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Information card for entry 7246836
Preview
| Coordinates | 7246836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H69 N31 Nd2 O49 |
|---|---|
| Calculated formula | C36 H68 N31 Nd2 O49 |
| 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 | 14.3393 ± 0.0003 Å |
| b | 13.6235 ± 0.0003 Å |
| c | 18.0779 ± 0.0004 Å |
| α | 90° |
| β | 105.504 ± 0.002° |
| γ | 90° |
| Cell volume | 3403.04 ± 0.13 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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 |
|---|---|---|---|
| 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. |
7246836.cif |
| 284032 | 2023-05-27 | cif/ Adding structures of 7246836, 7246837, 7246838, 7246839, 7246840, 7246841, 7246842, 7246843, 7246844 via cif-deposit CGI script. |
7246836.cif |
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Users of the data should acknowledge the original authors of the
structural data.