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Information card for entry 2231061
Preview
| Coordinates | 2231061.cif |
|---|---|
| Structure factors | 2231061.hkl |
| Original IUCr paper | HTML |
| Chemical name | Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate |
|---|---|
| Formula | C5 H38 Co2 N2 O24 S3 |
| Calculated formula | C5 H38 Co2 N2 O24 S3 |
| SMILES | C1CC[NH2+]CC[NH2+]1.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O=S(=O)([O-])[O-] |
| Title of publication | Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate |
| Authors of publication | Sahbani, Thameur; Smirani Sta, Wajda; S. Al-Deyab, Salem; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1079 |
| a | 14.109 ± 0.002 Å |
| b | 11.73 ± 0.003 Å |
| c | 16.696 ± 0.005 Å |
| α | 90° |
| β | 106.65 ± 0.02° |
| γ | 90° |
| Cell volume | 2647.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| 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 | 0.1751 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.56085 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181232 (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 2/23/10. |
2231061.cif 2231061.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. |
2231061.cif 2231061.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231061.cif 2231061.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. | 2231061.cif 2231061.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231061.cif 2231061.hkl |
| 26953 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231061 via cif-deposit CGI script. |
2231061.cif |
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Users of the data should acknowledge the original authors of the
structural data.