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Information card for entry 2240473
Preview
| Coordinates | 2240473.cif |
|---|---|
| Structure factors | 2240473.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate |
|---|---|
| Chemical name | Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate |
| Formula | C4 H32 Co N2 O16 S2 |
| Calculated formula | C4 H32 Co N2 O16 S2 |
| SMILES | C[NH2+]C.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O.C[NH2+]C.[O-]S(=O)(=O)[O-].O |
| Title of publication | Crystal structure of bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate |
| Authors of publication | Held, Peter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m77 - m78 |
| a | 8.975 ± 0.005 Å |
| b | 13.268 ± 0.005 Å |
| c | 16.528 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1968.2 ± 1.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1203 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240473.cif 2240473.hkl |
| 181904 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240473.cif 2240473.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240473.cif 2240473.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240473.cif 2240473.hkl |
| 132704 | 2015-03-04 | cif/ hkl/ Adding structures of 2240473 via cif-deposit CGI script. |
2240473.cif 2240473.hkl |
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Users of the data should acknowledge the original authors of the
structural data.