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Information card for entry 8103018
Preview
| Coordinates | 8103018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Potassium Hexa-Aquamagnesium(II) Selenate |
|---|---|
| Formula | H12 K2 Mg O14 Se2 |
| Calculated formula | H12 K2 Mg O14 Se2 |
| Title of publication | Crystal structure of Tutton's salts K2[MII(H2O)6](SeO4)2, MII = Co, Ni, Zn and refinement of the crystal structure of potassium hexaaquamagnesium(II) selenate, K2[Mg(H2O)6](SeO4)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 | 3 |
| Pages of publication | 351 |
| a | 9.264 ± 0.0011 Å |
| b | 12.4207 ± 0.0014 Å |
| c | 6.2514 ± 0.0008 Å |
| α | 90° |
| β | 104.286 ± 0.01° |
| γ | 90° |
| Cell volume | 697.08 ± 0.15 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 | 0.0218 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0336 |
| Weighted residual factors for all reflections included in the refinement | 0.0345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287901 (current) | 2023-11-30 | cif/8/10/30/ Changed data name '_exptl_special_details:' to '_exptl_special_details' in entries 8103018, 8103026. |
8103018.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103018.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
8103018.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8103018.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103018.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
8103018.cif |
| 13757 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8103018 via cif-deposit CGI script. |
8103018.cif |
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Users of the data should acknowledge the original authors of the
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