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Information card for entry 2018068
Preview
| Coordinates | 2018068.cif |
|---|---|
| Structure factors | 2018068.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)] |
|---|---|
| Formula | Dy2 H4 O12 S3 |
| Calculated formula | Dy2 H4 O12 S3 |
| SMILES | [Dy][OH2].[Dy][OH2].S(=O)([O-])[O-].S(=O)([O-])[O-].S(=O)(=O)([O-])[O-] |
| Title of publication | Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound |
| Authors of publication | Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | i27 - i29 |
| a | 11.736 ± 0.003 Å |
| b | 6.801 ± 0.0016 Å |
| c | 12.793 ± 0.003 Å |
| α | 90° |
| β | 102.686 ± 0.002° |
| γ | 90° |
| Cell volume | 996.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (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 2/01/80. |
2018068.cif 2018068.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. |
2018068.cif 2018068.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018068.cif 2018068.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018068.cif 2018068.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018068.cif 2018068.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018068.cif 2018068.hkl |
| 20128 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018068 via cif-deposit CGI script. |
2018068.cif |
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Users of the data should acknowledge the original authors of the
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