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Information card for entry 7201256
Preview
| Coordinates | 7201256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H12 Fe N10 S4 |
|---|---|
| Calculated formula | C26 H12 Fe N10 S4 |
| SMILES | [Fe]12([n]3c4c(ccc3)c3nsnc3c3ccc[n]1c43)([n]1c3c(ccc1)c1nsnc1c1ccc[n]2c31)(N=C=S)N=C=S |
| Title of publication | Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline |
| Authors of publication | Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2065 |
| a | 8.5451 ± 0.0005 Å |
| b | 34.392 ± 0.002 Å |
| c | 8.5882 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2523.9 ± 0.2 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7201256.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7201256.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201256.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201256.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201256.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201256.cif |
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