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Information card for entry 7113479
Preview
| Coordinates | 7113479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 N3 O3 S Zn0.5 |
|---|---|
| Calculated formula | C14 H16 N3 O3 S Zn0.5 |
| Title of publication | Controlled crystallization of mixed-ligand complexes of 1,3-bis(4-pyridyl)propane-N,N'-dioxide with metal(ii) thiocyanates: isostructurality in coordination networks bearing different mono- and di-nuclear nodes |
| Authors of publication | Zhang, Lin-Ping; Lu, Wen-Jie; Mak, Thomas C. W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2003 |
| Journal issue | 22 |
| Pages of publication | 2830 - 2831 |
| a | 12.564 ± 0.003 Å |
| b | 14.136 ± 0.003 Å |
| c | 8.7786 ± 0.0018 Å |
| α | 90° |
| β | 94.28 ± 0.03° |
| γ | 90° |
| Cell volume | 1554.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7113479.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113479.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7113479.cif |
| 115083 | 2014-06-02 | cif/ Adding structures of 7113471, 7113472, 7113473, 7113474, 7113475, 7113476, 7113477, 7113478, 7113479 via cif-deposit CGI script. |
7113479.cif |
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Users of the data should acknowledge the original authors of the
structural data.