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Information card for entry 4079333
Preview
| Coordinates | 4079333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 B N9 Ru S |
|---|---|
| Calculated formula | C20 H28 B N9 Ru S |
| SMILES | [Ru]12([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)(N=C=S)(C#[N]C(C)(C)C)C#[N]C(C)(C)C |
| Title of publication | Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media |
| Authors of publication | Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 19 |
| Pages of publication | 6887 |
| a | 11.0468 ± 0.0001 Å |
| b | 14.3383 ± 0.0002 Å |
| c | 16.6963 ± 0.0003 Å |
| α | 90° |
| β | 105.738 ± 0.001° |
| γ | 90° |
| Cell volume | 2545.43 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178682 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/93. |
4079333.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079333.cif |
| 72404 | 2013-01-21 | cif/ Adding structures of 4079330, 4079331, 4079332, 4079333, 4079334, 4079335, 4079336, 4079337, 4079338, 4079339 via cif-deposit CGI script. |
4079333.cif |
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Users of the data should acknowledge the original authors of the
structural data.