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Information card for entry 2019497
Preview
| Coordinates | 2019497.cif |
|---|---|
| Structure factors | 2019497.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5- yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)] |
|---|---|
| Formula | C15 H11 Ag N4 O2 S |
| Calculated formula | C15 H11 Ag N4 O2 S |
| SMILES | [Ag]1[O]=C(c2ccc(cc2)CSc2n(nnn2)c2ccccc2)O[Ag]2[O]=C(O1)c1ccc(cc1)CSc1n(c3ccccc3)nn[n]1[Ag]1[O]=C(c3ccc(cc3)CSc3n(nn[n]23)c2ccccc2)O[Ag][O]=C(O1)c1ccc(cc1)CSc1n(nnn1)c1ccccc1 |
| Title of publication | A one-dimensional silver(I) coordination polymer based on an asymmetric flexible <i>N</i>-donor carboxylate ligand: <i>catena</i>-poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)] |
| Authors of publication | Zhang, Hai-Na; Zhang, Qing-Fu; Wang, Jia-Jia; Geng, Ai-Jing; Zhang, Chong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 292 - 296 |
| a | 15.1501 ± 0.0013 Å |
| b | 8.29 ± 0.0007 Å |
| c | 12.3879 ± 0.0011 Å |
| α | 90° |
| β | 96.936 ± 0.002° |
| γ | 90° |
| Cell volume | 1544.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019497.cif 2019497.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019497.cif 2019497.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019497.cif 2019497.hkl |
| 110647 | 2014-04-19 | cif/ hkl/ Adding structures of 2019497 via cif-deposit CGI script. |
2019497.cif 2019497.hkl |
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Users of the data should acknowledge the original authors of the
structural data.