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Information card for entry 7123864
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| Coordinates | 7123864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C332 H276 Cu24 N48 O68 |
|---|---|
| Calculated formula | C332 H276 Cu24 N48 O68 |
| 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 | 31.1697 ± 0.0013 Å |
| b | 31.1697 ± 0.0013 Å |
| c | 24.8716 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 24164 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 128 |
| Hermann-Mauguin space group symbol | P 4/m n c |
| Hall space group symbol | -P 4 2n |
| Residual factor for all reflections | 0.1381 |
| Residual factor for significantly intense reflections | 0.1017 |
| Weighted residual factors for significantly intense reflections | 0.2753 |
| Weighted residual factors for all reflections included in the refinement | 0.3158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7123864.cif |
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Users of the data should acknowledge the original authors of the
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