Information card for entry 2009339

Structure parameters

• Chemical name: [1,3-dithiol-4,5-(3,4,5,6-tetramethylthio)-benzo-2-ylidnene, dichloro-Copper(II)]
• Formula: C11 H12 Cl2 Cu S7
• Calculated formula: C11 H12 Cl2 Cu S7
• SMILES: [Cu]1(Cl)(Cl)[S](c2c([S]1C)c(SC)c1SC(=S)Sc1c2SC)C
• Title of publication: Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II)
• Authors of publication: Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: IUC9900166
• a: 13.919 ± 0.004 Å
• b: 9.211 ± 0.004 Å
• c: 14.856 ± 0.004 Å
• α: 90°
• β: 107.7 ± 0.02°
• γ: 90°
• Cell volume: 1814.5 ± 1.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes