Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129304
Preview
| Coordinates | 4129304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H120 O3 |
|---|---|
| Calculated formula | C81 H120 O3 |
| Title of publication | Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks. |
| Authors of publication | Liu, Lujia; Telfer, Shane G. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 11 |
| Pages of publication | 3901 - 3909 |
| a | 11.1927 ± 0.0002 Å |
| b | 15.03 ± 0.0003 Å |
| c | 22.5983 ± 0.0016 Å |
| α | 100.2 ± 0.007° |
| β | 101.975 ± 0.007° |
| γ | 96.601 ± 0.007° |
| Cell volume | 3614.4 ± 0.3 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.2505 |
| Weighted residual factors for all reflections included in the refinement | 0.302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240049 (current) | 2019-11-25 | cif/ Adding structures of 4129304 via cif-deposit CGI script. |
4129304.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.