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Information card for entry 7247399
Preview
| Coordinates | 7247399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 O9 Yb |
|---|---|
| Calculated formula | C12 H12 O9 Yb |
| Title of publication | Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs |
| Authors of publication | Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 40 |
| Pages of publication | 5629 - 5640 |
| a | 7.7973 ± 0.0003 Å |
| b | 9.4775 ± 0.0004 Å |
| c | 10.6851 ± 0.0004 Å |
| α | 68.823 ± 0.004° |
| β | 70.748 ± 0.003° |
| γ | 74.995 ± 0.003° |
| Cell volume | 686.3 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.023 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
|---|---|---|---|
| 287348 (current) | 2023-11-06 | cif/ Updating files of 7247398, 7247399, 7247400 Original log message: Adding full bibliography for 7247398--7247400.cif. |
7247399.cif |
| 286346 | 2023-09-15 | cif/ Adding structures of 7247398, 7247399, 7247400 via cif-deposit CGI script. |
7247399.cif |
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Users of the data should acknowledge the original authors of the
structural data.