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Information card for entry 4514076
Preview
| Coordinates | 4514076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H26 O16 Zr3 |
|---|---|
| Calculated formula | C46 H26 O16 Zr3 |
| Title of publication | Stable Zr(IV)-Based Metal-Organic Frameworks with Predesigned Functionalized Ligands for Highly Selective Detection of Fe(III) Ions in Water. |
| Authors of publication | Wang, Bin; Yang, Qi; Guo, Chao; Sun, Yuxiu; Xie, Lin-Hua; Li, Jian-Rong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 10286 - 10295 |
| a | 20.707 ± 0.0003 Å |
| b | 20.707 ± 0.0003 Å |
| c | 66.9823 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 28720.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 141 |
| Hermann-Mauguin space group symbol | I 41/a m d :2 |
| Hall space group symbol | -I 4bd 2 |
| Residual factor for all reflections | 0.1592 |
| Residual factor for significantly intense reflections | 0.102 |
| Weighted residual factors for significantly intense reflections | 0.2879 |
| Weighted residual factors for all reflections included in the refinement | 0.3244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194660 (current) | 2017-04-03 | cif/ Adding structures of 4514076, 4514077 via cif-deposit CGI script. |
4514076.cif |
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Users of the data should acknowledge the original authors of the
structural data.