Information card for entry 4336771

Structure parameters

• Common name: [CrCyclam(C2MeEDT-TTF)2][ClO4]2(PhBr)3
• Formula: C50 H53 Br3 Cl2 Cr N4 O8 S12
• Calculated formula: C50 H53 Br3 Cl2 Cr N4 O8 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: 32.898 ± 0.003 Å
• b: 11.9855 ± 0.0009 Å
• c: 16.2103 ± 0.0014 Å
• α: 90°
• β: 103.822 ± 0.002°
• γ: 90°
• Cell volume: 6206.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No