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Information card for entry 1546996
Preview
| Coordinates | 1546996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 Cd2 N20 |
|---|---|
| Calculated formula | C8 H8 Cd2 N20.0033 |
| Title of publication | Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment |
| Authors of publication | He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 18.6598 ± 0.0007 Å |
| b | 18.6598 ± 0.0007 Å |
| c | 18.6598 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6497.1 ± 0.4 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200507 (current) | 2017-09-12 | cif/ Adding structures of 1546996, 1546997, 1546998, 1546999, 1547000, 1547001, 1547002, 1547003, 1547004 via cif-deposit CGI script. |
1546996.cif |
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Users of the data should acknowledge the original authors of the
structural data.