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Information card for entry 4067819
Preview
| Coordinates | 4067819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H59 I N4 Pt |
|---|---|
| Calculated formula | C52 H59 I N4 Pt |
| SMILES | [Pt]12(c3c(C4=[N]1[C@@H](c1ccccc1)[C@@H](N4C1CCCCC1)c1ccccc1)cccc3C1=[N]2[C@H]([C@@H](N1C1CCCCC1)c1ccccc1)c1ccccc1)I.CCCC |
| Title of publication | A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes |
| Authors of publication | Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 3 |
| Pages of publication | 835 |
| a | 14.769 ± 0.003 Å |
| b | 16.384 ± 0.003 Å |
| c | 18.93 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4580.6 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178569 (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 4/06/78. |
4067819.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067819.cif |
| 37992 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067816, 4067817, 4067818, 4067819, 4067820, 4067821 via cif-deposit CGI script. |
4067819.cif |
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Users of the data should acknowledge the original authors of the
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