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Information card for entry 4125459
Preview
| Coordinates | 4125459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120.33 H147.33 F12 N12 O41.33 Rh4 S4 |
|---|---|
| Calculated formula | C111.333 H110 F5 N12 O25.6667 Rh4 S1.66667 |
| Title of publication | Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings. |
| Authors of publication | Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 4 |
| Pages of publication | 1653 - 1660 |
| a | 23.8258 ± 0.0009 Å |
| b | 27.4343 ± 0.001 Å |
| c | 40.6296 ± 0.0016 Å |
| α | 93.922 ± 0.002° |
| β | 104.442 ± 0.002° |
| γ | 111.411 ± 0.002° |
| Cell volume | 23565.8 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 | 0.1647 |
| Residual factor for significantly intense reflections | 0.131 |
| Weighted residual factors for significantly intense reflections | 0.3683 |
| Weighted residual factors for all reflections included in the refinement | 0.4091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.488 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193499 (current) | 2017-03-04 | cif/ Updating files of 4125454, 4125455, 4125456, 4125457, 4125458, 4125459, 4125460, 4125461 Original log message: Adding full bibliography for 4125454--4125461.cif. |
4125459.cif |
| 192528 | 2017-03-01 | cif/ Adding structures of 4125459 via cif-deposit CGI script. |
4125459.cif |
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Users of the data should acknowledge the original authors of the
structural data.