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Information card for entry 1547342
Preview
| Coordinates | 1547342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | UMOP-1-NH2 |
|---|---|
| Formula | C116 H126 Cl6 N8 O40 Zr12 |
| Calculated formula | C108 H84 Cl6 N6 O40 Zr12 |
| Title of publication | Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization |
| Authors of publication | Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 36.748 ± 0.004 Å |
| b | 36.748 ± 0.004 Å |
| c | 36.748 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 49625 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.0968 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2723 |
| Weighted residual factors for all reflections included in the refinement | 0.3085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation wavelength | 0.70001 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201288 (current) | 2017-09-26 | cif/ Adding structures of 1547341, 1547342 via cif-deposit CGI script. |
1547342.cif |
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