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Information card for entry 4109613
Preview
| Coordinates | 4109613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H120 F10 P4 Pt2 |
|---|---|
| Calculated formula | C112 H120 F10 P4 Pt2 |
| SMILES | C1#CC#CC#CC#CC#CC#C[Pt]2([P](c3ccccc3)(c3ccccc3)CCCCCCCCCCCCCCCCCCCC[P](c3ccccc3)(c3ccccc3)[Pt]1([P](c1ccccc1)(c1ccccc1)CCCCCCCCCCCCCCCCCCCC[P]2(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Directed Syntheses of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages via Alkene Metathesis |
| Authors of publication | Laura de Quadras; Eike B. Bauer; Wolfgang Mohr; James C. Bohling; Thomas B. Peters; José Miguel Martín-Alvarez; Frank Hampel; John A. Gladysz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 8296 - 8309 |
| a | 11.802 ± 0.0003 Å |
| b | 16.751 ± 0.0003 Å |
| c | 25.733 ± 0.0004 Å |
| α | 90° |
| β | 91.186 ± 0.0012° |
| γ | 90° |
| Cell volume | 5086.2 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178842 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96. |
4109613.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109613.cif |
| 58390 | 2012-05-28 | cif/ Adding structures of 4109613 via cif-deposit CGI script. |
4109613.cif |
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Users of the data should acknowledge the original authors of the
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