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Information card for entry 7247918
Preview
| Coordinates | 7247918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H14 Br3 Cd N |
|---|---|
| Calculated formula | C5 H14 Br3 Cd N |
| Title of publication | Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. |
| Authors of publication | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 5 |
| Pages of publication | 3974 - 3980 |
| a | 7.5549 ± 0.0002 Å |
| b | 16.4113 ± 0.0006 Å |
| c | 9.6428 ± 0.0003 Å |
| α | 90° |
| β | 100.365 ± 0.003° |
| γ | 90° |
| Cell volume | 1176.06 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289638 (current) | 2024-02-04 | cif/ Updating files of 7247917, 7247918, 7247919, 7247920, 7247921, 7247922 Original log message: Adding full bibliography for 7247917--7247922.cif. |
7247918.cif |
| 288573 | 2023-12-31 | cif/ Adding structures of 7247917, 7247918, 7247919, 7247920, 7247921, 7247922 via cif-deposit CGI script. |
7247918.cif |
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Users of the data should acknowledge the original authors of the
structural data.