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Information card for entry 7127231
Preview
| Coordinates | 7127231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H62 Cl8 N12 Sb Tb |
|---|---|
| Calculated formula | C69 H62 Cl8 N12 Sb Tb |
| SMILES | [Tb]123456([n]7c8C=c9n2c(=Cc2[n]3c(=Cc3n1c(C=c7c(c8CC)CC)c(c3CC)CC)c(CC)c2CC)c(CC)c9CC)[n]1c2=Nc3n6c(N=c6[n]5c(N=c5n4c(=Nc1c1c2cccc1)c1ccccc51)c1c6cccc1)c1ccccc31.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].ClCCl |
| Title of publication | Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice. |
| Authors of publication | Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 84 |
| Pages of publication | 12785 - 12788 |
| a | 13.1037 ± 0.0002 Å |
| b | 15.3447 ± 0.0002 Å |
| c | 18.9271 ± 0.0004 Å |
| α | 108.883 ± 0.001° |
| β | 104.223 ± 0.001° |
| γ | 91.574 ± 0.001° |
| Cell volume | 3466.69 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260693 (current) | 2021-01-07 | cif/ Updating files of 7127230, 7127231, 7127232, 7127233, 7127234, 7127235, 7127236 Original log message: Adding full bibliography for 7127230--7127236.cif. |
7127231.cif |
| 256438 | 2020-09-16 | cif/ Adding structures of 7127230, 7127231, 7127232, 7127233, 7127234, 7127235, 7127236 via cif-deposit CGI script. |
7127231.cif |
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