Information card for entry 7127231

Structure parameters

• 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⁺ 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 ų
• 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