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Information card for entry 4084835
Preview
| Coordinates | 4084835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C166 H140 F10 N2 O4 P4 Pt2 |
|---|---|
| Calculated formula | C166 H140 F10 N2 O4 P4 Pt2 |
| SMILES | [Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#CC#CC#CC#CC#CC#C[Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.O1c2ccc(c3nc4c5nc(ccc5ccc4cc3)c3ccc(OCCCCCCOc4ccc5ccc(OCCCCCC1)cc5c4)cc3)cc2.c1ccccc1.c1ccccc1 |
| Title of publication | Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles and Expanded Macrocycles |
| Authors of publication | Baranová, Zuzana; Amini, Hashem; Bhuvanesh, Nattamai; Gladysz, John A. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6746 |
| a | 13.214 ± 0.009 Å |
| b | 21.955 ± 0.016 Å |
| c | 24.747 ± 0.018 Å |
| α | 99.477 ± 0.007° |
| β | 104.268 ± 0.007° |
| γ | 90.432 ± 0.007° |
| Cell volume | 6854 ± 8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0908 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178737 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48. |
4084835.cif |
| 131493 | 2015-02-08 | cif/ Updating files of 4084834, 4084835 Original log message: Adding full bibliography for 4084834--4084835.cif. |
4084835.cif |
| 127755 | 2014-11-21 | cif/ Adding structures of 4084834, 4084835 via cif-deposit CGI script. |
4084835.cif |
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