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Information card for entry 7242156
Preview
| Coordinates | 7242156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H40 N10 Ni2 O5 |
|---|---|
| Calculated formula | C26 H40 N10 Ni2 O5 |
| SMILES | [Ni]1234([N]([Ni]56(N=N#N)([O]1c1c(cccc1[O]2CC)C=[N]5CC[NH]6CC)[OH2])=N#N)Oc1c(cccc1OCC)C=[N]3CC[NH]4CC |
| Title of publication | Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction |
| Authors of publication | Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 9 |
| Pages of publication | 1942 - 1952 |
| a | 11.5492 ± 0.0004 Å |
| b | 12.424 ± 0.0003 Å |
| c | 21.6851 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3111.54 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263727 (current) | 2021-04-05 | cif/ Updating files of 7242155, 7242156 Original log message: Adding full bibliography for 7242155--7242156.cif. |
7242156.cif |
| 261163 | 2021-01-23 | cif/ Adding structures of 7242155, 7242156 via cif-deposit CGI script. |
7242156.cif |
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Users of the data should acknowledge the original authors of the
structural data.