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Information card for entry 2231479
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| Coordinates | 2231479.cif |
|---|---|
| Structure factors | 2231479.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethylenediammonium tetraaquadisulfatocadmate |
|---|---|
| Formula | C2 H18 Cd N2 O12 S2 |
| Calculated formula | C2 H18 Cd N2 O12 S2 |
| SMILES | C([NH3+])C[NH3+].S(=O)(=O)([O-])O[Cd]([OH2])(OS(=O)(=O)[O-])([OH2])([OH2])[OH2] |
| Title of publication | Ethylenediammonium tetraaquadisulfatocadmate |
| Authors of publication | Rekik, Walid; Naïli, Houcine; Mhiri, Tahar; Bataille, Thierry |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1176 - m1177 |
| a | 6.9114 ± 0.0002 Å |
| b | 7.3056 ± 0.0002 Å |
| c | 7.3629 ± 0.0001 Å |
| α | 74.013 ± 0.002° |
| β | 71.731 ± 0.001° |
| γ | 78.043 ± 0.001° |
| Cell volume | 336.388 ± 0.015 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181236 (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 2/23/14. |
2231479.cif 2231479.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. |
2231479.cif 2231479.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231479.cif 2231479.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. | 2231479.cif 2231479.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231479.cif 2231479.hkl |
| 27608 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231479 via cif-deposit CGI script. |
2231479.cif |
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Users of the data should acknowledge the original authors of the
structural data.