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Information card for entry 1556904
Preview
| Coordinates | 1556904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H85 Ag F12 N6 O6 Pt Sb2 |
|---|---|
| Calculated formula | C69 H85 Ag F12 N6 O6 Pt Sb2 |
| SMILES | [F-][Sb](F)(F)(F)(F)F.CC(C)(C)c1cc(cc(c2cccc3c4cn(c5cc(cc(c5)C(C)(C)C)C(C)(C)C)n[n]4[Pt]45([n]6c7cccc6c6cccc(c8ccc(OCCOCCOCCOCCOc9ccc7c4c9)cc8)[n]56)[Ag]([O](CC)CC)[n]23)c1)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-] |
| Title of publication | Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour |
| Authors of publication | Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 1839 - 1847 |
| a | 18.7462 ± 0.0004 Å |
| b | 15.4022 ± 0.0003 Å |
| c | 27.6759 ± 0.0005 Å |
| α | 90° |
| β | 104.791 ± 0.002° |
| γ | 90° |
| Cell volume | 7726.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0984 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1755 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257361 (current) | 2020-10-06 | cif/ Updating files of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 Original log message: Adding full bibliography for 1556900--1556906.cif. |
1556904.cif |
| 248893 | 2020-03-05 | cif/ Updating files of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 Original log message: Adding full bibliography for 1556900--1556906.cif. |
1556904.cif |
| 246454 | 2020-01-03 | cif/ Adding structures of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 via cif-deposit CGI script. |
1556904.cif |
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Users of the data should acknowledge the original authors of the
structural data.