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Information card for entry 1548033
Preview
| Coordinates | 1548033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H6 N8 Zn |
|---|---|
| Calculated formula | C5 H6 N8 Zn |
| Title of publication | Efficient purification of ethene by an ethane-trapping metal-organic framework |
| Authors of publication | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 8697 |
| a | 9.6963 ± 0.0015 Å |
| b | 9.6963 ± 0.0015 Å |
| c | 20.126 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1638.7 ± 0.4 Å3 |
| Cell temperature | 195 ± 2 K |
| Ambient diffraction temperature | 195 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203158 (current) | 2017-11-14 | cif/ Adding structures of 1548033 via cif-deposit CGI script. |
1548033.cif |
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Users of the data should acknowledge the original authors of the
structural data.