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Information card for entry 7245277
Preview
| Coordinates | 7245277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H53 N5 Ni O20 |
|---|---|
| Calculated formula | C52 H53 N5 Ni O20 |
| Title of publication | Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange |
| Authors of publication | Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 20.708 ± 0.004 Å |
| b | 12.244 ± 0.002 Å |
| c | 22.873 ± 0.004 Å |
| α | 90° |
| β | 115.467 ± 0.002° |
| γ | 90° |
| Cell volume | 5235.9 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1786 |
| Residual factor for significantly intense reflections | 0.0926 |
| Weighted residual factors for significantly intense reflections | 0.2338 |
| Weighted residual factors for all reflections included in the refinement | 0.3093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277149 (current) | 2022-08-07 | cif/ Adding structures of 7245272, 7245273, 7245274, 7245275, 7245276, 7245277 via cif-deposit CGI script. |
7245277.cif |
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Users of the data should acknowledge the original authors of the
structural data.