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Information card for entry 2020740
Preview
| Coordinates | 2020740.cif |
|---|---|
| Structure factors | 2020740.hkl |
| Original IUCr paper | HTML |
| Common name | 4-aminophenylarsonic acid hydrochloride |
|---|---|
| Chemical name | 4-Arsonoanilinium chloride |
| Formula | C6 H9 As Cl N O3 |
| Calculated formula | C6 H9 As Cl N O3 |
| SMILES | [As](O)(=O)(O)c1ccc([NH3+])cc1.[Cl-] |
| Title of publication | Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride |
| Authors of publication | Smith, Graham; Wermuth, Urs D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| a | 16.6534 ± 0.0008 Å |
| b | 7.4129 ± 0.0003 Å |
| c | 7.6073 ± 0.0004 Å |
| α | 90° |
| β | 97.795 ± 0.004° |
| γ | 90° |
| Cell volume | 930.44 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0342 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194123 (current) | 2017-03-09 | cif/ hkl/ Adding structures of 2020740, 2020741, 2020742, 2020743 via cif-deposit CGI script. |
2020740.cif 2020740.hkl |
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Users of the data should acknowledge the original authors of the
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