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Information card for entry 4126202
Preview
| Coordinates | 4126202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H38 Cl3 N O7 Zn |
|---|---|
| Calculated formula | C16 H38.0001 Cl3 N O7 Zn |
| Title of publication | Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds. |
| Authors of publication | Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 13.9622 ± 0.0007 Å |
| b | 13.9622 ± 0.0007 Å |
| c | 11.1895 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1889.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197713 (current) | 2017-06-10 | cif/ Adding structures of 4126202 via cif-deposit CGI script. |
4126202.cif |
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