Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514258
Preview
| Coordinates | 4514258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H123 N17 O29 Zn4 |
|---|---|
| Calculated formula | C102 H123 N17 O29 Zn4 |
| Title of publication | Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption. |
| Authors of publication | Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 42 |
| Pages of publication | 37419 - 37434 |
| a | 15.1669 ± 0.0013 Å |
| b | 15.1542 ± 0.0013 Å |
| c | 32.47 ± 0.003 Å |
| α | 90° |
| β | 99.162 ± 0.004° |
| γ | 90° |
| Cell volume | 7367.8 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202550 (current) | 2017-11-04 | cif/ Adding structures of 4514258 via cif-deposit CGI script. |
4514258.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.