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Information card for entry 1572872
Preview
| Coordinates | 1572872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H92 B3.5 F14 N12 Pd2 |
|---|---|
| Calculated formula | C168 H92 B3.5 F14 N12 Pd2 |
| Title of publication | London Dispersion driven Compaction of Coordination Cages in the Gas-phase – A combined Ion Mobility and Theoretical Study |
| Authors of publication | Drechsler, Christoph; Baksi, Ananya; Platzek, André; Acar, Mert; Holstein, Julian J.; Stein, Christopher Johannes; Clever, Guido H. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 25.58 ± 0.03 Å |
| b | 37.13 ± 0.03 Å |
| c | 38.88 ± 0.04 Å |
| α | 90° |
| β | 105.151 ± 0.012° |
| γ | 90° |
| Cell volume | 35644 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1964 |
| Residual factor for significantly intense reflections | 0.152 |
| Weighted residual factors for significantly intense reflections | 0.4177 |
| Weighted residual factors for all reflections included in the refinement | 0.4491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.678 |
| Diffraction radiation wavelength | 0.88561 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295481 (current) | 2024-10-15 | cif/ Adding structures of 1572872 via cif-deposit CGI script. |
1572872.cif |
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