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Information card for entry 2239132
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| Coordinates | 2239132.cif |
|---|---|
| Structure factors | 2239132.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Nitrophenylhydrazinium picrate monohydrate |
|---|---|
| Formula | C12 H12 N6 O10 |
| Calculated formula | C12 H12 N6 O10 |
| SMILES | c1(ccc(cc1)N(=O)=O)N[NH3+].c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O |
| Title of publication | 4-Nitrophenylhydrazinium picrate monohydrate |
| Authors of publication | Cai, Hong-lan; Liu, Bing; Qiao, Qing-an |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o15 |
| a | 4.8483 ± 0.0003 Å |
| b | 28.798 ± 0.002 Å |
| c | 11.6352 ± 0.0008 Å |
| α | 90° |
| β | 101.36 ± 0.001° |
| γ | 90° |
| Cell volume | 1592.7 ± 0.18 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0963 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239132.cif 2239132.hkl |
| 181310 | 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 2/23/91. |
2239132.cif 2239132.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. |
2239132.cif 2239132.hkl |
| 105021 | 2014-03-11 | cif/ hkl/ Adding structures of 2239132 via cif-deposit CGI script. |
2239132.cif 2239132.hkl |
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Users of the data should acknowledge the original authors of the
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