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Information card for entry 2021440
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| Coordinates | 2021440.cif |
|---|---|
| Structure factors | 2021440.hkl |
| Original IUCr paper | HTML |
| Common name | <i>o</i>-Anisidinium dihydroarsenate |
|---|---|
| Chemical name | 2-Methoxyanilinium dihydrogen arsenate |
| Formula | C7 H12 As N O5 |
| Calculated formula | C7 H12 As N O5 |
| Title of publication | Crystallographic and computational studies of a new organoarsenate compound: <i>o</i>-anisidinium dihydroarsenate |
| Authors of publication | Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| a | 5.5235 ± 0.0002 Å |
| b | 9.4385 ± 0.0004 Å |
| c | 10.4633 ± 0.0005 Å |
| α | 70.769 ± 0.004° |
| β | 75.984 ± 0.004° |
| γ | 89.624 ± 0.003° |
| Cell volume | 498.12 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213221 (current) | 2019-01-19 | cif/ hkl/ Adding structures of 2021440 via cif-deposit CGI script. |
2021440.cif 2021440.hkl |
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