Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7020721
Preview
| Coordinates | 7020721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H36 Cl2 Fe2 N8 O5 |
|---|---|
| Calculated formula | C39 H36 Cl2 Fe2 N8 O5 |
| SMILES | CO.c1(ccncc1)C1=N[N]2=C(c3ccccc3)c3cccc[n]3[Fe]32(O1)(Cl)[O](C)[Fe]12([N](N=C(c4ccncc4)O1)=C(c1ccccc1)c1cccc[n]21)(Cl)[O]3C |
| Title of publication | Synthesis, structure, magnetic properties and theoretical calculations of methoxy bridged dinuclear iron(iii) complex with hydrazone based O,N,N-donor ligand. |
| Authors of publication | Bikas, Rahman; Hosseini-Monfared, Hassan; Zoppellaro, Giorgio; Herchel, Radovan; Tucek, Jiri; Owczarzak, Anita M.; Kubicki, Maciej; Zboril, Radek |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 8 |
| Pages of publication | 2803 - 2812 |
| a | 9.9949 ± 0.0003 Å |
| b | 10.7974 ± 0.0003 Å |
| c | 19.3657 ± 0.0005 Å |
| α | 91.921 ± 0.002° |
| β | 104.19 ± 0.002° |
| γ | 97.509 ± 0.002° |
| Cell volume | 2004.1 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0772 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1485 |
| Weighted residual factors for all reflections included in the refinement | 0.1621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212110 (current) | 2018-11-22 | cif/7 Fixing some Z values and formulae |
7020721.cif |
| 179912 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07. |
7020721.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020721.cif |
| 73650 | 2013-02-20 | cif/ Adding structures of 7020721 via cif-deposit CGI script. |
7020721.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.