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Information card for entry 7042852
Preview
| Coordinates | 7042852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 N4 O4 Zn |
|---|---|
| Calculated formula | C40 H32 N4 O4 Zn |
| Title of publication | Post-cycloaddition modification of a porous MOF for improved GC separation of ethanol and water |
| Authors of publication | Zhang, Ya-Jun; Chen, Cheng; Ji, Min; Cai, Li-Xuan; Tan, Bin; Yang, Xiao-Dong; Zhang, Jie |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 24.6587 ± 0.0009 Å |
| b | 24.8939 ± 0.0007 Å |
| c | 22.327 ± 0.0008 Å |
| α | 90° |
| β | 111.555 ± 0.004° |
| γ | 90° |
| Cell volume | 12747 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1221 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.2371 |
| Weighted residual factors for all reflections included in the refinement | 0.2595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195900 (current) | 2017-05-03 | cif/ Adding structures of 7042852 via cif-deposit CGI script. |
7042852.cif |
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