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Information card for entry 7229199
Preview
| Coordinates | 7229199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H84 N20 O20 Zn4 |
|---|---|
| Calculated formula | C96 H84 N20 O20 Zn4 |
| Title of publication | The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks |
| Authors of publication | Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 16.552 ± 0.0002 Å |
| b | 18.864 ± 0.0002 Å |
| c | 29.433 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9190.07 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201008 (current) | 2017-09-19 | cif/ Adding structures of 7229193, 7229194, 7229195, 7229196, 7229197, 7229198, 7229199 via cif-deposit CGI script. |
7229199.cif |
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Users of the data should acknowledge the original authors of the
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