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Information card for entry 1556900
Preview
| Coordinates | 1556900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H79 Cl2 N5 O6 Pt S |
|---|---|
| Calculated formula | C62 H79 Cl2 N5 O6 Pt S |
| SMILES | c12ccc(cc1)c1nc(c3cccc(c4ccc(OCCOCCOCCOCCO2)cc4)n3)ccc1.CC(C)(c1cc(c2[n](nn(c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c2)[Pt]([S](=O)(C)C)(Cl)Cl)cc(c1)C(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 | 26.7934 ± 0.0005 Å |
| b | 12.4321 ± 0.0003 Å |
| c | 39.1414 ± 0.0007 Å |
| α | 90° |
| β | 106.494 ± 0.002° |
| γ | 90° |
| Cell volume | 12501.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1556900.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. |
1556900.cif |
| 246454 | 2020-01-03 | cif/ Adding structures of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 via cif-deposit CGI script. |
1556900.cif |
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