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Information card for entry 2232338
Preview
| Coordinates | 2232338.cif |
|---|---|
| Structure factors | 2232338.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~- pyrazine-tetrasilver(I)] dihydrate] |
|---|---|
| Formula | C26 H28 Ag4 N6 O16 S2 |
| Calculated formula | C26 H28 Ag4 N6 O16 S2 |
| SMILES | [Ag]([OH2])([n]1cc[n](cc1)[Ag]OC(=O)c1c(O)ccc(c1)S(=O)(=O)[O-])[n]1cc[n](cc1)[Ag]([OH2])[n]1cc[n](cc1)[Ag]OC(=O)c1c(O)ccc(c1)S(=O)(=O)[O-].O.O |
| Title of publication | Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~-pyrazine-tetrasilver(I)] dihydrate] |
| Authors of publication | Liu, Ying-Ying; Wang, Shen-Tang; Yan, Yong-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1545 |
| a | 7.646 ± 0.005 Å |
| b | 10.34 ± 0.004 Å |
| c | 11.375 ± 0.004 Å |
| α | 78.751 ± 0.003° |
| β | 73.436 ± 0.004° |
| γ | 82.882 ± 0.005° |
| Cell volume | 843.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 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 2/23/23. |
2232338.cif 2232338.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. |
2232338.cif 2232338.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232338.cif 2232338.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. | 2232338.cif 2232338.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232338.cif 2232338.hkl |
| 30993 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232338 via cif-deposit CGI script. |
2232338.cif |
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Users of the data should acknowledge the original authors of the
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