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Information card for entry 7119590
Preview
| Coordinates | 7119590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H14 Cl Fe0.5 N2 O9 |
|---|---|
| Calculated formula | C16 H14 Cl Fe0.5 N2 O9 |
| Title of publication | Slow magnetic relaxation in a mononuclear 8-coordinate Fe(ii) complex. |
| Authors of publication | Xiang, Jing; Liu, Jia-Jia; Chen, Xiao-Xiang; Jia, Li-Hui; Yu, Fei; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2017 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1474 - 1477 |
| a | 22.891 ± 0.009 Å |
| b | 10.538 ± 0.002 Å |
| c | 19.245 ± 0.006 Å |
| α | 90° |
| β | 127.27 ± 0.05° |
| γ | 90° |
| Cell volume | 3694 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1873 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.2364 |
| Weighted residual factors for all reflections included in the refinement | 0.3022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119590.cif |
| 191434 | 2017-02-04 | cif/ Adding structures of 7119590 via cif-deposit CGI script. |
7119590.cif |
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Users of the data should acknowledge the original authors of the
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