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Information card for entry 7239972
Preview
| Coordinates | 7239972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 Co N18 O |
|---|---|
| Calculated formula | C24 H22 Co N18 O |
| SMILES | [Co]12([n]3c(c4[n]1nc(n4N)c1ncccc1)cccc3)([n]1nc(n(N)c1c1[n]2cccc1)c1ncccc1)(N=N#N)N=N#N.O |
| Title of publication | Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy |
| Authors of publication | Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 13 |
| Pages of publication | 2297 - 2303 |
| a | 13.1218 ± 0.0007 Å |
| b | 14.2515 ± 0.0007 Å |
| c | 14.6292 ± 0.0008 Å |
| α | 90° |
| β | 102.327 ± 0.005° |
| γ | 90° |
| Cell volume | 2672.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0927 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239972.cif |
| 257477 | 2020-10-06 | cif/ Updating files of 7239971, 7239972 Original log message: Adding full bibliography for 7239971--7239972.cif. |
7239972.cif |
| 250266 | 2020-04-05 | cif/ Updating files of 7239971, 7239972 Original log message: Adding full bibliography for 7239971--7239972.cif. |
7239972.cif |
| 248392 | 2020-02-22 | cif/ Adding structures of 7239971, 7239972 via cif-deposit CGI script. |
7239972.cif |
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Users of the data should acknowledge the original authors of the
structural data.