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Information card for entry 2018920
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| Coordinates | 2018920.cif |
|---|---|
| Structure factors | 2018920.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28) |
|---|---|
| Formula | Fe H29 O22 S2 |
| Calculated formula | Fe H29 O22 S2 |
| SMILES | [Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].[OH2][H][OH2].O.O.O.O.O.O |
| Title of publication | Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate |
| Authors of publication | Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 330 - 333 |
| a | 12.0802 ± 0.0019 Å |
| b | 12.763 ± 0.0019 Å |
| c | 12.832 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1978.4 ± 0.5 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| 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 |
|---|---|---|---|
| 180858 (current) | 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 2/01/89. |
2018920.cif 2018920.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018920.cif 2018920.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018920.cif 2018920.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018920.cif 2018920.hkl |
| 85427 | 2013-05-07 | cif/ Adding structures of 2018919, 2018920 via cif-deposit CGI script. |
2018920.cif |
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Users of the data should acknowledge the original authors of the
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