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Information card for entry 7121935
Preview
| Coordinates | 7121935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H65 N6 O12 Yb |
|---|---|
| Calculated formula | C40 H65 N6 O12 Yb |
| Title of publication | Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes. |
| Authors of publication | Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 61 |
| Pages of publication | 8486 - 8489 |
| a | 7.6574 ± 0.0003 Å |
| b | 13.1494 ± 0.0005 Å |
| c | 22.747 ± 0.0009 Å |
| α | 86.53 ± 0.002° |
| β | 86.957 ± 0.002° |
| γ | 74.094 ± 0.002° |
| Cell volume | 2197.08 ± 0.15 Å3 |
| Cell temperature | 160 K |
| Ambient diffraction temperature | 160 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121935.cif |
| 228564 | 2019-11-17 | cif/ Updating files of 7121932, 7121933, 7121934, 7121935, 7121936, 7121937, 7121938, 7121939 Original log message: Adding full bibliography for 7121932--7121939.cif. |
7121935.cif |
| 208952 | 2018-07-11 | cif/ Adding structures of 7121932, 7121933, 7121934, 7121935, 7121936, 7121937, 7121938, 7121939 via cif-deposit CGI script. |
7121935.cif |
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Users of the data should acknowledge the original authors of the
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