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Information card for entry 1557650
Preview
| Coordinates | 1557650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H84 Fe3 Ho Li3 O6 |
|---|---|
| Calculated formula | C60 H84 Fe3 Ho Li3 O6 |
| 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 | 11.3389 ± 0.0004 Å |
| b | 13.7172 ± 0.0005 Å |
| c | 36.2329 ± 0.0012 Å |
| α | 90° |
| β | 95.344 ± 0.001° |
| γ | 90° |
| Cell volume | 5611.1 ± 0.3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0931 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.353 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1557650.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. |
1557650.cif |
| 249688 | 2020-03-25 | cif/ Adding structures of 1557647, 1557648, 1557649, 1557650, 1557651, 1557652, 1557653, 1557654, 1557655, 1557656 via cif-deposit CGI script. |
1557650.cif |
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Users of the data should acknowledge the original authors of the
structural data.