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Information card for entry 1570668
Preview
| Coordinates | 1570668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 O |
|---|---|
| Calculated formula | C3 O |
| Title of publication | Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. |
| Authors of publication | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 45 |
| Pages of publication | 12984 - 12994 |
| a | 2.77588 Å |
| b | 2.77588 Å |
| c | 2.77623 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 21.392 Å3 |
| Number of distinct elements | 2 |
| Space group number | 134 |
| Hermann-Mauguin space group symbol | P 42/n n m :2 |
| Hall space group symbol | -P 4ac 2bc |
| Residual factor for all reflections | 0 |
| Method of determination | theoretical |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298487 (current) | 2025-03-18 | cif/1/57/06/ Mark ToposPro-generated structures from doi:10.1039/d3sc04406h as theoretical. |
1570668.cif |
| 288675 | 2024-01-04 | cif/ Adding structures of 1570654, 1570655, 1570656, 1570657, 1570658, 1570659, 1570660, 1570661, 1570662, 1570663, 1570664, 1570665, 1570666, 1570667, 1570668, 1570669, 1570670, 1570671, 1570672, 1570673, 1570674, 1570675, 1570676, 1570677, 1570678, 1570679, 1570680, 1570681, 1570682, 1570683, 1570684, 1570685, 1570686, 1570687, 1570688, 1570689, 1570690, 1570691, 1570692 via cif-deposit CGI script. |
1570668.cif |
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Users of the data should acknowledge the original authors of the
structural data.