Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240644
Preview
| Coordinates | 2240644.cif |
|---|---|
| Structure factors | 2240644.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[2-(Diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II) |
|---|---|
| Formula | C10 H21 Cl4 Cu N3 |
| Calculated formula | C10 H21 Cl4 Cu N3 |
| SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+](CC)(CCn1c[n+](C)cc1)CC |
| Title of publication | Crystal structure of 1-[2-(diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II) |
| Authors of publication | Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m110 - m111 |
| a | 17.0041 ± 0.0008 Å |
| b | 7.1161 ± 0.0006 Å |
| c | 14.4143 ± 0.0007 Å |
| α | 90° |
| β | 112.956 ± 0.006° |
| γ | 90° |
| Cell volume | 1606.04 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240644.cif 2240644.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240644.cif 2240644.hkl |
| 136434 | 2015-05-13 | cif/ hkl/ Adding structures of 2240644 via cif-deposit CGI script. |
2240644.cif 2240644.hkl |
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.