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Information card for entry 7063678
Preview
| Coordinates | 7063678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Fe N6 Ni O2 |
|---|---|
| Calculated formula | C16 H14 Fe N6 Ni O2 |
| Title of publication | Spin crossover in the Fe(3PyMe)2[M(CN)4] series with M = Ni, Pd, Pt, and 3PyMe = 3-pyridinemethanol. The role of the intermolecular OH⋯OH interaction |
| Authors of publication | Vázquez, M. C.; Avila, Y.; Sánchez, L.; Ortiz, A.; Piedra, O.; González, M.; Ávila, M.; Reguera, E. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| Journal volume | 49 |
| Journal issue | 12 |
| Pages of publication | 4943 - 4949 |
| a | 7.2527 ± 0.0005 Å |
| b | 7.2809 ± 0.0001 Å |
| c | 16.1197 ± 0.0004 Å |
| α | 90° |
| β | 91.53 ± 0.006° |
| γ | 90° |
| Cell volume | 850.92 ± 0.06 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 4.159 |
| Goodness-of-fit parameter for all reflections | 1.714 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299043 (current) | 2025-04-05 | cif/ Updating files of 7063676, 7063677, 7063678 Original log message: Adding full bibliography for 7063676--7063678.cif. |
7063678.cif |
| 297814 | 2025-02-21 | cif/ Adding structures of 7063676, 7063677, 7063678 via cif-deposit CGI script. |
7063678.cif |
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