Information card for entry 7204018

Structure parameters

• Formula: C11 H6 S9
• Calculated formula: C11 H6 S9
• SMILES: S1CCSC2=C1SC(S2)=C1SC(C(=S)S1)=C1SC=CS1
• Title of publication: Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides
• Authors of publication: Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 385
• a: 7.877 ± 0.004 Å
• b: 14.141 ± 0.002 Å
• c: 14.541 ± 0.002 Å
• α: 90°
• β: 100.35 ± 0.02°
• γ: 90°
• Cell volume: 1593.3 ± 0.9 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No