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Information card for entry 7204890
Preview
| Coordinates | 7204890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (BEDT-TTF)6[Cu8(i-mnt)6](CH2Cl2)4 |
|---|---|
| Chemical name | hexakis-bisethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)-tetrakis-dichloromethane solvate |
| Formula | C44 H28 Cl4 Cu4 N6 S30 |
| Calculated formula | C44 H28 Cl4 Cu4 N6 S30 |
| Title of publication | Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4? |
| Authors of publication | Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 3509 |
| a | 12.8019 ± 0.0011 Å |
| b | 16.5389 ± 0.0014 Å |
| c | 17.5845 ± 0.0017 Å |
| α | 95.819 ± 0.011° |
| β | 91.382 ± 0.011° |
| γ | 109.792 ± 0.01° |
| Cell volume | 3478.4 ± 0.6 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 | 0.092 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1957 |
| Weighted residual factors for all reflections included in the refinement | 0.2049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 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. |
7204890.cif |
| 180379 | 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 7/20/48. |
7204890.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7204890.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204890.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204890.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204890.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.