Information card for entry 4502361

Structure parameters

• Formula: C5 H14 Cl4 I2 N2
• Calculated formula: C5 H14 Cl4 I2 N2
• SMILES: [I-](Cl)Cl.[I-](Cl)Cl.[C@H]1(C[NH2+]CC[NH2+]1)C
• Title of publication: Ferroelectric Homochiral Organic Molecular Crystals
• Authors of publication: Zhang, Tong; Chen, Li-Zhuang; Gou, Min; Li, Yong-Hua; Fu, Da-Wei; Xiong, Ren-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1025
• a: 8.476 ± 0.002 Å
• b: 7.515 ± 0.002 Å
• c: 11.474 ± 0.003 Å
• α: 90°
• β: 101.9 ± 0.03°
• γ: 90°
• Cell volume: 715.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No