Information card for entry 7205350

Structure parameters

• Formula: C46 H36 Br4 Cl2 Co S32
• Calculated formula: C46 H36 Br4 Cl2 Co S32
• Title of publication: Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)
• Authors of publication: Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1467
• a: 9.406 ± 0.0019 Å
• b: 9.986 ± 0.002 Å
• c: 74.231 ± 0.015 Å
• α: 88.87 ± 0.03°
• β: 89.52 ± 0.03°
• γ: 90.14 ± 0.03°
• Cell volume: 6971 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: I -1
• Hall space group symbol: -P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
• Residual factor for all reflections: 0.3225
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No