Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7243166
Preview
| Coordinates | 7243166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 Cl2 Cu O2 S2 |
|---|---|
| Calculated formula | C4 H12 Cl2 Cu O2 S2 |
| Title of publication | Crystal engineering with copper and melamine |
| Authors of publication | Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 39 |
| Pages of publication | 23943 - 23947 |
| a | 7.9376 ± 0.0003 Å |
| b | 11.4925 ± 0.0004 Å |
| c | 11.3612 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1036.4 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0486 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267366 (current) | 2021-07-08 | cif/ Adding structures of 7243166, 7243167 via cif-deposit CGI script. |
7243166.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.