Information card for entry 7204327

Structure parameters

• Formula: ?
• Calculated formula: C34 H24 N4 O6 S12
• SMILES: C12=C(SCCS2)SC(S1)=C1SC2=C(OCCO2)S1.C1(OC)C(=C(C#N)C#N)C=C(C(=C(C#N)C#N)C=1)OC.C1(SC2=C(S1)SCCS2)=C1SC2=C(OCCO2)S1
• 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: 9.887 ± 0.004 Å
• b: 12.024 ± 0.004 Å
• c: 9.387 ± 0.004 Å
• α: 94.75 ± 0.03°
• β: 109.87 ± 0.04°
• γ: 103.17 ± 0.03°
• Cell volume: 1006.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No