Information card for entry 4108422

Structure parameters

• Formula: C36 H20 Cl4 N6 O8
• Calculated formula: C36 H20 Cl4 N6 O8
• Title of publication: Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge
• Authors of publication: Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13382 - 13391
• a: 22.309 ± 0.004 Å
• b: 10.188 ± 0.002 Å
• c: 14.696 ± 0.003 Å
• α: 90°
• β: 100.228 ± 0.006°
• γ: 90°
• Cell volume: 3287.1 ± 1.1 ų
• Cell temperature: 297 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.6877 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No