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Information card for entry 7244935
Preview
| Coordinates | 7244935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 Fe N10 S2 |
|---|---|
| Calculated formula | C24 H24 Fe N10 S2 |
| Title of publication | Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal |
| Authors of publication | Hagiwara, Hiroaki; Konomura, Souta |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 10.7423 ± 0.0003 Å |
| b | 11.7166 ± 0.0004 Å |
| c | 21.8606 ± 0.0008 Å |
| α | 90° |
| β | 99.702 ± 0.003° |
| γ | 90° |
| Cell volume | 2712.09 ± 0.16 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 275420 (current) | 2022-05-14 | cif/ Adding structures of 7244930, 7244931, 7244932, 7244933, 7244934, 7244935 via cif-deposit CGI script. |
7244935.cif |
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Users of the data should acknowledge the original authors of the
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