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Information card for entry 7242248
Preview
| Coordinates | 7242248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H34 N10 O2 Zn2 |
|---|---|
| Calculated formula | C22 H34 N10 O2 Zn2 |
| SMILES | [Zn]123([NH](Cc4c([O]1[Zn]15([O]2c2c(C[NH]1CC[N]5(C)C)cccc2)N=N#N)cccc4)CC[N]3(C)C)N=N#N |
| Title of publication | Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain |
| Authors of publication | Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 9 |
| Pages of publication | 1918 - 1928 |
| a | 8.3694 ± 0.0013 Å |
| b | 11.2558 ± 0.0018 Å |
| c | 15.878 ± 0.003 Å |
| α | 104.975 ± 0.004° |
| β | 101.287 ± 0.004° |
| γ | 97.972 ± 0.004° |
| Cell volume | 1388.5 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0812 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242248.cif |
| 263726 | 2021-04-05 | cif/ Updating files of 7242247, 7242248 Original log message: Adding full bibliography for 7242247--7242248.cif. |
7242248.cif |
| 261787 | 2021-02-05 | cif/ Adding structures of 7242247, 7242248 via cif-deposit CGI script. |
7242248.cif |
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Users of the data should acknowledge the original authors of the
structural data.