Information card for entry 4503932

Structure parameters

• Formula: C24 H28 Br4 Cu N4 O4 S12
• Calculated formula: C24 H28 Br4 Cu N4 O4 S12
• SMILES: C1(=C(SC(S1)=C1SC(=C(S1)SC)SC)C(=O)NC)C(=O)NC.Br[Cu](Br)([Br-])[Br-].C1(=C(SC(S1)=C1SC(=C(S1)SC)SC)C(=O)NC)C(=O)NC
• Title of publication: Tetrathiafulvalene-Diamide Salts with S···S and C···C Stacked Radical Couples
• Authors of publication: Lu, Wen; Zhu, Qin-Yu; Dai, Jie; Zhang, Yong; Bian, Guo-Qing; Liu, Yu; Zhang, De-Qing
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 652
• a: 24.14 ± 0.003 Å
• b: 11.7092 ± 0.0012 Å
• c: 14.2102 ± 0.0017 Å
• α: 90°
• β: 98.537 ± 0.003°
• γ: 90°
• Cell volume: 3972.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No