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Information card for entry 7120458
Preview
| Coordinates | 7120458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | porphMOM-1 |
|---|---|
| Formula | C57.96 H27.95 Fe0.43 N3.58 O37.23 S1.73 Zn5.9 |
| Calculated formula | C57.98 H27.95 Fe0.435 N3.59 O37.295 S1.73 Zn5.9 |
| 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 | 34.304 ± 0.002 Å |
| b | 29.2049 ± 0.0019 Å |
| c | 18.7738 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18808 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1121 |
| Residual factor for significantly intense reflections | 0.0824 |
| Weighted residual factors for significantly intense reflections | 0.2413 |
| Weighted residual factors for all reflections included in the refinement | 0.2694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7120458.cif |
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