Information card for entry 7023999

Structure parameters

• Formula: C30 H30 Fe O5.5 S17
• Calculated formula: C30 H30 Fe O5.5 S17
• Title of publication: Structures and properties of a BEDT-TTF-based organic charge transfer salt and the zwitterion of ferrocenesulfonate.
• Authors of publication: Akutsu, Hiroki; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Turner, Scott S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16351 - 16354
• a: 8.3183 ± 0.0018 Å
• b: 11.743 ± 0.003 Å
• c: 20.589 ± 0.004 Å
• α: 85.4 ± 0.008°
• β: 86.244 ± 0.007°
• γ: 89.038 ± 0.007°
• Cell volume: 2000.3 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No