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Information card for entry 4068581
Preview
| Coordinates | 4068581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H39 Cl5 N6 O2 Pt |
|---|---|
| Calculated formula | C21 H39 Cl5 N6 O2 Pt |
| SMILES | [Pt](Cl)(Cl)([N]1[C@H]2NC(C)(C)C(N2OC=1CC)(C)C)[N]1[C@H]2NC(C)(C)C(N2OC=1CC)(C)C.ClC(Cl)Cl.[Pt](Cl)(Cl)([N]1[C@@H]2NC(C)(C)C(N2OC=1CC)(C)C)[N]1[C@@H]2NC(C)(C)C(N2OC=1CC)(C)C.ClC(Cl)Cl |
| Title of publication | Platinum(II)-Complexed Tetrahydroimidazo[1,2-b][1,2,4]oxadiazoles Derived from Metal-Mediated 1,3-Dipolar Cycloaddition. Novel Type of Heterocycles, Which Do Not Exist without the Metal Center |
| Authors of publication | Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Haukka, Matti; Ovcharenko, Victor I.; Tretyakov, Eugeny V.; Kukushkin, Vadim Yu. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 1406 |
| a | 12.0865 ± 0.0004 Å |
| b | 18.0985 ± 0.0004 Å |
| c | 14.3262 ± 0.0004 Å |
| α | 90° |
| β | 110.278 ± 0.002° |
| γ | 90° |
| Cell volume | 2939.59 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178575 (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 4/06/85. |
4068581.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068581.cif |
| 39886 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068579, 4068580, 4068581, 4068582 via cif-deposit CGI script. |
4068581.cif |
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Users of the data should acknowledge the original authors of the
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