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Information card for entry 2019565
Preview
| Coordinates | 2019565.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis(μ~3~-2-carboxypyridine-2-carboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)tristrontium(II)] dihydrate] |
|---|---|
| Formula | C28 H22 N4 O20 Sr3 |
| Calculated formula | C28 H22 N4 O20 Sr3 |
| SMILES | c1ccc(nc1C(=O)O)C(=O)[O-].c1(C(=O)[O-])nc(ccc1)C(=O)[O-].[Sr+2].O.O.[Sr+2].C(=O)(c1cccc(C(=O)[O-])n1)O.C(=O)([O-])c2nc(ccc2)C(=O)[O-].[Sr+2].O.O |
| Title of publication | A new three-dimensional coordination polymer of Sr^II^ based on dipicolinic acid, with different coordination environments for Sr^II^ |
| Authors of publication | Soleimannejad, Janet; Derikvand, Zohreh; Koleiae, Farzaneh |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 613 - 616 |
| a | 10.3733 ± 0.0005 Å |
| b | 9.1936 ± 0.0004 Å |
| c | 18.4182 ± 0.0008 Å |
| α | 90° |
| β | 104.469 ± 0.001° |
| γ | 90° |
| Cell volume | 1700.8 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0256 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019565.cif |
| 119349 | 2014-07-05 | cif/ Updating files of 2019565 Original log message: Adding full bibliography for 2019565.cif. |
2019565.cif |
| 114408 | 2014-05-24 | cif/ hkl/ Adding structures of 2019565 via cif-deposit CGI script. |
2019565.cif |
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