Information card for entry 4307335

Structure parameters

• Formula: C8 H4 Br2 Cl2 Fe0.5 O2 S4
• Calculated formula: C8 H4 Br2 Cl2 Fe0.5 O2 S4
• Title of publication: Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)
• Authors of publication: A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3353 - 3366
• a: 12.587 ± 0.004 Å
• b: 34.246 ± 0.009 Å
• c: 6.952 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2996.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No