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Information card for entry 2237608
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| Coordinates | 2237608.cif |
|---|---|
| Structure factors | 2237608.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-sulfamoylanilinium) sulfate |
|---|---|
| Formula | C12 H18 N4 O8 S3 |
| Calculated formula | C12 H18 N4 O8 S3 |
| SMILES | c1(ccc(cc1)[NH3+])S(=O)(=O)N.S(=O)(=O)([O-])[O-].c1(ccc(cc1)[NH3+])S(=O)(=O)N |
| Title of publication | Bis(4-sulfamoylanilinium) sulfate |
| Authors of publication | Ravikumar, B.; Pandiarajan, S.; Athimoolam, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | o596 |
| a | 9.6543 ± 0.0006 Å |
| b | 9.7591 ± 0.0011 Å |
| c | 18.579 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1750.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (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 2/23/76. |
2237608.cif 2237608.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. |
2237608.cif 2237608.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237608.cif 2237608.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237608.cif 2237608.hkl |
| 85347 | 2013-05-07 | cif/ Adding structures of 2237608 via cif-deposit CGI script. |
2237608.cif |
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Users of the data should acknowledge the original authors of the
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