Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134892
Preview
| Coordinates | 4134892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H112 Fe4 N4 O24 |
|---|---|
| Calculated formula | C120 H112 Fe4 N4 O24 |
| Title of publication | Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets. |
| Authors of publication | Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 16.696 ± 0.004 Å |
| b | 21.624 ± 0.005 Å |
| c | 16.696 ± 0.004 Å |
| α | 90° |
| β | 120° |
| γ | 90° |
| Cell volume | 5220 ± 2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.2383 |
| Residual factor for significantly intense reflections | 0.1765 |
| Weighted residual factors for significantly intense reflections | 0.3935 |
| Weighted residual factors for all reflections included in the refinement | 0.4497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251763 (current) | 2020-05-06 | cif/ Adding structures of 4134892 via cif-deposit CGI script. |
4134892.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.