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Information card for entry 7247885
Preview
| Coordinates | 7247885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H30 Cl3 Cu N O6 |
|---|---|
| Calculated formula | C13.042 H30.084 Cl3 Cu N O6 |
| Title of publication | A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics. |
| Authors of publication | Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 9 |
| Pages of publication | 7269 - 7275 |
| a | 8.5399 ± 0.0004 Å |
| b | 10.3775 ± 0.0003 Å |
| c | 12.2132 ± 0.0006 Å |
| α | 82.772 ± 0.003° |
| β | 80.178 ± 0.004° |
| γ | 82.737 ± 0.003° |
| Cell volume | 1051.91 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.2148 |
| Weighted residual factors for all reflections included in the refinement | 0.2176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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