Information card for entry 4333466

Structure parameters

• Formula: C50 H52 Fe O12 S34
• Calculated formula: C50 H52 Fe O12 S34
• Title of publication: Novel bis(ethylenedithio)tetrathiafulvalene-based organic conductor with 1,1'-ferrocenedisulfonate.
• Authors of publication: Akutsu, Hiroki; Ohnishi, Ryo; Yamada, Jun-ich; Nakatsuji, Shin'ichi; Turner, Scott S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8472 - 8474
• a: 16.7469 ± 0.001 Å
• b: 17.4917 ± 0.0016 Å
• c: 19.7235 ± 0.0017 Å
• α: 100.183 ± 0.0018°
• β: 99.3893 ± 0.0006°
• γ: 94.1645 ± 0.0008°
• Cell volume: 5579.7 ± 0.8 ų
• Cell temperature: 295.1 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: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No