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Information card for entry 1512965
Preview
| Coordinates | 1512965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H22 N8 O10 Zn |
|---|---|
| Calculated formula | C18 H22 N8 O10 Zn |
| SMILES | [Zn]1234([N](O)=C(C)c5[n]1c(ccc5)C(=[N]2O)C)[N](O)=C(C)c1[n]3c(ccc1)C(=[N]4O)C.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation |
| Authors of publication | Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 396 |
| Pages of publication | 49 - 59 |
| a | 7.4582 ± 0.0002 Å |
| b | 7.4654 ± 0.0002 Å |
| c | 41.4496 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2307.85 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for significantly intense reflections | 0.2051 |
| Weighted residual factors for all reflections included in the refinement | 0.2261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512965.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512965.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512965.cif |
| 91297 | 2013-12-11 | cif/ Adding structures of 1512965 via cif-deposit CGI script. |
1512965.cif |
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