Information card for entry 4134375

Structure parameters

• Formula: C12 H50 Cu6 N6 O34.47 S8
• Calculated formula: C12 H50 Cu6 N6 O34.474 S8
• Title of publication: Synthesis of the Elusive <i>S</i> = ¹/₂ Star Structure: A Possible Quantum Spin Liquid Candidate.
• Authors of publication: Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 11
• Pages of publication: 5013 - 5016
• a: 12.723 ± 0.003 Å
• b: 12.723 ± 0.003 Å
• c: 25.81 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3618.2 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No