Information card for entry 4348739

Structure parameters

• Formula: C5 H16 Cl5 N2 Sb
• Calculated formula: C5 H16 Cl5 N2 Sb
• SMILES: C(CC[NH+](C)C)[NH3+].[Cl-][Sb](Cl)(Cl)(Cl)[Cl-]
• 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: 7.6816 ± 0.0007 Å
• b: 14.5454 ± 0.0018 Å
• c: 13.974 ± 0.002 Å
• α: 90°
• β: 118.317 ± 0.013°
• γ: 90°
• Cell volume: 1374.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No