Information card for entry 7127234

Structure parameters

• Formula: C84 H96 N13 Tb
• Calculated formula: C84 H96 N13 Tb
• 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: 14.9131 ± 0.0007 Å
• b: 23.0259 ± 0.0009 Å
• c: 21.9427 ± 0.001 Å
• α: 90°
• β: 104.777 ± 0.005°
• γ: 90°
• Cell volume: 7285.6 ± 0.6 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No