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Information card for entry 1550213
Preview
| Coordinates | 1550213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H32 Br4 O32 Zr6 |
|---|---|
| Calculated formula | C69 H32 Br4 O32 Zr6 |
| Title of publication | Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization |
| Authors of publication | Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 39.5745 ± 0.0012 Å |
| b | 39.5745 ± 0.0012 Å |
| c | 12.1936 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16538.4 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.07 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1435 |
| Weighted residual factors for all reflections included in the refinement | 0.1492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211873 (current) | 2018-11-10 | cif/ Adding structures of 1550212, 1550213 via cif-deposit CGI script. |
1550213.cif |
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Users of the data should acknowledge the original authors of the
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