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Information card for entry 7023999
Preview
| Coordinates | 7023999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H30 Fe O5.5 S17 |
|---|---|
| Calculated formula | C30 H30 Fe O5.5 S17 |
| Title of publication | Structures and properties of a BEDT-TTF-based organic charge transfer salt and the zwitterion of ferrocenesulfonate. |
| Authors of publication | Akutsu, Hiroki; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Turner, Scott S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 46 |
| Pages of publication | 16351 - 16354 |
| a | 8.3183 ± 0.0018 Å |
| b | 11.743 ± 0.003 Å |
| c | 20.589 ± 0.004 Å |
| α | 85.4 ± 0.008° |
| β | 86.244 ± 0.007° |
| γ | 89.038 ± 0.007° |
| Cell volume | 2000.3 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023999.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. |
7023999.cif |
| 91624 | 2013-12-13 | cif/ Adding structures of 7023998, 7023999, 7024000 via cif-deposit CGI script. |
7023999.cif |
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Users of the data should acknowledge the original authors of the
structural data.