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Information card for entry 7123922
Preview
| Coordinates | 7123922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H9 I3 N2 Pb |
|---|---|
| Calculated formula | C6.4998 H7.4994 I3 N2 Pb |
| Title of publication | Fluorination observed Tc increase of 110 K is challenging hydrogen-deuterium isotope effect |
| Authors of publication | Liu, Yu-Ling; Lu, Si-Qi; Tang, Yuan-Yuan; Chen, Xiao-Gang; Gao, Ji-Xing; Li, Hao-Jie; Xiong, Ren-Gen |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.6336 ± 0.0007 Å |
| b | 10.6336 ± 0.0007 Å |
| c | 8.1342 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 796.54 ± 0.09 Å3 |
| Cell temperature | 483 ± 2 K |
| Ambient diffraction temperature | 483 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217290 (current) | 2019-07-30 | cif/ Adding structures of 7123922, 7123923 via cif-deposit CGI script. |
7123922.cif |
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Users of the data should acknowledge the original authors of the
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