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Information card for entry 8103013
Preview
| Coordinates | 8103013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Potassium Hexa-Aquairon(II) sulfate |
|---|---|
| Formula | Fe H12 K2 O14 S2 |
| Calculated formula | Fe H12 K2 O14 S2 |
| Title of publication | Refinement of the crystal structure of potassium hexaaquairon(II) sulfate, K2[Fe(H2O)6](SO4)2 and potassium hexaaquazinc(II) sulfate, K2[Zn(H2O)6](SO4)2 |
| Authors of publication | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 2 |
| Pages of publication | 171 |
| a | 9.0651 ± 0.001 Å |
| b | 12.252 ± 0.001 Å |
| c | 6.1646 ± 0.0005 Å |
| α | 90° |
| β | 104.536 ± 0.007° |
| γ | 90° |
| Cell volume | 662.76 ± 0.11 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8103013.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103013.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
8103013.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103013.cif |
| 13752 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8103013 via cif-deposit CGI script. |
8103013.cif |
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Users of the data should acknowledge the original authors of the
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