Information card for entry 2010317

Structure parameters

• Formula: C30 H24 Br2 Cl2 Cu S24
• Calculated formula: C30 H24 Br4 Cl4 Cu S24
• Title of publication: (BEDT-TFF)~3~[CuBr~2~Cl~2~]
• Authors of publication: Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1892 - 1894
• a: 16.895 ± 0.003 Å
• b: 10.108 ± 0.004 Å
• c: 14.15 ± 0.004 Å
• α: 90°
• β: 102.6 ± 0.02°
• γ: 90°
• Cell volume: 2358.3 ± 1.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No