Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240029
Preview
| Coordinates | 2240029.cif |
|---|---|
| Structure factors | 2240029.hkl |
| Original IUCr paper | HTML |
| Common name | trimethylposphinesulfidecopper(I) thiocyanate |
|---|---|
| Chemical name | Poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)] |
| Formula | C4 H9 Cu N P S2 |
| Calculated formula | C4 H9 Cu N P S2 |
| Title of publication | Crystal structure of poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)] |
| Authors of publication | Corfield, Peter W. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 281 - 285 |
| a | 5.793 ± 0.003 Å |
| b | 14.091 ± 0.003 Å |
| c | 22.064 ± 0.007 Å |
| α | 90° |
| β | 98.945 ± 0.017° |
| γ | 90° |
| Cell volume | 1779.2 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240029.cif 2240029.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240029.cif 2240029.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2240029.cif 2240029.hkl |
| 124558 | 2014-10-05 | cif/ hkl/ Adding structures of 2240029 via cif-deposit CGI script. |
2240029.cif 2240029.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.