Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056727
Preview
| Coordinates | 7056727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H60 Mn2 N12 O16 |
|---|---|
| Calculated formula | C42 H28 Mn2 N10 O9 |
| Title of publication | Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation? |
| Authors of publication | Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2017 |
| a | 10.108 ± 0.003 Å |
| b | 36.981 ± 0.01 Å |
| c | 15.237 ± 0.004 Å |
| α | 90° |
| β | 100.592 ± 0.005° |
| γ | 90° |
| Cell volume | 5599 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202540 (current) | 2017-11-03 | cif/ Adding structures of 7056726, 7056727 via cif-deposit CGI script. |
7056727.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.