Information card for entry 4318079

Structure parameters

• Formula: C11 H11 Br Mn0.25 O0.5 S4 Se4
• Calculated formula: C10.5 H11 Br Mn0.0625 O0.5 S4 Se4
• Title of publication: Magnetic Molecular Conductors Based on BETS Molecules and Divalent Magnetic Anions [BETS = Bis(ethylenedithio)tetraselenafulvalene]
• Authors of publication: Emiko Fujiwara; Victor Gritsenko; Hideki Fujiwara; Itaru Tamura; Hayao Kobayashi; Madoka Tokumoto; Akiko Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3230 - 3238
• a: 9.771 ± 0.004 Å
• b: 9.771 ± 0.004 Å
• c: 75.783 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7235 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 2.978
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No