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Information card for entry 2227522
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| Coordinates | 2227522.cif |
|---|---|
| Structure factors | 2227522.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(trifluoromethanesulfonato)bis(1,3,7-trimethylpurine-2,6-dione)silver(I) |
|---|---|
| Formula | C17 H22 Ag F3 N8 O8 S |
| Calculated formula | C17 H22 Ag F3 N8 O8 S |
| SMILES | [Ag]([OH2])(OS(=O)(=O)C(F)(F)F)([n]1c2N(C(=O)N(C(=O)c2n(c1)C)C)C)[n]1c2N(C(=O)N(C(=O)c2n(c1)C)C)C |
| Title of publication | Aqua(trifluoromethanesulfonato)bis(1,3,7-trimethylpurine-2,6-dione)silver(I) |
| Authors of publication | Arman, Hadi D.; Miller, Tyler; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1211 |
| a | 8.9012 ± 0.001 Å |
| b | 10.0408 ± 0.0008 Å |
| c | 15.457 ± 0.002 Å |
| α | 72.091 ± 0.007° |
| β | 85.444 ± 0.009° |
| γ | 63.672 ± 0.006° |
| Cell volume | 1175.5 ± 0.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181196 (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 2/22/75. |
2227522.cif 2227522.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. |
2227522.cif 2227522.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227522.cif 2227522.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. | 2227522.cif 2227522.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227522.cif 2227522.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227522.cif 2227522.hkl |
| 4559 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227522 via cif-deposit CGI script. |
2227522.cif |
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Users of the data should acknowledge the original authors of the
structural data.