Information card for entry 4336769

Structure parameters

• Common name: [CrCyclam(C2MeEDT-TTF)2][BF4]2(PhF)2(CH3CN)
• Formula: C46 H51 B2 Cr F10 N5 S12
• Calculated formula: C46 H51 B2 Cr F10 N5 S12
• Title of publication: A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism
• Authors of publication: Junichi Nishijo; Masaya Enomoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13263 - 13268
• a: 33.111 ± 0.003 Å
• b: 11.4104 ± 0.001 Å
• c: 15.919 ± 0.0016 Å
• α: 90°
• β: 102.243 ± 0.003°
• γ: 90°
• Cell volume: 5877.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No