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Information card for entry 2241947
Preview
| Coordinates | 2241947.cif |
|---|---|
| Structure factors | 2241947.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Fluorobenzylammonium dihydrogen phosphate |
|---|---|
| Formula | C7 H11 F N O4 P |
| Calculated formula | C7 H11 F N O4 P |
| Title of publication | Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~ |
| Authors of publication | Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1812 - 1815 |
| a | 7.163 ± 0.0008 Å |
| b | 9.1309 ± 0.001 Å |
| c | 29.694 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1942.1 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.0774 |
| Weighted residual factors for significantly intense reflections | 0.1694 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.327 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188492 (current) | 2016-11-16 | cif/ hkl/ Adding structures of 2241947 via cif-deposit CGI script. |
2241947.cif 2241947.hkl |
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