Information card for entry 4000044

Structure parameters

• Formula: C12 H10 O S9
• Calculated formula: C12 H10 O S9
• SMILES: C1CSC(O1)C1SC2=C(S1)SC(=C1SC3=C(S1)SCCS3)S2
• Title of publication: Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals
• Authors of publication: Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1770 - 1777
• a: 18.593 ± 0.011 Å
• b: 9.663 ± 0.003 Å
• c: 10.159 ± 0.003 Å
• α: 90°
• β: 104.79 ± 0.04°
• γ: 90°
• Cell volume: 1764.7 ± 1.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No