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Information card for entry 1567103
Preview
| Coordinates | 1567103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H177.6 Cl24 N24 O4.46 Pd12 |
|---|---|
| Calculated formula | C174 H177.6 Cl24 N24 O4.46 Pd12 |
| Title of publication | Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks |
| Authors of publication | He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 14.2647 ± 0.0001 Å |
| b | 52.2312 ± 0.001 Å |
| c | 19.5113 ± 0.0003 Å |
| α | 90° |
| β | 91.295 ± 0.001° |
| γ | 90° |
| Cell volume | 14533.4 ± 0.4 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 | 0.1287 |
| Residual factor for significantly intense reflections | 0.1006 |
| Weighted residual factors for significantly intense reflections | 0.2805 |
| Weighted residual factors for all reflections included in the refinement | 0.3087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276005 (current) | 2022-06-14 | cif/ Adding structures of 1567103, 1567104, 1567105, 1567106, 1567107 via cif-deposit CGI script. |
1567103.cif |
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