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Information card for entry 7202875
Preview
| Coordinates | 7202875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 Cl6 Mo3 N S15 |
|---|---|
| Calculated formula | C12 H8 Cl6 Mo3 N S15 |
| Title of publication | Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET) |
| Authors of publication | Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 32 |
| Pages of publication | 3440 |
| a | 10.0467 ± 0.001 Å |
| b | 11.3217 ± 0.0012 Å |
| c | 14.8607 ± 0.0015 Å |
| α | 105.133 ± 0.002° |
| β | 92.035 ± 0.002° |
| γ | 99.297 ± 0.003° |
| Cell volume | 1604.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1135 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180359 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/28. |
7202875.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202875.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202875.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202875.cif |
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Users of the data should acknowledge the original authors of the
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