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Information card for entry 4339989
Preview
| Coordinates | 4339989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H10 O10 Se2 |
|---|---|
| Calculated formula | C6 H10 O10 Se2 |
| SMILES | C12O[Se](OC1O[Se](O2)(=O)=O)(=O)=O.C1COCCO1 |
| Title of publication | Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid. |
| Authors of publication | Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 13 |
| Pages of publication | 6569 - 6577 |
| a | 11.9569 ± 0.0004 Å |
| b | 5.4306 ± 0.0001 Å |
| c | 17.4707 ± 0.0008 Å |
| α | 90° |
| β | 94.222 ± 0.005° |
| γ | 90° |
| Cell volume | 1131.35 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0129 |
| Residual factor for significantly intense reflections | 0.0124 |
| Weighted residual factors for significantly intense reflections | 0.0326 |
| Weighted residual factors for all reflections included in the refinement | 0.0327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179502 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99. |
4339989.cif |
| 121160 | 2014-08-05 | cif/ Updating files of 4339987, 4339988, 4339989, 4339990, 4339991, 4339992, 4339993, 4339994, 4339995, 4339996 Original log message: Adding full bibliography for 4339987--4339996.cif. |
4339989.cif |
| 117883 | 2014-06-19 | cif/ Adding structures of 4339987, 4339988, 4339989, 4339990, 4339991, 4339992, 4339993, 4339994, 4339995, 4339996 via cif-deposit CGI script. |
4339989.cif |
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Users of the data should acknowledge the original authors of the
structural data.