Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235956
Preview
| Coordinates | 2235956.cif |
|---|---|
| Structure factors | 2235956.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~- thiophene-2,5-dicarboxylato)dieuropium(III)] |
|---|---|
| Formula | C18 H14 Eu2 O16 S3 |
| Calculated formula | C18 H14 Eu2 O16 S3 |
| SMILES | c1(ccc(C(=O)[O-])s1)C(=O)[O-].s1c(ccc1C(=O)[O-])C(=O)[O-].[Eu+3].[Eu+3].O.O.c1(ccc(C(=O)[O-])s1)C(=O)[O-].O.O |
| Title of publication | Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~-thiophene-2,5-dicarboxylato)dieuropium(III)] |
| Authors of publication | Du, Xi-Gang; Zhang, Jun; Li, Jia-Jia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1024 |
| a | 25.366 ± 0.008 Å |
| b | 5.8326 ± 0.0014 Å |
| c | 19.008 ± 0.006 Å |
| α | 90° |
| β | 124.136 ± 0.004° |
| γ | 90° |
| Cell volume | 2327.7 ± 1.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181281 (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 2/23/59. |
2235956.cif 2235956.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. |
2235956.cif 2235956.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235956.cif 2235956.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. | 2235956.cif 2235956.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235956.cif 2235956.hkl |
| 66041 | 2012-09-06 | cif/ Adding structures of 2235956 via cif-deposit CGI script. |
2235956.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.