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Information card for entry 4508583
Preview
| Coordinates | 4508583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H28 O4 P S |
|---|---|
| Calculated formula | C32 H28 O4 P S |
| Title of publication | Correlation between Metal–Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4 |
| Authors of publication | Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 5135 |
| a | 9.7713 ± 0.0003 Å |
| b | 10.3882 ± 0.0003 Å |
| c | 13.5829 ± 0.0004 Å |
| α | 77.722 ± 0.001° |
| β | 80.749 ± 0.001° |
| γ | 84.399 ± 0.001° |
| Cell volume | 1326.81 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508583.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4508583.cif |
| 91622 | 2013-12-13 | cif/ Adding structures of 4508581, 4508582, 4508583, 4508584, 4508585, 4508586, 4508587, 4508588, 4508589, 4508590, 4508591 via cif-deposit CGI script. |
4508583.cif |
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Users of the data should acknowledge the original authors of the
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