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Information card for entry 2241434
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| Coordinates | 2241434.cif |
|---|---|
| Structure factors | 2241434.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Potassium hexaphosphitopentaferrate(II,III) hemihydrate |
|---|---|
| Formula | Fe5 H7 K0.75 O18.5 P6 |
| Calculated formula | Fe5 H6 K0.75 O18.5 P6 |
| Title of publication | Crystal structure of K~0.75~[Fe^II^~3.75~Fe^III^~1.25~(HPO~3~)~6~]·0.5H~2~O, an open-framework iron phosphite with mixed-valent Fe^II^/Fe^III^ ions |
| Authors of publication | Larrea, Edurne S.; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 63 - 65 |
| a | 10.1567 ± 0.0005 Å |
| b | 10.1567 ± 0.0005 Å |
| c | 9.2774 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 828.82 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0271 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241434.cif 2241434.hkl |
| 176648 | 2016-02-17 | cif/ Updating files of 2241434 Original log message: Adding full bibliography for 2241434.cif. |
2241434.cif 2241434.hkl |
| 176595 | 2016-02-17 | cif/ Updating files of 2241434 Original log message: Adding full bibliography for 2241434.cif. |
2241434.cif 2241434.hkl |
| 171645 | 2015-12-20 | cif/ hkl/ Adding structures of 2241434 via cif-deposit CGI script. |
2241434.cif 2241434.hkl |
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