Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558656
Preview
| Coordinates | 1558656.cif |
|---|---|
| Structure factors | 1558656.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]] |
|---|---|
| Formula | C8 H12 Cu3 N5 |
| Calculated formula | C8 H12 Cu3 N5 |
| Title of publication | Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid |
| Authors of publication | Corfield, Peter W. R.; Stavola, Thomas James |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | x200968 |
| a | 12.6825 ± 0.0008 Å |
| b | 8.3355 ± 0.0005 Å |
| c | 7.2205 ± 0.0005 Å |
| α | 90° |
| β | 120.444 ± 0.003° |
| γ | 90° |
| Cell volume | 658.07 ± 0.08 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254476 (current) | 2020-07-22 | cif/ hkl/ Adding structures of 1558656 via cif-deposit CGI script. |
1558656.cif 1558656.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.