± 0.003° |
| Cell volume | 730.6 ± 0.09 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121870.cif |
| 228053 | 2019-11-17 | cif/ Updating files of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 Original log message: Adding full bibliography for 7121868--7121873.cif. |
7121870.cif |
| 208596 | 2018-06-22 | cif/ Adding structures of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 via cif-deposit CGI script. |
7121870.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.