Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573881
Preview
| Coordinates | 1573881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H88 N4 Ni O2 S4 |
|---|---|
| Calculated formula | C64 H88 N4 Ni O2 S4 |
| Title of publication | Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry |
| Authors of publication | Luff, Martin Simon; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.3602 ± 0.0001 Å |
| b | 22.0224 ± 0.0002 Å |
| c | 13.6369 ± 0.0001 Å |
| α | 90° |
| β | 91.721 ± 0.001° |
| γ | 90° |
| Cell volume | 3109.94 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297685 (current) | 2025-02-12 | cif/ Adding structures of 1573879, 1573880, 1573881, 1573882, 1573883, 1573884, 1573885, 1573886, 1573887, 1573888, 1573889 via cif-deposit CGI script. |
1573881.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.