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Information card for entry 4342041
Preview
| Coordinates | 4342041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H20 Fe N6 O6 |
|---|---|
| Calculated formula | C32 H20 Fe N6 O6 |
| SMILES | c1ccc2c3c([N]4[Fe]56([n]13)(Oc1c(cc(N(=O)=O)cc1)C=[N]6c1c3c(ccc[n]53)ccc1)Oc1c(C=4)cc(N(=O)=O)cc1)ccc2 |
| Title of publication | Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability. |
| Authors of publication | Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1791 - 1799 |
| a | 19.2422 ± 0.0013 Å |
| b | 10.4155 ± 0.0009 Å |
| c | 12.9086 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2587.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0902 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342041.cif |
| 179523 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342041.cif |
| 132805 | 2015-03-04 | cif/ Updating files of 4342039, 4342040, 4342041 Original log message: Adding full bibliography for 4342039--4342041.cif. |
4342041.cif |
| 129776 | 2015-01-17 | cif/ Adding structures of 4342039, 4342040, 4342041 via cif-deposit CGI script. |
4342041.cif |
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