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Information card for entry 2019824
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| Coordinates | 2019824.cif |
|---|---|
| Structure factors | 2019824.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-5-nitropyridinium sulfamate |
|---|---|
| Formula | C5 H8 N4 O5 S |
| Calculated formula | C5 H8 N4 O5 S |
| Title of publication | Crystal structure of 2-amino-5-nitropyridinium sulfamate |
| Authors of publication | Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 231 |
| a | 28.0866 ± 0.001 Å |
| b | 9.0052 ± 0.0003 Å |
| c | 7.4023 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1872.23 ± 0.1 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.284 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019824.cif 2019824.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019824.cif 2019824.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019824.cif 2019824.hkl |
| 130249 | 2015-02-01 | cif/ hkl/ Adding structures of 2019824 via cif-deposit CGI script. |
2019824.cif 2019824.hkl |
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Users of the data should acknowledge the original authors of the
structural data.