Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701452
Preview
| Coordinates | 7701452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H58 Cu4 N4 O26 |
|---|---|
| Calculated formula | C40 H18 Cu4 O20 |
| Title of publication | Rational construction and remarkable gas adsorption properties of a HKUST-1-like tbo-type MOF based on a tetraisophthalate linker |
| Authors of publication | Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; Yu, Honggui; Wang, Yingjie; He, Yabing |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 19.0416 ± 0.001 Å |
| b | 19.0416 ± 0.001 Å |
| c | 18.643 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6759.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220526 (current) | 2019-10-30 | cif/ Adding structures of 7701452 via cif-deposit CGI script. |
7701452.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.