Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573880
Preview
Coordinates | 1573880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H12 Cl2 N2 S2 |
---|---|
Calculated formula | C11 H12 Cl2 N2 S2 |
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 | 14.5441 ± 0.0002 Å |
b | 6.8348 ± 0.0001 Å |
c | 13.3132 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1323.41 ± 0.03 Å3 |
Cell temperature | 201 ± 2 K |
Ambient diffraction temperature | 201 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0572 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1787 |
Weighted residual factors for all reflections included in the refinement | 0.1798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
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. |
1573880.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.