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Information card for entry 4127129
Preview
| Coordinates | 4127129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C480 H528 Cl12 Cr12 N24 O105 Zr24 |
|---|---|
| Calculated formula | C480 H528 Cl12 Cr12 N24 O105 Zr24 |
| Title of publication | Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions. |
| Authors of publication | Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 34.2265 ± 0.0014 Å |
| b | 34.2265 ± 0.0014 Å |
| c | 83.822 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 85038 ± 6 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 7 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1963 |
| Residual factor for significantly intense reflections | 0.0965 |
| Weighted residual factors for significantly intense reflections | 0.249 |
| Weighted residual factors for all reflections included in the refinement | 0.3501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205981 (current) | 2018-02-01 | cif/ Adding structures of 4127129 via cif-deposit CGI script. |
4127129.cif |
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