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Information card for entry 2019443
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| Coordinates | 2019443.cif |
|---|---|
| Structure factors | 2019443.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexapotassium octairon(II,III) dodecaphosphonate |
|---|---|
| Formula | Fe8.27 H12 K6 O36 P12 |
| Calculated formula | Fe8.271 H12 K6 O36 P12 |
| Title of publication | K~6~[Fe~8.27~(HPO~3~)~12~]: a new mixed-valence iron phosphite |
| Authors of publication | Hamchaoui, Farida; Alonzo, Véronique; Rebbah, Houria; Le Fur, Eric |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 351 - 354 |
| a | 5.3822 ± 0.0001 Å |
| b | 5.3822 ± 0.0001 Å |
| c | 34.6521 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 869.32 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019443.cif 2019443.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019443.cif 2019443.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019443.cif 2019443.hkl |
| 108740 | 2014-04-03 | cif/ hkl/ Adding structures of 2019443 via cif-deposit CGI script. |
2019443.cif 2019443.hkl |
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Users of the data should acknowledge the original authors of the
structural data.