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Information card for entry 4084236
Preview
| Coordinates | 4084236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C196 H184 Cl4 Fe4 N8 O0.75 P10 |
|---|---|
| Calculated formula | C196 H184 Cl4 Fe4 N8 O0.748 P10 |
| Title of publication | From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch |
| Authors of publication | Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 16 |
| Pages of publication | 4209 |
| a | 13.0215 ± 0.0004 Å |
| b | 15.5412 ± 0.0004 Å |
| c | 26.2434 ± 0.0006 Å |
| α | 105.34 ± 0.002° |
| β | 91.571 ± 0.002° |
| γ | 113.16 ± 0.002° |
| Cell volume | 4656.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178731 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42. |
4084236.cif |
| 123105 | 2014-09-06 | cif/ Updating files of 4084236, 4084237, 4084238, 4084239 Original log message: Adding full bibliography for 4084236--4084239.cif. |
4084236.cif |
| 122161 | 2014-08-18 | cif/ Adding structures of 4084236, 4084237, 4084238, 4084239 via cif-deposit CGI script. |
4084236.cif |
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Users of the data should acknowledge the original authors of the
structural data.