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Information card for entry 2019056
Preview
| Coordinates | 2019056.cif |
|---|---|
| Structure factors | 2019056.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(2-phenylquinoline-4-carboxylato-κ<i>O</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] |
|---|---|
| Formula | C26 H24 Ag N3 O5 |
| Calculated formula | C26 H24 Ag N3 O5 |
| SMILES | [Ag]([n]1ccc(cc1)c1cc[n](cc1)[Ag]([n]1ccc(cc1)c1ccncc1)(OC(c1c2c(cccc2)nc(c1)c1ccccc1)=O)[OH2])(OC(c1c2c(cccc2)nc(c1)c1ccccc1)=O)[OH2].O.O.O.O |
| Title of publication | A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine |
| Authors of publication | Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 742 - 744 |
| a | 9.4006 ± 0.0009 Å |
| b | 27.461 ± 0.003 Å |
| c | 9.5349 ± 0.0009 Å |
| α | 90° |
| β | 105.987 ± 0.001° |
| γ | 90° |
| Cell volume | 2366.2 ± 0.4 Å3 |
| Cell temperature | 151 ± 2 K |
| Ambient diffraction temperature | 151 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 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 2/01/90. |
2019056.cif 2019056.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. |
2019056.cif 2019056.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2019056.cif 2019056.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019056.cif 2019056.hkl |
| 87513 | 2013-08-27 | cif/ Adding structures of 2019056 via cif-deposit CGI script. |
2019056.cif |
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Users of the data should acknowledge the original authors of the
structural data.