Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567635
Preview
| Coordinates | 1567635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zn2(dobpdc)(ee-2)0.902(ee-2-CO2)0.690 |
|---|---|
| Formula | C24.24 H31.47 N3.18 O7.38 Zn2 |
| Calculated formula | C24.242 H31.472 N3.184 O7.788 Zn2 |
| Title of publication | A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas |
| Authors of publication | Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 21.5982 ± 0.001 Å |
| b | 21.5982 ± 0.001 Å |
| c | 6.9071 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2790.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277814 (current) | 2022-09-14 | cif/ Adding structures of 1567635 via cif-deposit CGI script. |
1567635.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.