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Information card for entry 7705516
Preview
| Coordinates | 7705516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H34 Er F12 N7 O |
|---|---|
| Calculated formula | C48 H34 Er F12 N7 O |
| SMILES | [Er]123([N](=CN1c1c(F)cccc1F)c1c(F)cccc1F)([N](=CN2c1c(F)cccc1F)c1c(F)cccc1F)([n]1ccccc1)[N](c1c(F)cccc1F)=CN3c1c(F)cccc1F.O1CCCC1 |
| Title of publication | Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines. |
| Authors of publication | Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 39 |
| Pages of publication | 13588 - 13600 |
| a | 11.51 ± 0.002 Å |
| b | 12.02 ± 0.002 Å |
| c | 16.94 ± 0.003 Å |
| α | 92.65 ± 0.03° |
| β | 96.67 ± 0.03° |
| γ | 107.52 ± 0.03° |
| Cell volume | 2211.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705516.cif |
| 258818 | 2020-11-06 | cif/ Updating files of 7705503, 7705504, 7705505, 7705506, 7705507, 7705508, 7705509, 7705510, 7705511, 7705512, 7705513, 7705514, 7705515, 7705516, 7705517, 7705518, 7705519, 7705520, 7705521, 7705522, 7705523 Original log message: Adding full bibliography for 7705503--7705523.cif. |
7705516.cif |
| 256754 | 2020-09-25 | cif/ Adding structures of 7705503, 7705504, 7705505, 7705506, 7705507, 7705508, 7705509, 7705510, 7705511, 7705512, 7705513, 7705514, 7705515, 7705516, 7705517, 7705518, 7705519, 7705520, 7705521, 7705522, 7705523 via cif-deposit CGI script. |
7705516.cif |
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Users of the data should acknowledge the original authors of the
structural data.