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Information card for entry 1557649
Preview
| Coordinates | 1557649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H72 Fe3 Li3 O6 Yb |
|---|---|
| Calculated formula | C54 H72 Fe3 Li3 O6 Yb |
| SMILES | [Yb]12345[c]678[Fe]9%10%11%12%13%14%15([cH]6[cH]9[cH]%10[cH]7%11)[c]61([cH]%12[cH]%13[cH]%14[cH]%156)[Li]1([O]6CCCC6)[c]673[Fe]39%10%11%12%13%14([c]%152([cH]3[cH]9[cH]%10[cH]%11%15)[Li]8([O]2CCCC2)[c]234[Fe]489%10%11%15%16([cH]2[cH]4[cH]8[cH]39)[C]251[cH]%10[cH]%11[cH]%15[cH]%162)[cH]6[cH]%12[cH]%13[cH]7%14 |
| Title of publication | Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet |
| Authors of publication | Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 15 |
| Pages of publication | 3936 - 3951 |
| a | 11.4155 ± 0.0006 Å |
| b | 63.489 ± 0.003 Å |
| c | 13.73 ± 0.0007 Å |
| α | 90° |
| β | 92.17 ± 0.002° |
| γ | 90° |
| Cell volume | 9943.8 ± 0.9 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0774 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257384 (current) | 2020-10-06 | cif/ Updating files of 1557647, 1557648, 1557649, 1557650, 1557651, 1557652, 1557653, 1557654, 1557655, 1557656 Original log message: Adding full bibliography for 1557647--1557656.cif. |
1557649.cif |
| 251609 | 2020-05-05 | cif/ Updating files of 1557647, 1557648, 1557649, 1557650, 1557651, 1557652, 1557653, 1557654, 1557655, 1557656 Original log message: Adding full bibliography for 1557647--1557656.cif. |
1557649.cif |
| 249688 | 2020-03-25 | cif/ Adding structures of 1557647, 1557648, 1557649, 1557650, 1557651, 1557652, 1557653, 1557654, 1557655, 1557656 via cif-deposit CGI script. |
1557649.cif |
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Users of the data should acknowledge the original authors of the
structural data.