Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132489
Preview
| Coordinates | 4132489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H28 O16 Zr3 |
|---|---|
| Calculated formula | C55 H28 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 | 23.1484 ± 0.0012 Å |
| b | 33.0429 ± 0.0017 Å |
| c | 20.6518 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15796.4 ± 1.4 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 | 0.1321 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2611 |
| Weighted residual factors for all reflections included in the refinement | 0.3141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.309 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242462 (current) | 2019-11-26 | cif/ Adding structures of 4132489 via cif-deposit CGI script. |
4132489.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.