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Information card for entry 2231625
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| Coordinates | 2231625.cif |
|---|---|
| Structure factors | 2231625.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[{μ~3~-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonato}silver(I)] trihydrate] |
|---|---|
| Formula | C8 H23 Ag N2 O7 S |
| Calculated formula | C8 H23 Ag N2 O7 S |
| SMILES | [Ag]1[OH]CC[N]21CC[N](CC2)(CCS(=O)(=O)[O-])[Ag]1[OH]CC[N]21CCN(CC2)CCS(=O)(=O)[O-].O.O.O.O.O.O |
| Title of publication | Poly[[{μ~3~-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonato}silver(I)] trihydrate] |
| Authors of publication | Bilinovich, Stephanie M.; Panzner, Matthew J.; Youngs, Wiley J.; Leeper, Thomas C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1178 - m1179 |
| a | 11.2811 ± 0.0019 Å |
| b | 10.0973 ± 0.0017 Å |
| c | 12.875 ± 0.002 Å |
| α | 90° |
| β | 90.91 ± 0.003° |
| γ | 90° |
| Cell volume | 1466.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0455 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231625.cif 2231625.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. |
2231625.cif 2231625.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231625.cif 2231625.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. | 2231625.cif 2231625.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231625.cif 2231625.hkl |
| 27755 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231625 via cif-deposit CGI script. |
2231625.cif |
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Users of the data should acknowledge the original authors of the
structural data.