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Information card for entry 1529235
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| Coordinates | 1529235.cif |
|---|---|
| Structure factors | 1529235.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(oxoneodymium) Sulfate(VI) |
|---|---|
| Formula | Nd2 O6 S |
| Calculated formula | Nd2 O6 S |
| SMILES | [Nd+3].[Nd+3].S(=O)(=O)([O-])[O-].[O-2].[O-2] |
| Title of publication | Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4 |
| Authors of publication | Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor |
| Journal of publication | Journal of Coordination Chemistry |
| Year of publication | 2015 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | 1865 |
| a | 4.11991 ± 0.00035 Å |
| b | 4.22332 ± 0.00038 Å |
| c | 13.349 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 232.27 ± 0.04 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 23 |
| Hermann-Mauguin space group symbol | I 2 2 2 |
| Hall space group symbol | I 2 2 |
| Residual factor R(I) for significantly intense reflections | 2.46 |
| Goodness-of-fit parameter for all reflections | 1.207 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~~2~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205493 (current) | 2018-01-23 | cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files. |
1529235.cif 1529235.hkl |
| 181862 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529235.cif 1529235.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1529235.cif 1529235.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529235.cif 1529235.hkl |
| 152362 | 2015-07-21 | cif/ hkl/ Adding structures of 1529235 via cif-deposit CGI script. |
1529235.cif 1529235.hkl |
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Users of the data should acknowledge the original authors of the
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