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Information card for entry 1556902
Preview
| Coordinates | 1556902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H76 F6 N6 O6 Pt Sb |
|---|---|
| Calculated formula | C65 H76 F6 N6 O6 Pt Sb |
| SMILES | [F-][Sb](F)(F)(F)(F)F.c12[n]3[Pt]45(O)(c6c(c7cccc(c3ccc2)[n]47)ccc(c6)OCCOCCOCCOCCOc2ccc1cc2)[n]1c(cccc1c1cn(n[n]51)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(cc(C(C)(C)C)c1)C(C)(C)C |
| 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 | 11.78747 ± 0.00013 Å |
| b | 15.5279 ± 0.0002 Å |
| c | 22.4447 ± 0.0003 Å |
| α | 101.252 ± 0.0011° |
| β | 102.144 ± 0.001° |
| γ | 103.723 ± 0.001° |
| Cell volume | 3769.49 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1556902.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. |
1556902.cif |
| 246454 | 2020-01-03 | cif/ Adding structures of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 via cif-deposit CGI script. |
1556902.cif |
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Users of the data should acknowledge the original authors of the
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