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Information card for entry 7246402
Preview
| Coordinates | 7246402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 Cl Cu2 N12 O6 S3 |
|---|---|
| Calculated formula | C21 H25 Cl Cu2 N12 O6 S3 |
| SMILES | [Cu]12([N](N=C(S1)N)=Cc1[n]2cccc1)[S]1[Cu]234([n]5ccccc5C=[N]2N=C1N)SC(=N[N]4=Cc1[n]3cccc1)N.Cl(=O)(=O)(=O)[O-].O.O |
| Title of publication | Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media |
| Authors of publication | Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 15 |
| Pages of publication | 2213 - 2226 |
| a | 16.963 ± 0.003 Å |
| b | 10.1822 ± 0.0013 Å |
| c | 18.387 ± 0.003 Å |
| α | 90° |
| β | 91.86 ± 0.014° |
| γ | 90° |
| Cell volume | 3174.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.187 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283219 (current) | 2023-05-05 | cif/ Updating files of 7246399, 7246400, 7246401, 7246402, 7246403 Original log message: Adding full bibliography for 7246399--7246403.cif. |
7246402.cif |
| 281679 | 2023-03-07 | cif/ Adding structures of 7246399, 7246400, 7246401, 7246402, 7246403 via cif-deposit CGI script. |
7246402.cif |
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Users of the data should acknowledge the original authors of the
structural data.