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Information card for entry 7239403
Preview
| Coordinates | 7239403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 N4 O2 |
|---|---|
| Calculated formula | C20 H18 N4 O2 |
| Title of publication | Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers |
| Authors of publication | Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 18 |
| Pages of publication | 9383 |
| a | 6.0659 ± 0.0007 Å |
| b | 15.2611 ± 0.0019 Å |
| c | 19.086 ± 0.002 Å |
| α | 90° |
| β | 98.971 ± 0.002° |
| γ | 90° |
| Cell volume | 1745.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1861 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
7239403.cif |
| 244686 | 2019-11-28 | cif/ Adding structures of 7239403, 7239404, 7239405 via cif-deposit CGI script. |
7239403.cif |
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Users of the data should acknowledge the original authors of the
structural data.