Information card for entry 7034174

Structure parameters

• Formula: C46 H34 Fe Li O13 S32
• Calculated formula: C46 H34 Fe Li O13 S32
• Title of publication: Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(iii).
• Authors of publication: Martin, Lee; Engelkamp, Hendrik; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Horton, Peter; Hursthouse, Michael B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6219 - 6223
• a: 8.7086 ± 0.0005 Å
• b: 37.248 ± 0.002 Å
• c: 22.1051 ± 0.0014 Å
• α: 90°
• β: 90.193 ± 0.003°
• γ: 90°
• Cell volume: 7170.4 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No