Information card for entry 7129748

Structure parameters

• Formula: C84 H96 Cu3 F18 N60 Si3
• Calculated formula: C84 H96 Cu3 F18 N60 Si3
• Title of publication: Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet
• Authors of publication: Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 21.9791 ± 0.0005 Å
• b: 21.9791 ± 0.0005 Å
• c: 16.7774 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7019 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No