Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056215
Preview
| Coordinates | 7056215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 Cl2 Fe N6 O2 |
|---|---|
| Calculated formula | C30 H25 Cl2 Fe N6 O2 |
| SMILES | [Fe]1234(Oc5ccc(Cl)cc5C(=[N]2CC[NH]3CC[N]4=C(c2ccccc2)c2cc(Cl)ccc2O1)c1ccccc1)N=N#N |
| Title of publication | Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones |
| Authors of publication | Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 9.6274 ± 0.0003 Å |
| b | 15.2106 ± 0.0003 Å |
| c | 19.5026 ± 0.0007 Å |
| α | 90° |
| β | 97.639 ± 0.003° |
| γ | 90° |
| Cell volume | 2830.59 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196896 (current) | 2017-05-23 | cif/ Adding structures of 7056210, 7056211, 7056212, 7056213, 7056214, 7056215, 7056216, 7056217, 7056218 via cif-deposit CGI script. |
7056215.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.