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Information card for entry 7127164
Preview
| Coordinates | 7127164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H79 B Cl2 Dy N5 O2 Si2 |
|---|---|
| Calculated formula | C78 H79 B Cl2 Dy N5 O2 Si2 |
| Title of publication | Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets. |
| Authors of publication | Canaj, Angelos B.; Dey, Sourav; Wilson, Claire; Céspedes, Oscar; Rajaraman, Gopalan; Murrie, Mark |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 80 |
| Pages of publication | 12037 - 12040 |
| a | 14.3753 ± 0.0011 Å |
| b | 22.1443 ± 0.0017 Å |
| c | 23.4355 ± 0.0019 Å |
| α | 100.425 ± 0.003° |
| β | 103.832 ± 0.003° |
| γ | 100.857 ± 0.003° |
| Cell volume | 6911.6 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1824 |
| Weighted residual factors for all reflections included in the refinement | 0.1988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260665 (current) | 2021-01-07 | cif/ Updating files of 7127164 Original log message: Adding full bibliography for 7127164.cif. |
7127164.cif |
| 255879 | 2020-09-04 | cif/ Adding structures of 7127164 via cif-deposit CGI script. |
7127164.cif |
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