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Information card for entry 4132486
Preview
| Coordinates | 4132486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H22 O16 Zr3 |
|---|---|
| Calculated formula | C44 H22 O16 Zr3 |
| Title of publication | Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks. |
| Authors of publication | Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 24 |
| Pages of publication | 7710 - 7715 |
| a | 22.327 ± 0.006 Å |
| b | 33.727 ± 0.009 Å |
| c | 20.888 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15729 ± 7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 65 |
| Hermann-Mauguin space group symbol | C m m m |
| Hall space group symbol | -C 2 2 |
| Residual factor for all reflections | 0.1429 |
| Residual factor for significantly intense reflections | 0.1085 |
| Weighted residual factors for significantly intense reflections | 0.3082 |
| Weighted residual factors for all reflections included in the refinement | 0.371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.632 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242459 (current) | 2019-11-26 | cif/ Adding structures of 4132486 via cif-deposit CGI script. |
4132486.cif |
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Users of the data should acknowledge the original authors of the
structural data.