Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512622
Preview
| Coordinates | 4512622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Piperazine-1,4-diium diiodide diiodine |
|---|---|
| Formula | C4 H12 I4 N2 |
| Calculated formula | C4 H12 I4 N2 |
| SMILES | [I-].II.[NH2+]1CC[NH2+]CC1.[I-] |
| Title of publication | Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion |
| Authors of publication | Bujak, Maciej |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1295 |
| a | 6.5186 ± 0.0003 Å |
| b | 7.495 ± 0.0003 Å |
| c | 8.1312 ± 0.0004 Å |
| α | 64.635 ± 0.004° |
| β | 68.06 ± 0.004° |
| γ | 69.507 ± 0.004° |
| Cell volume | 324.3 ± 0.03 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512622.cif |
| 134755 | 2015-04-04 | cif/ Updating files of 4512619, 4512620, 4512621, 4512622 Original log message: Adding full bibliography for 4512619--4512622.cif. |
4512622.cif |
| 130362 | 2015-02-04 | cif/ Adding structures of 4512619, 4512620, 4512621, 4512622 via cif-deposit CGI script. |
4512622.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.