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Information card for entry 1547971
Preview
| Coordinates | 1547971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H28 N9 O13 Zn3 |
|---|---|
| Calculated formula | C42 H18 N9 O13 Zn3 |
| Title of publication | An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials |
| Authors of publication | Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 13645 |
| a | 17.0539 ± 0.0004 Å |
| b | 17.0539 ± 0.0004 Å |
| c | 14.9837 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3774 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203060 (current) | 2017-11-10 | cif/ Adding structures of 1547971 via cif-deposit CGI script. |
1547971.cif |
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Users of the data should acknowledge the original authors of the
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