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Information card for entry 7245749
Preview
| Coordinates | 7245749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H28 O33 Zn6 |
|---|---|
| Calculated formula | C60 H27.9997 O32.9999 Zn6 |
| Title of publication | A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties |
| Authors of publication | Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 16.5095 ± 0.0007 Å |
| b | 16.5095 ± 0.0007 Å |
| c | 24.5306 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5790.4 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 159 |
| Hermann-Mauguin space group symbol | P 3 1 c |
| Hall space group symbol | P 3 -2c |
| Residual factor for all reflections | 0.1441 |
| Residual factor for significantly intense reflections | 0.0983 |
| Weighted residual factors for significantly intense reflections | 0.2551 |
| Weighted residual factors for all reflections included in the refinement | 0.2831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278905 (current) | 2022-11-02 | cif/ Adding structures of 7245749 via cif-deposit CGI script. |
7245749.cif |
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