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Information card for entry 4101741
Preview
| Coordinates | 4101741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H32 B Fe N12 |
|---|---|
| Calculated formula | C23 H32 B Fe N12 |
| SMILES | [Fe]12([n]3n([B](n4[n]1ccc4)(n1[n]2ccc1)n1nccc1)ccc3)(C#N)(C#N)C#N.[N+](CC)(CC)(CC)CC |
| Title of publication | Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue. |
| Authors of publication | Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 1 |
| Pages of publication | 252 - 258 |
| a | 10.258 ± 0.0002 Å |
| b | 15.2386 ± 0.0003 Å |
| c | 16.9913 ± 0.0004 Å |
| α | 90° |
| β | 96.1396 ± 0.0007° |
| γ | 90° |
| Cell volume | 2640.8 ± 0.1 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| 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 | 0.0793 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178763 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17. |
4101741.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101741.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101741.cif |
| 22673 | 2011-07-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101741 via cif-deposit CGI script. |
4101741.cif |
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Users of the data should acknowledge the original authors of the
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