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Information card for entry 7123923
Preview
| Coordinates | 7123923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H14 F I3 N2 Pb |
|---|---|
| Calculated formula | C7 H14 F 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 | 17.4558 ± 0.0005 Å |
| b | 8.0494 ± 0.0002 Å |
| c | 21.4892 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3019.42 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217290 (current) | 2019-07-30 | cif/ Adding structures of 7123922, 7123923 via cif-deposit CGI script. |
7123923.cif |
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Users of the data should acknowledge the original authors of the
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