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Information card for entry 7246844
Preview
| Coordinates | 7246844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H92 N32 O63 Yb2 |
|---|---|
| Calculated formula | C36 H36 N32 O63.0018 Yb2 |
| Title of publication | Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application |
| Authors of publication | Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 23 |
| Pages of publication | 3460 - 3471 |
| a | 25.7946 ± 0.0004 Å |
| b | 25.7946 ± 0.0004 Å |
| c | 31.7638 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 18302.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284923 (current) | 2023-07-05 | cif/ Updating files of 7246836, 7246837, 7246838, 7246839, 7246840, 7246841, 7246842, 7246843, 7246844 Original log message: Adding full bibliography for 7246836--7246844.cif. |
7246844.cif |
| 284032 | 2023-05-27 | cif/ Adding structures of 7246836, 7246837, 7246838, 7246839, 7246840, 7246841, 7246842, 7246843, 7246844 via cif-deposit CGI script. |
7246844.cif |
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Users of the data should acknowledge the original authors of the
structural data.