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Information card for entry 1570759
Preview
| Coordinates | 1570759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H104 Cu4 N12 O38 |
|---|---|
| Calculated formula | C120 H104 Cu4 N12 O38 |
| Title of publication | Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. |
| Authors of publication | Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 2857 - 2866 |
| a | 19.7309 ± 0.0002 Å |
| b | 16.8006 ± 0.0002 Å |
| c | 24.9013 ± 0.0002 Å |
| α | 90° |
| β | 93.538 ± 0.001° |
| γ | 90° |
| Cell volume | 8238.82 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.2422 |
| Weighted residual factors for all reflections included in the refinement | 0.2468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290117 (current) | 2024-03-04 | cif/ Updating files of 1570759, 1570760, 1570761, 1570762 Original log message: Adding full bibliography for 1570759--1570762.cif. |
1570759.cif |
| 289036 | 2024-01-12 | cif/ Adding structures of 1570759, 1570760, 1570761, 1570762 via cif-deposit CGI script. |
1570759.cif |
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Users of the data should acknowledge the original authors of the
structural data.