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Information card for entry 1550212
Preview
| Coordinates | 1550212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69.5 H32 N2 O36 Zr6 |
|---|---|
| Calculated formula | C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 |
| 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 | 19.6381 ± 0.0009 Å |
| b | 12.631 ± 0.0006 Å |
| c | 19.6354 ± 0.0009 Å |
| α | 90° |
| β | 119.994 ± 0.002° |
| γ | 90° |
| Cell volume | 4218.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 10 |
| Hermann-Mauguin space group symbol | P 1 2/m 1 |
| Hall space group symbol | -P 2y |
| Residual factor for all reflections | 0.132 |
| Residual factor for significantly intense reflections | 0.1254 |
| Weighted residual factors for significantly intense reflections | 0.3343 |
| Weighted residual factors for all reflections included in the refinement | 0.3384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211873 (current) | 2018-11-10 | cif/ Adding structures of 1550212, 1550213 via cif-deposit CGI script. |
1550212.cif |
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Users of the data should acknowledge the original authors of the
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