Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4135124
Preview
| Coordinates | 4135124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C454 H486 Cu16 N34 O128 |
|---|---|
| Calculated formula | C454 H494 Cu16 N34 O128 |
| Title of publication | A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks. |
| Authors of publication | Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 24.473 ± 0.0006 Å |
| b | 27.0553 ± 0.0004 Å |
| c | 20.237 ± 0.0005 Å |
| α | 90° |
| β | 113.928 ± 0.003° |
| γ | 90° |
| Cell volume | 12247.8 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.2333 |
| Weighted residual factors for all reflections included in the refinement | 0.2458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254683 (current) | 2020-07-31 | cif/ Adding structures of 4135124 via cif-deposit CGI script. |
4135124.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.