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Information card for entry 1574776
Preview
| Coordinates | 1574776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C189.15 H185.84 Cl24 N29.26 O3.62 Pd12 |
|---|---|
| Calculated formula | C189.102 H185.79 Cl24 N29.252 O3.611 Pd12 |
| Title of publication | Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework |
| Authors of publication | Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 14.31918 ± 0.00016 Å |
| b | 51.9317 ± 0.0008 Å |
| c | 19.4811 ± 0.0002 Å |
| α | 90° |
| β | 91.266 ± 0.001° |
| γ | 90° |
| Cell volume | 14483 ± 0.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.2748 |
| Weighted residual factors for all reflections included in the refinement | 0.2836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299908 (current) | 2025-06-03 | cif/ Adding structures of 1574776, 1574777, 1574778, 1574779 via cif-deposit CGI script. |
1574776.cif |
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