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Information card for entry 7229275
Preview
| Coordinates | 7229275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.89 H21.07 N2.3 O6.5 Zn |
|---|---|
| Calculated formula | C17.879 H21.465 N2.293 O6.5 Zn |
| Title of publication | A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study |
| Authors of publication | Liu, Jian-Qiang; Kumar, Abhinav; Li, Baohong; Prasad, Rajendra; Batten, Stuart R.; Wu, Jian; Jin, Juncheng; He, Yongxiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.9954 ± 0.0014 Å |
| b | 16.749 ± 0.002 Å |
| c | 15.358 ± 0.002 Å |
| α | 90° |
| β | 107.444 ± 0.002° |
| γ | 90° |
| Cell volume | 2452.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1166 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201672 (current) | 2017-10-04 | cif/ Adding structures of 7229275 via cif-deposit CGI script. |
7229275.cif |
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