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Information card for entry 7125398
Preview
| Coordinates | 7125398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H23 N11 Ni O2 |
|---|---|
| Calculated formula | C17 H23 N11 Ni O2 |
| Title of publication | Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes. |
| Authors of publication | Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 55 |
| Journal issue | 77 |
| Pages of publication | 11547 - 11550 |
| a | 32.1592 ± 0.0012 Å |
| b | 32.1592 ± 0.0012 Å |
| c | 10.0314 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10374.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1895 |
| Weighted residual factors for all reflections included in the refinement | 0.2088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125398.cif |
| 237849 | 2019-11-24 | cif/ Adding structures of 7125396, 7125397, 7125398 via cif-deposit CGI script. |
7125398.cif |
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Users of the data should acknowledge the original authors of the
structural data.