Information card for entry 1548229

Structure parameters

• Formula: C18 H8 Br2 I2 O2 S8
• Calculated formula: C18 H8 Br1.9996 I1.999 O2 S8
• 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: 10.501 ± 0.0016 Å
• b: 11.9699 ± 0.0015 Å
• c: 11.0318 ± 0.0017 Å
• α: 90°
• β: 109.896 ± 0.005°
• γ: 90°
• Cell volume: 1303.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No