Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550987
Preview
| Coordinates | 1550987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H42 N2 O40 Zr6 |
|---|---|
| Calculated formula | C64 H16 N2 O36 Zr6 |
| Title of publication | Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations |
| Authors of publication | Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 14.955 ± 0.002 Å |
| b | 14.955 ± 0.002 Å |
| c | 26.077 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5832.2 ± 1.6 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1923 |
| Weighted residual factors for all reflections included in the refinement | 0.1995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214980 (current) | 2019-05-08 | cif/ Adding structures of 1550985, 1550986, 1550987, 1550988, 1550989, 1550990 via cif-deposit CGI script. |
1550987.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.