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Information card for entry 4131905
Preview
| Coordinates | 4131905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C187 H112 F36 N12 O44 Y4 |
|---|---|
| Calculated formula | C187 H112 F36 N12 O44 Y4 |
| Title of publication | Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate. |
| Authors of publication | Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 10 |
| Pages of publication | 3683 - 3689 |
| a | 33.7309 ± 0.0006 Å |
| b | 32.1542 ± 0.0006 Å |
| c | 22.2394 ± 0.0004 Å |
| α | 90° |
| β | 101.685 ± 0.007° |
| γ | 90° |
| Cell volume | 23620.8 ± 1 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241997 (current) | 2019-11-25 | cif/ Adding structures of 4131905 via cif-deposit CGI script. |
4131905.cif |
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