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Information card for entry 4031306
Preview
| Coordinates | 4031306.cif |
|---|---|
| Structure factors | 4031306.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Catena-(mu~4~-1,3-diethyl-2-thiobarbiturato-O,O',S,S)-silver(I) |
|---|---|
| Formula | C8 H11 Ag N2 O2 S |
| Calculated formula | C8 H11 Ag N2 O2 S |
| Title of publication | The crystal structure of Catena-(mu~4~-1,3-diethyl-2-thiobarbiturato-O,O',S,S)-silver(I) |
| Authors of publication | Golovnev, Nikolay; Molokeev, Maxim; Lutoshkin, Maxim |
| Journal of publication | Russian Journal of Inorganic Chemistry |
| Year of publication | 2015 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | 572 |
| a | 7.83392 ± 0.0002 Å |
| b | 15.49703 ± 0.00041 Å |
| c | 8.75018 ± 0.00024 Å |
| α | 90° |
| β | 111.916 ± 0.002° |
| γ | 90° |
| Cell volume | 985.53 ± 0.05 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor R(I) for significantly intense reflections | 3.69 |
| Goodness-of-fit parameter for all reflections | 2.569 |
| 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 |
|---|---|---|---|
| 294957 (current) | 2024-10-01 | Replaced the '_chemical_name_mineral' data item with the '_chemical_name_systematic' data item in entries 1529218, 4031304, 4031306. |
4031306.cif 4031306.hkl |
| 181927 | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/03. |
4031306.cif 4031306.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. |
4031306.cif 4031306.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. |
4031306.cif 4031306.hkl |
| 152356 | 2015-07-21 | cif/ hkl/ Adding structures of 4031306 via cif-deposit CGI script. |
4031306.cif 4031306.hkl |
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Users of the data should acknowledge the original authors of the
structural data.