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Information card for entry 4342370
Preview
| Coordinates | 4342370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Cl4 Fe K O2 S4 |
|---|---|
| Calculated formula | C20 H20 Cl4 Fe K O2 S4 |
| SMILES | c12c(ccc(c1S[Fe]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.C1CCCO1.C1CCCO1.[K+] |
| Title of publication | Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. |
| Authors of publication | Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 2243 |
| a | 8.358 ± 0.0018 Å |
| b | 12.207 ± 0.0009 Å |
| c | 13.146 ± 0.003 Å |
| α | 72.886 ± 0.017° |
| β | 81.607 ± 0.016° |
| γ | 86.142 ± 0.013° |
| Cell volume | 1267.7 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.174 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| 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 |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4342370.cif |
| 132840 | 2015-03-04 | cif/ Updating files of 4342370, 4342371, 4342372, 4342373, 4342374, 4342375 Original log message: Adding full bibliography for 4342370--4342375.cif. |
4342370.cif |
| 131649 | 2015-02-11 | cif/ Adding structures of 4342370, 4342371, 4342372, 4342373, 4342374, 4342375 via cif-deposit CGI script. |
4342370.cif |
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Users of the data should acknowledge the original authors of the
structural data.