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Information card for entry 4316763
Preview
| Coordinates | 4316763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 Fe N18 |
|---|---|
| Calculated formula | C34.01 H20 Fe N18 |
| Title of publication | Cyanocarbanion-Based Spin-Crossover Materials: Photocrystallographic and Photomagnetic Studies of a New Iron(II) Neutral Chain |
| Authors of publication | Gaelle Dupouy; Smail Triki; Mathieu Marchivie; Nathalie Cosquer; Carlos J. Gómez-García; Sébastien Pillet; El-Eulmi Bendeif; Claude Lecomte; Saket Asthana; Jean-François Létard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9358 - 9368 |
| a | 11.2359 ± 0.0003 Å |
| b | 12.2079 ± 0.0002 Å |
| c | 11.8655 ± 0.0002 Å |
| α | 90° |
| β | 91.703 ± 0.002° |
| γ | 90° |
| Cell volume | 1626.83 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179247 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67. |
4316763.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316763.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316763.cif |
| 10269 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316763 via cif-deposit CGI script. |
4316763.cif |
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Users of the data should acknowledge the original authors of the
structural data.