Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4517321
Preview
| Coordinates | 4517321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H35 Mn2 N3 O11 |
|---|---|
| Calculated formula | C38 H35 Mn2 N3 O11 |
| Title of publication | Microporous Metal-Organic Framework with a Completely Reversed Adsorption Relationship for C<sub>2</sub> Hydrocarbons at Room Temperature. |
| Authors of publication | Sun, Fang-Zhou; Yang, Shan-Qing; Krishna, Rajamani; Zhang, Ying-Hui; Xia, Yu-Pei; Hu, Tong-Liang |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 11.6212 ± 0.0001 Å |
| b | 13.0997 ± 0.0002 Å |
| c | 25.0298 ± 0.0003 Å |
| α | 90° |
| β | 97.156 ± 0.001° |
| γ | 90° |
| Cell volume | 3780.71 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247192 (current) | 2020-01-25 | cif/ Adding structures of 4517321 via cif-deposit CGI script. |
4517321.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.