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Information card for entry 7214936
Preview
| Coordinates | 7214936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H12 N2 O3 |
|---|---|
| Calculated formula | C14 H12 N2 O3 |
| SMILES | O=C(Nc1cccnc1)c1ccc(cc1)C(=O)OC |
| Title of publication | Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions |
| Authors of publication | Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 23 |
| Pages of publication | 8143 |
| a | 3.9462 ± 0.0002 Å |
| b | 28.9809 ± 0.0011 Å |
| c | 5.2402 ± 0.0002 Å |
| α | 90° |
| β | 95.337 ± 0.002° |
| γ | 90° |
| Cell volume | 596.69 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214936.cif |
| 180480 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49. |
7214936.cif |
| 111000 | 2014-04-20 | cif/ Adding structures of 7214935, 7214936, 7214937, 7214938, 7214939, 7214940, 7214941, 7214942, 7214943, 7214944, 7214945, 7214946 via cif-deposit CGI script. |
7214936.cif |
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Users of the data should acknowledge the original authors of the
structural data.