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Information card for entry 7708322
Preview
| Coordinates | 7708322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H88 Br2.63 I3.37 N12 O17 Pd3 S4 |
|---|---|
| Calculated formula | C84 H60 Br2.633 I3.367 N12 O12 Pd3 |
| 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 | 17.2568 ± 0.0007 Å |
| b | 22.2766 ± 0.0009 Å |
| c | 25.6771 ± 0.0011 Å |
| α | 90° |
| β | 93.894 ± 0.003° |
| γ | 90° |
| Cell volume | 9848.1 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1347 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7708322.cif |
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