Information card for entry 7206029

Structure parameters

• Common name: (EDTTTFImH)2(CNA)
• Chemical name: (EDTTTFImH)2(CNA)
• Formula: C15 H9 N3 O2 S6
• Calculated formula: C15 H9 N3 O2 S6
• Title of publication: Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions
• Authors of publication: Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3689
• a: 9.762 ± 0.005 Å
• b: 10.467 ± 0.008 Å
• c: 10.572 ± 0.007 Å
• α: 92.16 ± 0.03°
• β: 114.66 ± 0.02°
• γ: 112.01 ± 0.02°
• Cell volume: 885.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No