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Information card for entry 1529221
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| Coordinates | 1529221.cif |
|---|---|
| Structure factors | 1529221.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | catena-bis(2-thiobarbiturato-O,S)-tetraaqua-strontium |
|---|---|
| Formula | C8 H14 N4 O8 S2 Sr |
| Calculated formula | C8 H14 N4 O8 S2 Sr |
| Title of publication | Calcium and strontium thiobarbiturates with discrete and polymeric structures |
| Authors of publication | Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor |
| Journal of publication | Journal of Coordination Chemistry |
| Year of publication | 2013 |
| Journal volume | 66 |
| Journal issue | 23 |
| Pages of publication | 4119 |
| a | 12.9753 ± 0.0008 Å |
| b | 7.2255 ± 0.0005 Å |
| c | 16.4338 ± 0.001 Å |
| α | 90° |
| β | 94.883 ± 0.001° |
| γ | 90° |
| Cell volume | 1535.13 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181862 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529221.cif 1529221.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. |
1529221.cif 1529221.hkl |
| 152341 | 2015-07-21 | cif/ hkl/ Adding structures of 1529221 via cif-deposit CGI script. |
1529221.cif 1529221.hkl |
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Users of the data should acknowledge the original authors of the
structural data.