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Information card for entry 2019967
Preview
| Coordinates | 2019967.cif |
|---|---|
| Structure factors | 2019967.hkl |
| Original IUCr paper | HTML |
| Common name | (3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one |
|---|---|
| Chemical name | Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II) |
| Formula | C12 H21 N O3 Si |
| Calculated formula | C12 H21 N O3 Si |
| Title of publication | Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand |
| Authors of publication | Schwarzer, Anke; Fels, Sabine; Böhme, Uwe |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 511 - 516 |
| a | 7.787 ± 0.0003 Å |
| b | 8.1899 ± 0.0002 Å |
| c | 22.0975 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1409.26 ± 0.07 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019967.cif 2019967.hkl |
| 137549 | 2015-05-30 | cif/ hkl/ Adding structures of 2019967, 2019968, 2019969 via cif-deposit CGI script. |
2019967.cif 2019967.hkl |
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Users of the data should acknowledge the original authors of the
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