Information card for entry 7051952

Structure parameters

• Formula: C24 H25 Au2 Br4 Cl3 N2 O2 S12
• Calculated formula: C24 H22 Au2 Br4 Cl3 N2 O2 S12
• Title of publication: Square-lattice hybrid organic‒inorganic conducting layers in the τ phase of a TTF tertiary amide derivative
• Authors of publication: Cauliez, Pascal; Mézière, Cécile; Auban-Senzier, Pascale; Clérac, Rodolphe; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 1561
• a: 37.1481 ± 0.0005 Å
• b: 11.0741 ± 0.0002 Å
• c: 10.5643 ± 0.0002 Å
• α: 90°
• β: 92.026 ± 0.001°
• γ: 90°
• Cell volume: 4343.24 ± 0.13 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: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No