Information card for entry 7204020

Structure parameters

• Formula: C35 H18 Cl4 Cu S31
• Calculated formula: C35 H18 Cl4 Cu S31
• 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: 33.738 ± 0.001 Å
• b: 10.6239 ± 0.0003 Å
• c: 16.3825 ± 0.0006 Å
• α: 90°
• β: 95.552 ± 0.001°
• γ: 90°
• Cell volume: 5844.4 ± 0.3 ų
• Cell temperature: 200.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 5
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections: 1.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0572
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No