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Information card for entry 7123865
Preview
| Coordinates | 7123865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H43.5 Mo2 N8.5 |
|---|---|
| Calculated formula | C39 H43.5 Mo2 N8.5 |
| Title of publication | Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages |
| Authors of publication | Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 16.0829 ± 0.0005 Å |
| b | 18.2035 ± 0.0006 Å |
| c | 19.6805 ± 0.0007 Å |
| α | 64.071 ± 0.001° |
| β | 82.325 ± 0.001° |
| γ | 89.997 ± 0.001° |
| Cell volume | 5124.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217085 (current) | 2019-07-17 | cif/ Adding structures of 7123863, 7123864, 7123865, 7123866 via cif-deposit CGI script. |
7123865.cif |
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Users of the data should acknowledge the original authors of the
structural data.