Information card for entry 4502421

Structure parameters

• Formula: C30 H24 Cl8 Fe2 S24
• Calculated formula: C30 H24 Cl8 Fe2 S24
• Title of publication: Polymorphism in Hybrid Organic−Inorganic Bilayered Magnetic Conductors (BEDT-TTF)3(FeIIICl4)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene
• Authors of publication: Zhang, Bin; Kurmoo, Mohamedally; Mori, Takehiko; Zhang, Yan; Pratt, Francis Laurence; Zhu, Daoben
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 782
• a: 13.3935 ± 0.0002 Å
• b: 14.5251 ± 0.0002 Å
• c: 28.1362 ± 0.0005 Å
• α: 100.556 ± 0.001°
• β: 96.86 ± 0.001°
• γ: 90.028 ± 0.001°
• Cell volume: 5341.11 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1405
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No