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Information card for entry 4135125
Preview
| Coordinates | 4135125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H23 Cu2 N O10 |
|---|---|
| Calculated formula | C39 H20 Cu2 N O12 |
| 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 | 28.6889 ± 0.0003 Å |
| b | 21.166 ± 0.0002 Å |
| c | 14.4751 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8789.7 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| 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 |
|---|---|---|---|
| 254684 (current) | 2020-07-31 | cif/ Adding structures of 4135125 via cif-deposit CGI script. |
4135125.cif |
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