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Information card for entry 2019607
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| Coordinates | 2019607.cif |
|---|---|
| Structure factors | 2019607.hkl |
| Original IUCr paper | HTML |
| Common name | ammonium <i>p</i>-arsanilate monohydrate |
|---|---|
| Chemical name | Ammonium 4-aminophenylarsonate monohydrate |
| Formula | C6 H13 As N2 O4 |
| Calculated formula | C6 H13 As N2 O4 |
| SMILES | [As](=O)([O-])(O)c1ccc(N)cc1.O.[NH4+] |
| Title of publication | The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid |
| Authors of publication | Smith, Graham; Wermuth, Urs D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 11.4287 ± 0.0018 Å |
| b | 12.068 ± 0.002 Å |
| c | 7.5427 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1040.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019607.cif 2019607.hkl |
| 180864 | 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 2/01/96. |
2019607.cif 2019607.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. |
2019607.cif 2019607.hkl |
| 118999 | 2014-07-05 | cif/ hkl/ Adding structures of 2019607, 2019608 via cif-deposit CGI script. |
2019607.cif 2019607.hkl |
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Users of the data should acknowledge the original authors of the
structural data.