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Information card for entry 7706481
Preview
| Coordinates | 7706481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 Fe N10 O4 |
|---|---|
| Calculated formula | C28 H26 Fe N10 O4 |
| Title of publication | Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes. |
| Authors of publication | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Vieira, Bruno J. C.; Waerenborgh, João C; Romero, Francisco M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 7 |
| Pages of publication | 2536 - 2544 |
| a | 18.452 ± 0.0002 Å |
| b | 20.1395 ± 0.0003 Å |
| c | 15.0697 ± 0.0002 Å |
| α | 90° |
| β | 94.254 ± 0.001° |
| γ | 90° |
| Cell volume | 5584.68 ± 0.13 Å3 |
| Cell temperature | 298 ± 0.1 K |
| Ambient diffraction temperature | 298 ± 0.1 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 | 0.065 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706481.cif |
| 262652 | 2021-03-05 | cif/ Updating files of 7706480, 7706481 Original log message: Adding full bibliography for 7706480--7706481.cif. |
7706481.cif |
| 261136 | 2021-01-22 | cif/ Adding structures of 7706480, 7706481 via cif-deposit CGI script. |
7706481.cif |
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Users of the data should acknowledge the original authors of the
structural data.