Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120668
Preview
| Coordinates | 7120668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | LIFM-94 |
|---|---|
| Formula | C104 H76 N12 O34 Zr6 |
| Calculated formula | C104 H76 N12 O34 Zr6 |
| Title of publication | Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification |
| Authors of publication | Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 23.0742 ± 0.0004 Å |
| b | 23.0742 ± 0.0004 Å |
| c | 18.6187 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9912.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 131 |
| Hermann-Mauguin space group symbol | P 42/m m c |
| Hall space group symbol | -P 4c 2 |
| Residual factor for all reflections | 0.1265 |
| Residual factor for significantly intense reflections | 0.0926 |
| Weighted residual factors for significantly intense reflections | 0.2422 |
| Weighted residual factors for all reflections included in the refinement | 0.2878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201000 (current) | 2017-09-19 | cif/ Adding structures of 7120668, 7120669, 7120670 via cif-deposit CGI script. |
7120668.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.