Information card for entry 1548230

Structure parameters

• Formula: C12 H4 Br2 I2 O2 S4
• Calculated formula: C12 H4 Br2 I2 O2 S4
• Title of publication: Quantum ferroelectricity in charge-transfer complex crystals
• Authors of publication: Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7469
• a: 7.008 ± 0.002 Å
• b: 7.571 ± 0.002 Å
• c: 9.696 ± 0.003 Å
• α: 111.669 ± 0.01°
• β: 108.287 ± 0.007°
• γ: 93.393 ± 0.01°
• Cell volume: 444.9 ± 0.2 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.68888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No