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Information card for entry 1574778
Preview
| Coordinates | 1574778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C205.13 H211.99 Cl24 N33.58 O8.86 Pd12 |
|---|---|
| Calculated formula | C205.136 H211.991 Cl24 N33.583 O8.857 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 | 14.3167 ± 0.0003 Å |
| b | 52.183 ± 0.001 Å |
| c | 19.5516 ± 0.0004 Å |
| α | 90° |
| β | 91.168 ± 0.001° |
| γ | 90° |
| Cell volume | 14603.7 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93.15 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 | 0.1251 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.2171 |
| Weighted residual factors for all reflections included in the refinement | 0.2522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
1574778.cif |
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Users of the data should acknowledge the original authors of the
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