Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7716211
Preview
| Coordinates | 7716211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cl2 Fe N6 O9 S6 |
|---|---|
| Calculated formula | C19 H16 Cl2 Fe N6 O9 S6 |
| SMILES | [Fe]123([n]4c(scc4)c4scc[n]14)([n]1c(scc1)c1scc[n]21)[n]1c(scc1)c1scc[n]31.Cl(=O)(=O)(=O)[O-].OC.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands. |
| Authors of publication | Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 25 |
| Pages of publication | 10511 - 10520 |
| a | 9.9078 ± 0.0001 Å |
| b | 21.8512 ± 0.0003 Å |
| c | 12.7772 ± 0.0002 Å |
| α | 90° |
| β | 90.013 ± 0.001° |
| γ | 90° |
| Cell volume | 2766.23 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 7 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| 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 |
|---|---|---|---|
| 293080 (current) | 2024-07-05 | cif/ Updating files of 7716207, 7716208, 7716209, 7716210, 7716211, 7716212, 7716213 Original log message: Adding full bibliography for 7716207--7716213.cif. |
7716211.cif |
| 292106 | 2024-05-30 | cif/ Adding structures of 7716207, 7716208, 7716209, 7716210, 7716211, 7716212, 7716213 via cif-deposit CGI script. |
7716211.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.