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Information card for entry 8102079
Preview
| Coordinates | 8102079.cif |
|---|---|
| External links | PubChem |
| Chemical name | bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)bis(perchlorato)copper(II) |
|---|---|
| Formula | C24 H16 Cl2 Cu N8 O8 S2 |
| Calculated formula | C24 H16 Cl2 Cu N8 O8 S2 |
| SMILES | [Cu]12(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)([n]3nc(sc3c3[n]1cccc3)c1ncccc1)[n]1ccccc1c1sc(n[n]21)c1ncccc1 |
| Title of publication | Crystal structure of bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)-bis (perchlorato)copper(II), Cu(C~12~H~8~N~4~S)~2~(ClO~4~)~2~ |
| Authors of publication | Zheng, X.-F.; Wan, X.-S.; Liu, W.; Niu, C.-Y.; Kou, C.-H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 4 |
| Pages of publication | 543 - 544 |
| a | 16.4224 ± 0.0012 Å |
| b | 8.997 ± 0.0007 Å |
| c | 19.636 ± 0.0015 Å |
| α | 90° |
| β | 93.284 ± 0.001° |
| γ | 90° |
| Cell volume | 2896.5 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102079.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102079.cif |
| 108008 | 2014-03-26 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102079.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102079.cif |
| 12818 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102079 via cif-deposit CGI script. |
8102079.cif |
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