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Information card for entry 7120457
Preview
| Coordinates | 7120457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7.67 H2.89 Cu Fe0.06 N0.22 O7.18 S0.11 |
|---|---|
| Calculated formula | C7.65 H2.88 Cu Fe0.0558333 N0.33 O7.77083 S0.11 |
| Title of publication | Post-Synthetic Transformation of a Novel Zn(II) Polyhedral Coordination Network into a New Supramolecular Isomer of HKUST-1 |
| Authors of publication | Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael; Zhang, Zhenjie |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 18.51 ± 0.005 Å |
| b | 18.51 ± 0.005 Å |
| c | 30.287 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8987 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2743 |
| Weighted residual factors for all reflections included in the refinement | 0.3033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198766 (current) | 2017-07-18 | cif/ Adding structures of 7120457, 7120458 via cif-deposit CGI script. |
7120457.cif |
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