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Information card for entry 4072009
Preview
| Coordinates | 4072009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Cl3 N4 O Pt |
|---|---|
| Calculated formula | C26 H21 Cl3 N4 O Pt |
| SMILES | [Pt]1(=C(N=C2N1C(=O)c1cc(Cl)c(Cl)cc21)Nc1c(C)cccc1C)(Cl)C#[N]c1c(C)cccc1C |
| Title of publication | Coupling between 3-Iminoisoindolin-1-ones and Complexed Isonitriles as a Metal-Mediated Route to a Novel Type of Palladium and Platinum Iminocarbene Species |
| Authors of publication | Luzyanin, Konstantin V.; Pombeiro, Armando J. L.; Haukka, Matti; Kukushkin, Vadim Yu. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5379 |
| a | 8.3009 ± 0.0003 Å |
| b | 12.4324 ± 0.0006 Å |
| c | 12.7236 ± 0.0007 Å |
| α | 74.722 ± 0.003° |
| β | 77.042 ± 0.003° |
| γ | 85.816 ± 0.003° |
| Cell volume | 1234.28 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0613 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| 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. |
4072009.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072009.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072009.cif |
| 44172 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072008, 4072009, 4072010 via cif-deposit CGI script. |
4072009.cif |
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Users of the data should acknowledge the original authors of the
structural data.