Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4004010
Preview
| Coordinates | 4004010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Co N4 O4 |
|---|---|
| Calculated formula | C12 H10 Co N4 O4 |
| Title of publication | A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity |
| Authors of publication | Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 12.2 ± 0.002 Å |
| b | 6.783 ± 0.0014 Å |
| c | 10.707 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 886 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 34 |
| Hermann-Mauguin space group symbol | P n n 2 |
| Hall space group symbol | P 2 -2n |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1798 |
| Weighted residual factors for all reflections included in the refinement | 0.1895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.729 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267645 (current) | 2021-07-20 | cif/ Adding structures of 4004010 via cif-deposit CGI script. |
4004010.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.