Information card for entry 7127232

Structure parameters

• Formula: C72 H36 N6 Tb0.5
• Calculated formula: C72 H36 N6 Tb0.5
• 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: 24.8514 ± 0.0006 Å
• b: 15.5073 ± 0.0002 Å
• c: 27.2445 ± 0.0006 Å
• α: 90°
• β: 118.812 ± 0.003°
• γ: 90°
• Cell volume: 9199.7 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No