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Information card for entry 4125090
Preview
| Coordinates | 4125090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H54 N4 Ni O32 Zr6 |
|---|---|
| Calculated formula | C102.72 H49.86 N4.08 Ni1.02 O30.08 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 | 20.069 ± 0.003 Å |
| b | 20.069 Å |
| c | 18.917 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6598.3 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1475 |
| Residual factor for significantly intense reflections | 0.1458 |
| Weighted residual factors for significantly intense reflections | 0.2875 |
| Weighted residual factors for all reflections included in the refinement | 0.2887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183013 (current) | 2016-05-19 | cif/ Adding structures of 4125089, 4125090 via cif-deposit CGI script. |
4125090.cif |
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