Information card for entry 7127233

Structure parameters

• Formula: C67 H37 N6 Tb0.5
• Calculated formula: C67 H37 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: 22.811 ± 0.0002 Å
• b: 17.4164 ± 0.0002 Å
• c: 22.0814 ± 0.0002 Å
• α: 90°
• β: 90.987 ± 0.001°
• γ: 90°
• Cell volume: 8771.32 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No