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Information card for entry 4514733
Preview
| Coordinates | 4514733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102.56 H52 F2 O34 Zr6 |
|---|---|
| Calculated formula | C102.56 H52 F2 O34 Zr6 |
| Title of publication | Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation |
| Authors of publication | Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 4 |
| Pages of publication | 3198 |
| a | 39.446 ± 0.002 Å |
| b | 39.446 ± 0.002 Å |
| c | 16.4166 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 22122 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2346 |
| Weighted residual factors for all reflections included in the refinement | 0.2736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219898 (current) | 2019-10-28 | cif/ Adding structures of 4514733 via cif-deposit CGI script. |
4514733.cif |
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Users of the data should acknowledge the original authors of the
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