Information card for entry 4118400

Structure parameters

• Formula: C16 H12 Cu S12
• Calculated formula: C16 H12 Cu S12
• SMILES: C12=C(S[Cu]3(S1)SC1=C(S3)SC(=C3SC(=C(C)S3)C)S1)SC(S2)=C1SC(=C(C)S1)C
• Title of publication: Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition
• Authors of publication: Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12724 - 12731
• a: 24.2912 ± 0.0018 Å
• b: 8.2539 ± 0.0006 Å
• c: 11.5292 ± 0.0007 Å
• α: 90°
• β: 91.22 ± 0.04°
• γ: 90°
• Cell volume: 2311 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No