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Information card for entry 4125089
Preview
| Coordinates | 4125089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H54 O38 S3 Zr6 |
|---|---|
| Calculated formula | C96 H54 O38 S3 Zr6 |
| Title of publication | Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability. |
| Authors of publication | Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang; Chen, Ying-Pin; Wang, Xuan; Zhang, Qiang; Zhou, Hong-Cai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| a | 20.096 ± 0.014 Å |
| b | 20.096 Å |
| c | 16.372 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5726 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.2041 |
| Residual factor for significantly intense reflections | 0.1396 |
| Weighted residual factors for significantly intense reflections | 0.2813 |
| Weighted residual factors for all reflections included in the refinement | 0.3253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183013 (current) | 2016-05-19 | cif/ Adding structures of 4125089, 4125090 via cif-deposit CGI script. |
4125089.cif |
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