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Information card for entry 4128336
Preview
| Coordinates | 4128336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C130 H141 F12 Ir4 N16 O16.5 S4 |
|---|---|
| Calculated formula | C125 H125.5 F12 Ir4 N13.5 O12.5 S4 |
| Title of publication | Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot. |
| Authors of publication | Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 16057 - 16063 |
| a | 49.616 ± 0.002 Å |
| b | 15.5826 ± 0.0007 Å |
| c | 37.8111 ± 0.0016 Å |
| α | 90° |
| β | 106.495 ± 0.002° |
| γ | 90° |
| Cell volume | 28030 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221459 (current) | 2019-11-03 | cif/ Adding structures of 4128336 via cif-deposit CGI script. |
4128336.cif |
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Users of the data should acknowledge the original authors of the
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