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Information card for entry 4312227
Preview
| Coordinates | 4312227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | yttrium potassium squarate hexahydrate |
|---|---|
| Formula | C24 H28 K2 O36 Y2 |
| Calculated formula | C24 H28 K2 O36 Y2 |
| SMILES | [Y]1(OC2C(=O)C(=O)C=2O[Y](OC2C(=O)C(=O)C=2O1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[K+].[K+].C1(=C(C(=O)C1=O)O)O.C1(=O)C(=O)C(=C1[O-])[O-].C1(=C(C(=O)C1=O)O)O.C1(=O)C(=O)C(=C1[O-])[O-] |
| Title of publication | Synthesis, Crystal Structure from Single-Crystal and Powder X-ray Diffraction Data, and Thermal Behavior of Mixed Potassium Lanthanide Squarates: Thermal Transformations of Layered [Ln(H2O)6]K(H2C4O4)(C4O4)2 into Pillared LnK(C4O4)2 (Ln = Y, La, Gd, Er) |
| Authors of publication | Nathalie Mahé; Thierry Bataille |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8379 - 8386 |
| a | 8.3341 ± 0.0002 Å |
| b | 37.7094 ± 0.0009 Å |
| c | 11.7195 ± 0.0003 Å |
| α | 90° |
| β | 90.3959 ± 0.0009° |
| γ | 90° |
| Cell volume | 3683.05 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0998 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1796 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187017 (current) | 2016-10-07 | Fixing some Z values and formulae in K compounds. |
4312227.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4312227.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312227.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312227.cif |
| 3732 | 2010-11-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4312227 via cif-deposit CGI script. |
4312227.cif |
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