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Information card for entry 2019608
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| Coordinates | 2019608.cif |
|---|---|
| Structure factors | 2019608.hkl |
| Original IUCr paper | HTML |
| Common name | sodium <i>p</i>-arsanilate trihydrate |
|---|---|
| Chemical name | <i>catena</i>-poly[[(4-aminophenylarsonato-κ<i>O</i>)diaquasodium]-μ-aqua] |
| Formula | C6 H13 As N Na O6 |
| Calculated formula | C6 H13 As N Na O6 |
| SMILES | [As](=O)([O-])(O)c1ccc(N)cc1.[Na+].O.O.O |
| 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 | 10.4069 ± 0.0013 Å |
| b | 13.641 ± 0.0017 Å |
| c | 7.7494 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1100.1 ± 0.2 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| 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. |
2019608.cif 2019608.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. |
2019608.cif 2019608.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. |
2019608.cif 2019608.hkl |
| 118999 | 2014-07-05 | cif/ hkl/ Adding structures of 2019607, 2019608 via cif-deposit CGI script. |
2019608.cif 2019608.hkl |
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Users of the data should acknowledge the original authors of the
structural data.