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Information card for entry 2233345
Preview
| Coordinates | 2233345.cif |
|---|---|
| Structure factors | 2233345.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{2-[(pyridin-4-yl-κ<i>N</i>)sulfanyl]pyrazine}silver(I) tetrafluoridoborate |
|---|---|
| Formula | C18 H14 Ag B F4 N6 S2 |
| Calculated formula | C18 H14 Ag B F4 N6 S2 |
| SMILES | [Ag]([n]1ccc(Sc2nccnc2)cc1)[n]1ccc(Sc2nccnc2)cc1.[B](F)(F)(F)[F-] |
| Title of publication | Bis{2-[(pyridin-4-yl-κ<i>N</i>)sulfanyl]pyrazine}silver(I) tetrafluoridoborate |
| Authors of publication | Wang, Zi-Jia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m4 |
| a | 7.2232 ± 0.0002 Å |
| b | 16.4826 ± 0.0003 Å |
| c | 17.6098 ± 0.0004 Å |
| α | 90° |
| β | 91.666 ± 0.001° |
| γ | 90° |
| Cell volume | 2095.69 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233345.cif 2233345.hkl |
| 181255 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/33. |
2233345.cif 2233345.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233345.cif 2233345.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233345.cif 2233345.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233345.cif 2233345.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233345.cif 2233345.hkl |
| 32413 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233345 via cif-deposit CGI script. |
2233345.cif |
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Users of the data should acknowledge the original authors of the
structural data.