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Information card for entry 7134730
Preview
| Coordinates | 7134730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H108 Cl6 N24 Zn6 |
|---|---|
| Calculated formula | C108 H108 Cl6 N24 Zn6 |
| Title of publication | Parahydrogen-induced hyperpolarization of a Zn(II) complex using NMR signal amplification by reversible exchange (SABRE) |
| Authors of publication | Kim, Jisu; Jeong, Hye Jin; Min, Sein; Kim, Sara; Baek, Juhee; Kim, Jaelim; Lee, Eunsung; Oh, Sangwon; Jeong, Keunhong |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 15.458 ± 0.003 Å |
| b | 19.827 ± 0.004 Å |
| c | 22.137 ± 0.004 Å |
| α | 97.02 ± 0.03° |
| β | 106.2 ± 0.03° |
| γ | 99.82 ± 0.03° |
| Cell volume | 6316 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300106 (current) | 2025-06-18 | cif/ Adding structures of 7134730 via cif-deposit CGI script. |
7134730.cif |
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