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Information card for entry 4127733
Preview
| Coordinates | 4127733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H110 Cl6 N32 Ni4 O36 |
|---|---|
| Calculated formula | C128 H104 Cl6 N32 Ni4 O36 |
| Title of publication | Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation. |
| Authors of publication | Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 32 |
| Pages of publication | 12707 - 12716 |
| a | 20.0754 ± 0.0016 Å |
| b | 20.0754 ± 0.0016 Å |
| c | 22.1042 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8908.5 ± 1.2 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.1136 |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for significantly intense reflections | 0.2118 |
| Weighted residual factors for all reflections included in the refinement | 0.2277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220911 (current) | 2019-11-02 | cif/ Adding structures of 4127733 via cif-deposit CGI script. |
4127733.cif |
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Users of the data should acknowledge the original authors of the
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