Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564881
Preview
| Coordinates | 1564881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H28 Cu N8 O10 S4 |
|---|---|
| Calculated formula | C17 H28 Cu N8 O10 S4 |
| Title of publication | Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion |
| Authors of publication | Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 507 |
| Pages of publication | 119568 |
| a | 8.6675 ± 0.0013 Å |
| b | 12.442 ± 0.002 Å |
| c | 13.658 ± 0.002 Å |
| α | 70.8 ± 0.005° |
| β | 79.904 ± 0.005° |
| γ | 78.593 ± 0.005° |
| Cell volume | 1353.8 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269845 (current) | 2021-10-07 | cif/ Adding structures of 1564881 via cif-deposit CGI script. |
1564881.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.