Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243422
Preview
| Coordinates | 2243422.cif |
|---|---|
| Structure factors | 2243422.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[μ~2~-2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane]tetra-μ-iodido-tetracopper(I)] |
|---|---|
| Formula | C16 H24 Cu4 I4 N2 S6 |
| Calculated formula | C16 H24 Cu4 I4 N2 S6 |
| Title of publication | Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane |
| Authors of publication | Assoumatine, Tokouré; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| Pages of publication | 984 - 989 |
| a | 7.7713 ± 0.0008 Å |
| b | 8.9456 ± 0.0009 Å |
| c | 11.2464 ± 0.0014 Å |
| α | 106.839 ± 0.013° |
| β | 104.644 ± 0.013° |
| γ | 93.412 ± 0.012° |
| Cell volume | 716.53 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.176 |
| Weighted residual factors for all reflections included in the refinement | 0.1834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252979 (current) | 2020-06-06 | cif/ hkl/ Adding structures of 2243421, 2243422 via cif-deposit CGI script. |
2243422.cif 2243422.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.