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Information card for entry 4066765
Preview
| Coordinates | 4066765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 Bi N2 S3 |
|---|---|
| Calculated formula | C13 H19 Bi N2 S3 |
| SMILES | [Bi]123(SC(S1)=S)c1c(C[N]3(C)C)cccc1C[N]2(C)C |
| Title of publication | [2 + 2] Cycloaddition of Carbon Disulfide to NCN-Chelated†Organoantimony(III) and Organobismuth(III) Sulfides: Evidence for Terminal Sb−S and Bi−S Bonds in Solution‡ |
| Authors of publication | Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Černošková, Eva; Beneš, Ludvík; Proft, Frank de |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4486 |
| a | 11.8121 ± 0.0005 Å |
| b | 8.831 ± 0.0004 Å |
| c | 18.9362 ± 0.0009 Å |
| α | 90° |
| β | 121.873 ± 0.004° |
| γ | 90° |
| Cell volume | 1677.45 ± 0.15 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178559 (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 4/06/67. |
4066765.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066765.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066765.cif |
| 33976 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066765 via cif-deposit CGI script. |
4066765.cif |
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Users of the data should acknowledge the original authors of the
structural data.