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Information card for entry 2108550
Preview
| Coordinates | 2108550.cif |
|---|---|
| Structure factors | 2108550.hkl |
| Original paper (by DOI) | HTML |
| Formula | C5 H15 Fe N2 O12 S2 |
|---|---|
| Calculated formula | C5 H15 Fe N2 O12 S2 |
| Title of publication | The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] |
| Authors of publication | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 12.1601 ± 0.0003 Å |
| b | 17.2511 ± 0.0003 Å |
| c | 6.7758 ± 0.0002 Å |
| α | 90° |
| β | 100.715 ± 0.002° |
| γ | 90° |
| Cell volume | 1396.61 ± 0.06 Å3 |
| Cell temperature | 244.9 ± 0.2 K |
| Ambient diffraction temperature | 244.9 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for significantly intense reflections | 1.68 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.34 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231198 (current) | 2019-11-22 | cif/ hkl/ Adding structures of 2108550, 2108551, 2108552 via cif-deposit CGI script. |
2108550.cif 2108550.hkl |
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Users of the data should acknowledge the original authors of the
structural data.