Information card for entry 7038410

Structure parameters

• Formula: C6 H20 I5 N2 Sb
• Calculated formula: C6 H20 I5 N2 Sb
• SMILES: C(CC)[NH3+].[I-][Sb](I)(I)I.[I-].C(CC)[NH3+]
• Title of publication: Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.
• Authors of publication: Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5229 - 5233
• a: 14.64 ± 0.012 Å
• b: 16.039 ± 0.016 Å
• c: 8.43 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1979 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No