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Information card for entry 7064001
Preview
| Coordinates | 7064001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Iron Ethyl-Isonicotinate nitroprusside |
|---|---|
| Formula | C21 Fe2 N8 O5 |
| Calculated formula | C21 Fe2 N8 O5 |
| Title of publication | Spin crossover in Fe(4X-Isonicotinate) 2 [Fe(CN) 5 NO] with X= methyl and ethyl. Effect of the 4X substituent size on the spin transition |
| Authors of publication | Vazquez, Monica C.; Avila, Y.; Mojica, Rodrigo; Cervera-Gabalda, Laura; Galarreta-Rodríguez, Itziar; González, Marlene M.; Rodríguez-Hernández, Joelis; Rubio-Zuazo, Juan; Reguera, Edilso |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 12.3359 ± 0.0006 Å |
| b | 14.5696 ± 0.0005 Å |
| c | 7.3867 ± 0.0005 Å |
| α | 90° |
| β | 98.76 ± 0.03° |
| γ | 90° |
| Cell volume | 1312.12 ± 0.16 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor R(I) for significantly intense reflections | 26.2757 |
| Goodness-of-fit parameter for all reflections | 1.564 |
| Method of determination | powder diffraction |
| Diffraction radiation type | CuKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302120 (current) | 2025-09-12 | cif/ Adding structures of 7064001, 7064002, 7064003, 7064004 via cif-deposit CGI script. |
7064001.cif |
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