Information card for entry 4000045

Structure parameters

• Formula: C24 H20 As F6 O4 S16
• Calculated formula: C24 H20 As O4 S16
• SMILES: C1COC(O1)C1SC2=C(S1)SC(=C1SC3=C(S1)SCCS3)S2.[As](F)(F)(F)(F)(F)[F-]
• 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: 5.086 ± 0.002 Å
• b: 11.5 ± 0.003 Å
• c: 15.08 ± 0.005 Å
• α: 99.01 ± 0.02°
• β: 90.16 ± 0.03°
• γ: 91.09 ± 0.02°
• Cell volume: 871 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for significantly intense reflections: 2.558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No