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Information card for entry 2019560
Preview
| Coordinates | 2019560.cif |
|---|---|
| Structure factors | 2019560.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)] |
|---|---|
| Formula | C42 H30 N6 O34 S Sr7 |
| Calculated formula | C42 H30 N6 O34 S Sr7 |
| SMILES | C([O-])(c1cccc(C(=O)[O-])n1)=O.[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[O-]C(=O)c1nc(C(=O)[O-])ccc1.n1c(C(=O)[O-])cccc1C(=O)[O-].O=S(=O)([O-])[O-].O.O.O.C(=O)(c1cccc(C(=O)[O-])n1)[O-].[O-]C(=O)c1nc(C(=O)[O-])ccc1.[O-]C(=O)c1nc(C(=O)[O-])ccc1.O.O.O |
| Title of publication | A novel alkaline earth strontium(II) coordination polymer: poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)] |
| Authors of publication | Zhang, Wei; Qi, Shu-Guang; Feng, Yu-Quan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 584 - 587 |
| a | 10.82 ± 0.006 Å |
| b | 10.69 ± 0.006 Å |
| c | 22.803 ± 0.012 Å |
| α | 90° |
| β | 94.628 ± 0.01° |
| γ | 90° |
| Cell volume | 2629 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019560.cif 2019560.hkl |
| 180863 | 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 2/01/95. |
2019560.cif 2019560.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019560.cif 2019560.hkl |
| 119358 | 2014-07-05 | cif/ Updating files of 2019560 Original log message: Adding full bibliography for 2019560.cif. |
2019560.cif 2019560.hkl |
| 113925 | 2014-05-18 | cif/ hkl/ Adding structures of 2019560 via cif-deposit CGI script. |
2019560.cif 2019560.hkl |
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