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Information card for entry 1566162
Preview
| Coordinates | 1566162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C220 H102 B2 F8 N14 O16 Pd2 |
|---|---|
| Calculated formula | C220 H102 B2 F8 N14 O16 Pd2 |
| Title of publication | Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design |
| Authors of publication | Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 30.755 ± 0.006 Å |
| b | 16.741 ± 0.003 Å |
| c | 41.053 ± 0.008 Å |
| α | 90° |
| β | 108.2 ± 0.03° |
| γ | 90° |
| Cell volume | 20079 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1443 |
| Residual factor for significantly intense reflections | 0.1188 |
| Weighted residual factors for significantly intense reflections | 0.3434 |
| Weighted residual factors for all reflections included in the refinement | 0.3706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.665 |
| Diffraction radiation wavelength | 1.0332 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272259 (current) | 2022-01-27 | cif/ Adding structures of 1566161, 1566162, 1566163 via cif-deposit CGI script. |
1566162.cif |
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