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Information card for entry 7120860
Preview
| Coordinates | 7120860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 Br Cu N6 |
|---|---|
| Calculated formula | C8 H7 Br Cu N6 |
| Title of publication | From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions |
| Authors of publication | Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 28.521 ± 0.0007 Å |
| b | 28.521 ± 0.0007 Å |
| c | 9.6037 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6765.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202988 (current) | 2017-11-09 | cif/ Adding structures of 7120860, 7120861 via cif-deposit CGI script. |
7120860.cif |
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Users of the data should acknowledge the original authors of the
structural data.