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Information card for entry 2227641
Preview
| Coordinates | 2227641.cif |
|---|---|
| Structure factors | 2227641.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine- κ<i>N</i>^1^]bis[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)] |
|---|---|
| Formula | C24 H22 Ag2 F6 N6 O6 S4 |
| Calculated formula | C24 H22 Ag2 F6 N6 O6 S4 |
| SMILES | c1cccc2CSc3nc(cc[n]3[Ag][n]3ccccc3CSc3nc(cc[n]3[Ag][n]12)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Bis[μ-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine-κ<i>N</i>^1^]bis[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)] |
| Authors of publication | Wang, Huan-Huan; Zhang, Chao-Yan; Cui, Yue; Gao, Qian; Xie, Ya-Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1496 |
| a | 8.9999 ± 0.0018 Å |
| b | 9.1087 ± 0.0018 Å |
| c | 10.937 ± 0.002 Å |
| α | 75.07 ± 0.03° |
| β | 88.59 ± 0.03° |
| γ | 68.97 ± 0.03° |
| Cell volume | 806.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0592 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76. |
2227641.cif 2227641.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227641.cif 2227641.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227641.cif 2227641.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. | 2227641.cif 2227641.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227641.cif 2227641.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227641.cif 2227641.hkl |
| 4678 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227641 via cif-deposit CGI script. |
2227641.cif |
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