Information card for entry 4348738

Structure parameters

• Formula: C5 H16 Cl5 N2 Sb
• Calculated formula: C5 H16 Cl5 N2 Sb
• Title of publication: Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.
• Authors of publication: Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10337 - 10342
• a: 7.7946 ± 0.0016 Å
• b: 14.623 ± 0.003 Å
• c: 14.101 ± 0.004 Å
• α: 90°
• β: 118.91 ± 0.02°
• γ: 90°
• Cell volume: 1406.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No