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Information card for entry 7708321
Preview
| Coordinates | 7708321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C402 H386 B12 F48 N48 O68 Pd6 S7 |
|---|---|
| Calculated formula | C336 H240 B F4 N48 O48 Pd6 |
| Title of publication | Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions |
| Authors of publication | Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 31.903 ± 0.004 Å |
| b | 31.903 ± 0.004 Å |
| c | 31.903 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 32471 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 222 |
| Hermann-Mauguin space group symbol | P n -3 n :2 |
| Hall space group symbol | -P 4a 2bc 3 |
| Residual factor for all reflections | 0.2902 |
| Residual factor for significantly intense reflections | 0.207 |
| Weighted residual factors for significantly intense reflections | 0.4881 |
| Weighted residual factors for all reflections included in the refinement | 0.5498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.573 |
| Diffraction radiation wavelength | 0.85 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269195 (current) | 2021-09-18 | cif/ Adding structures of 7708317, 7708318, 7708319, 7708320, 7708321, 7708322 via cif-deposit CGI script. |
7708321.cif |
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