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Information card for entry 1564618
Preview
| Coordinates | 1564618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H101.5 B2 Cl3 F8 N12.5 O6.5 Pd |
|---|---|
| Calculated formula | C116 H101.5 B2 Cl3 F8 N12.5 O6.5 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 | 17.7205 ± 0.0009 Å |
| b | 25.5265 ± 0.0011 Å |
| c | 26.0308 ± 0.0014 Å |
| α | 90° |
| β | 106.153 ± 0.006° |
| γ | 90° |
| Cell volume | 11310 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1679 |
| Residual factor for significantly intense reflections | 0.0999 |
| Weighted residual factors for significantly intense reflections | 0.2861 |
| Weighted residual factors for all reflections included in the refinement | 0.3287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| 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. |
1564618.cif |
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