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Information card for entry 4135123
Preview
| Coordinates | 4135123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C153 H94 Cu2 N4 O42 |
|---|---|
| Calculated formula | C156 H80 Cu2 N4 O42 |
| 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 | 32.9819 ± 0.0004 Å |
| b | 32.9819 ± 0.0004 Å |
| c | 9.9569 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10831.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 126 |
| Hermann-Mauguin space group symbol | P 4/n n c :2 |
| Hall space group symbol | -P 4a 2bc |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.2408 |
| Weighted residual factors for all reflections included in the refinement | 0.2532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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 |
|---|---|---|---|
| 254682 (current) | 2020-07-31 | cif/ Adding structures of 4135123 via cif-deposit CGI script. |
4135123.cif |
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Users of the data should acknowledge the original authors of the
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