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Information card for entry 1556347
Preview
| Coordinates | 1556347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 Cu6 O42 P3 |
|---|---|
| Calculated formula | C144 Cu6 O42 P3 |
| Title of publication | Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst |
| Authors of publication | Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 2623 |
| a | 17.5328 ± 0.0003 Å |
| b | 30.3514 ± 0.0005 Å |
| c | 49.1818 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26171.9 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 21 |
| Hermann-Mauguin space group symbol | C 2 2 2 |
| Hall space group symbol | C 2 2 |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1796 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244375 (current) | 2019-11-28 | cif/ Adding structures of 1556347, 1556348, 1556349 via cif-deposit CGI script. |
1556347.cif |
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Users of the data should acknowledge the original authors of the
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