Information card for entry 7204329

Structure parameters

• Formula: ?
• Calculated formula: C34 N16 O2 S10
• SMILES: C1(SC2=C(OCCO2)S1)C1SC2=C(SCCS2)S1.C(#N)C(=c1c2c(c(=C(C#N)C#N)c3c1nsn3)nsn2)C#N.C(#N)C(C#N)=c1c2c(c(c3c1nsn3)=C(C#N)C#N)nsn2
• Title of publication: Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability
• Authors of publication: Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1640
• a: 7.541 ± 0.001 Å
• b: 9.169 ± 0.0008 Å
• c: 15.216 ± 0.002 Å
• α: 93.948 ± 0.007°
• β: 101.68 ± 0.006°
• γ: 106.924 ± 0.008°
• Cell volume: 976.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.161
• Goodness-of-fit parameter for significantly intense reflections: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No