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Information card for entry 4072033
Preview
| Coordinates | 4072033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H32 Cl N4 Rh |
|---|---|
| Calculated formula | C27 H32 Cl N4 Rh |
| SMILES | [Rh]123(Cl)(=C4N(N=CN4N4[C@@H](CC[C@H]4c4ccccc4)c4ccccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
| Title of publication | Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes |
| Authors of publication | Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4555 |
| a | 8.6322 ± 0.0002 Å |
| b | 16.3296 ± 0.0003 Å |
| c | 9.2517 ± 0.0002 Å |
| α | 90° |
| β | 109.21 ± 0.001° |
| γ | 90° |
| Cell volume | 1231.51 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0174 |
| Residual factor for significantly intense reflections | 0.0164 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072033.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072033.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072033.cif |
| 44186 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072033 via cif-deposit CGI script. |
4072033.cif |
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Users of the data should acknowledge the original authors of the
structural data.