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Information card for entry 7238019
Preview
| Coordinates | 7238019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H38 Br3 N O7 Zn |
|---|---|
| Calculated formula | C16 H37.995 Br3 N O7 Zn |
| Title of publication | Isostructural phase transition and tunable water rotation within a unique solid rotor system |
| Authors of publication | Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 42 |
| Pages of publication | 13176 |
| a | 14.018 ± 0.0012 Å |
| b | 14.018 ± 0.0012 Å |
| c | 11.1505 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1897.6 ± 0.4 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238841 (current) | 2019-11-24 | cif/ Adding structures of 7238019, 7238020 via cif-deposit CGI script. |
7238019.cif |
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Users of the data should acknowledge the original authors of the
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