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Information card for entry 2239371
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| Coordinates | 2239371.cif |
|---|---|
| Structure factors | 2239371.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(dicyclohexylammonium) sulfate dihydrate |
|---|---|
| Formula | C24 H52 N2 O6 S |
| Calculated formula | C24 H52 N2 O6 S |
| SMILES | C1C(CCCC1)[NH2+]C1CCCCC1.S(=O)(=O)([O-])[O-].O.C1CCCCC1[NH2+]C1CCCCC1.O |
| Title of publication | Bis(dicyclohexylammonium) sulfate dihydrate |
| Authors of publication | Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o237 |
| a | 12.437 ± 0.003 Å |
| b | 12.437 ± 0.003 Å |
| c | 17.29 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2674.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239371.cif 2239371.hkl |
| 181312 | 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 2/23/93. |
2239371.cif 2239371.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. |
2239371.cif 2239371.hkl |
| 110654 | 2014-04-19 | cif/ hkl/ Adding structures of 2239371 via cif-deposit CGI script. |
2239371.cif 2239371.hkl |
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