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Information card for entry 1556905
Preview
| Coordinates | 1556905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H72 B F4 N5 O5 Pt |
|---|---|
| Calculated formula | C60 H72 B F4 N5 O5 Pt |
| SMILES | [B](F)(F)(F)[F-].c12ccc3c(c1)[Pt]1([n]4c3cccc4c3cccc(c4ccc(OCCOCCOCCOCCO2)cc4)[n]13)[n]1nn(c2cc(cc(C(C)(C)C)c2)C(C)(C)C)cc1c1cc(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 | 12.2375 ± 0.0001 Å |
| b | 14.6363 ± 0.0002 Å |
| c | 18.2789 ± 0.0002 Å |
| α | 81.118 ± 0.001° |
| β | 76.017 ± 0.001° |
| γ | 74.098 ± 0.001° |
| Cell volume | 3041.7 ± 0.06 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| 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. |
1556905.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. |
1556905.cif |
| 246454 | 2020-01-03 | cif/ Adding structures of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 via cif-deposit CGI script. |
1556905.cif |
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Users of the data should acknowledge the original authors of the
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