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Information card for entry 4063929
Preview
| Coordinates | 4063929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 Cl N4 Pd |
|---|---|
| Calculated formula | C31 H29 Cl N4 Pd |
| SMILES | [Pd]1(C(N(C(=[NH]1)c1ccccc1)c1ccccc1)=Nc1c(C)cccc1C)(Cl)C#[N]c1c(C)cccc1C |
| Title of publication | Substituent R-Dependent Regioselectivity Switch in Nucleophilic Addition ofN-Phenylbenzamidine to PdII- and PtII-Complexed Isonitrile RN≡C Giving Aminocarbene-Like Species |
| Authors of publication | Tskhovrebov, Alexander G.; Luzyanin, Konstantin V.; Kuznetsov, Maxim L.; Sorokoumov, Viktor N.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 863 |
| a | 9.3036 ± 0.0004 Å |
| b | 11.6115 ± 0.0004 Å |
| c | 13.8205 ± 0.0005 Å |
| α | 79.648 ± 0.002° |
| β | 82.939 ± 0.002° |
| γ | 68.761 ± 0.002° |
| Cell volume | 1366.22 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178534 (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 4/06/39. |
4063929.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063929.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063929.cif |
| 32725 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063929, 4063930, 4063931 via cif-deposit CGI script. |
4063929.cif |
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Users of the data should acknowledge the original authors of the
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