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Information card for entry 1551045
Preview
| Coordinates | 1551045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C324 H240 Cu12 N12 O108 Zn12 |
|---|---|
| Calculated formula | C324 H144 Cu12 N12 O108 Zn12 |
| Title of publication | Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms |
| Authors of publication | Lee, Jiyoung; Choi, Jae Sun; Jeong, Nak Cheon; Choe, Wonyoung |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 46.455 ± 0.005 Å |
| b | 46.455 ± 0.005 Å |
| c | 46.455 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 100253 ± 19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0971 |
| Residual factor for significantly intense reflections | 0.0801 |
| Weighted residual factors for significantly intense reflections | 0.2707 |
| Weighted residual factors for all reflections included in the refinement | 0.2888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.298 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215155 (current) | 2019-05-15 | cif/ Adding structures of 1551045 via cif-deposit CGI script. |
1551045.cif |
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