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Information card for entry 2011838
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| Coordinates | 2011838.cif |
|---|---|
| Structure factors | 2011838.hkl |
| Original IUCr paper | HTML |
| Chemical name | n-heptylammonium dihydrogenarsenate |
|---|---|
| Formula | C7 H20 As N O4 |
| Calculated formula | C7 H20 As N O4 |
| Title of publication | Ferroelastic <i>n</i>-heptylammonium dihydrogenarsenate |
| Authors of publication | Fábry, Jan; Krupková, Radmila; Císařová, Ivana |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 403 - 405 |
| a | 9.3261 ± 0.0003 Å |
| b | 32.34003 ± 0.00014 Å |
| c | 7.5005 ± 0.0003 Å |
| α | 90° |
| β | 90.595 ± 0.002° |
| γ | 90° |
| Cell volume | 2262.08 ± 0.12 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0532 |
| Goodness-of-fit parameter for all reflections | 1.46 |
| Goodness-of-fit parameter for significantly intense reflections | 1.92 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.46 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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