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Information card for entry 7203159
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| Coordinates | 7203159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron) ethylene glycole solvate |
|---|---|
| Formula | C37 H30 Fe N6 O3 S24 |
| Calculated formula | C37 H30 Fe N6 O3 S24 |
| Title of publication | Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling |
| Authors of publication | Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2006 |
| Journal volume | 16 |
| Journal issue | 8 |
| Pages of publication | 787 |
| a | 19.481 ± 0.003 Å |
| b | 8.6405 ± 0.001 Å |
| c | 16.441 ± 0.002 Å |
| α | 98.894 ± 0.01° |
| β | 93.169 ± 0.01° |
| γ | 100.273 ± 0.01° |
| Cell volume | 2680.5 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0871 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180362 (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 7/20/31. |
7203159.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203159.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203159.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203159.cif |
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Users of the data should acknowledge the original authors of the
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