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Information card for entry 4066441
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| Coordinates | 4066441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 9 |
|---|---|
| Chemical name | 1,3-Bis[((trifluoromethanesulfonato)dimethylsilyl)methyl]-5,5-dimethylpyrimidine-2,4,6-trione |
| Formula | C14 H22 F6 N2 O9 S2 Si2 |
| Calculated formula | C14 H22 F6 N2 O9 S2 Si2 |
| Title of publication | Dinuclear Silicon Complexes of Uracil, Barbituric Acid, and 5,5-Dimethylbarbituric Acid: Hydrolytic Formation of Cyclic Oligomers(1)† |
| Authors of publication | Kertsnus-Banchik, Evgenia; Gostevskii, Boris; Botoshansky, Mark; Kalikhman, Inna; Kost, Daniel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5435 |
| a | 15.212 ± 0.003 Å |
| b | 12.222 ± 0.002 Å |
| c | 15.921 ± 0.003 Å |
| α | 90° |
| β | 117.75 ± 0.003° |
| γ | 90° |
| Cell volume | 2619.6 ± 0.8 Å3 |
| Cell temperature | 240 ± 1 K |
| Ambient diffraction temperature | 240 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1204 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1883 |
| Weighted residual factors for all reflections included in the refinement | 0.2135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178556 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64. |
4066441.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066441.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066441.cif |
| 33891 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066440, 4066441 via cif-deposit CGI script. |
4066441.cif |
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