Information card for entry 7232021

Structure parameters

• Formula: C190 H62.67 Cl1.33 N2 P2 Sc6
• Calculated formula: C177.333 H39.9996 N2 P1.33333 Sc6
• Title of publication: Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 1645 - 1649
• a: 21.2827 ± 0.001 Å
• b: 21.2827 ± 0.001 Å
• c: 22.0855 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8663.5 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 6
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.2138
• Residual factor for significantly intense reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.3455
• Weighted residual factors for all reflections included in the refinement: 0.3995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.455
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No