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Information card for entry 4109601
Preview
| Coordinates | 4109601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H112 F10 P4 Pt2 |
|---|---|
| Calculated formula | C104 H112 F10 P4 Pt2 |
| SMILES | [Pt]12([P](CCCCCCCCCCCCCC[P]([Pt]([P](CCCCCCCCCCCCCC[P]2(c2ccc(cc2)C)c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)(C#CC#CC#CC#C1)c1c(F)c(F)c(F)c(F)c1F)(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | sp Carbon Chains Surrounded by sp3 Carbon Double Helices: Coordination-Driven Self-Assembly of Wirelike Pt(C\τbC)nPt Moieties That Are Spanned by Two P(CH2)mP Linkages |
| Authors of publication | Jürgen Stahl; Wolfgang Mohr; Laura de Quadras; Thomas B. Peters; James C. Bohling; José Miguel Martín-Alvarez; Gareth R. Owen; Frank Hampel; John A. Gladysz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 8282 - 8295 |
| a | 15.2004 ± 0.0003 Å |
| b | 16.8315 ± 0.0003 Å |
| c | 19.6584 ± 0.0004 Å |
| α | 82.548 ± 0.001° |
| β | 87.58 ± 0.001° |
| γ | 70.936 ± 0.001° |
| Cell volume | 4713.52 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
4109601.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109601.cif |
| 58378 | 2012-05-28 | cif/ Adding structures of 4109601 via cif-deposit CGI script. |
4109601.cif |
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