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Information card for entry 4071390
Preview
| Coordinates | 4071390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1-butyl-3-methyl-4-imidazolin-2-ylidene)(η^4^-cycloocta-1,5-diene) (thiocyanato-S)rhodium(I) |
|---|---|
| Formula | C17 H26 N3 Rh S |
| Calculated formula | C17 H26 N3 Rh S |
| SMILES | [Rh]123(=C4N(C=CN4C)CCCC)([CH]4=[CH]1CC[CH]2=[CH]3CC4)SC#N |
| Title of publication | Rhodium(I) N-Heterocyclic Carbene Complexes as Highly Selective Catalysts for 1-Hexene Hydroformylation |
| Authors of publication | Gil, Wojciech; Trzeciak, Anna M.; Ziółkowski, Józef J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4131 |
| a | 11.936 ± 0.003 Å |
| b | 8.874 ± 0.002 Å |
| c | 16.722 ± 0.005 Å |
| α | 90° |
| β | 97.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1757.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (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 4/07/13. |
4071390.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071390.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071390.cif |
| 43178 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071390 via cif-deposit CGI script. |
4071390.cif |
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Users of the data should acknowledge the original authors of the
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