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Information card for entry 4068050
Preview
| Coordinates | 4068050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Br Cl2 N3 Pd |
|---|---|
| Calculated formula | C19 H22 Br Cl2 N3 Pd |
| SMILES | [Pd]1(=C2N(c3c(C)cc(C)cc3C)C=CN2c2[n]1cccc2)(Br)C.C(Cl)Cl |
| Title of publication | Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization |
| Authors of publication | Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 3 |
| Pages of publication | 976 |
| a | 7.7554 ± 0.0002 Å |
| b | 9.2465 ± 0.0003 Å |
| c | 15.3961 ± 0.0005 Å |
| α | 75.065 ± 0.003° |
| β | 79.798 ± 0.002° |
| γ | 88.517 ± 0.002° |
| Cell volume | 1049.67 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178506 (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 4/06/80. |
4068050.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068050.cif |
| 38068 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4068045, 4068046, 4068047, 4068048, 4068049, 4068050, 4068051 via cif-deposit CGI script. |
4068050.cif |
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Users of the data should acknowledge the original authors of the
structural data.