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Information card for entry 7203676
Preview
| Coordinates | 7203676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | penta(bis(ethylenedioxo)tetrathiafulvalene) tetracyano-nickel ethylene glycol solvate |
|---|---|
| Formula | C30 H29 N2 Ni0.5 O13 S10 |
| Calculated formula | C30 H20 N2 Ni0.5 O13 S10 |
| Title of publication | New molecular metals based on BEDO radical cation salts with the square planar Ni(CN)42? anion |
| Authors of publication | Dubrovskii, Alexander D.; Spitsina, Nataliya G.; Buravov, Lev I.; Shilov, Gennadii V.; Dyachenko, Oleg A.; Yagubskii, Eduard B.; Laukhin, Vladimir N.; Canadell, Enric |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2005 |
| Pages of publication | 1248 - 1254 |
| a | 17.542 ± 0.004 Å |
| b | 10.415 ± 0.002 Å |
| c | 10.928 ± 0.002 Å |
| α | 71.94 ± 0.03° |
| β | 84.4 ± 0.03° |
| γ | 88.88 ± 0.03° |
| Cell volume | 1889 ± 0.7 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 | 0.127 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1864 |
| Weighted residual factors for all reflections included in the refinement | 0.2099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203676.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203676.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203676.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7203676.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203676.cif |
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Users of the data should acknowledge the original authors of the
structural data.