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Information card for entry 1564617
Preview
| Coordinates | 1564617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C135 H110.5 B2 Cl8 F8 N10 O6 Pd |
|---|---|
| Calculated formula | C135 H110.5 B2 Cl8 F8 N10 O6 Pd |
| Title of publication | Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests |
| Authors of publication | Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.0137 ± 0.0002 Å |
| b | 27.1723 ± 0.0005 Å |
| c | 34.8441 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12321.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1069 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269116 (current) | 2021-09-14 | cif/ Adding structures of 1564616, 1564617, 1564618 via cif-deposit CGI script. |
1564617.cif |
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