Information card for entry 4348310

Structure parameters

• Formula: C5 H16 Br5 N2 Sb
• Calculated formula: C5 H16 Br5 N2 Sb
• SMILES: C([NH3+])CC[NH2+]CC.[Sb](Br)([Br-])(Br)(Br)[Br-]
• Title of publication: Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.
• Authors of publication: Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7661 - 7666
• a: 21.426 ± 0.008 Å
• b: 7.889 ± 0.004 Å
• c: 19.961 ± 0.013 Å
• α: 90°
• β: 116.79 ± 0.04°
• γ: 90°
• Cell volume: 3012 ± 3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.1708
• Residual factor for significantly intense reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.3036
• Weighted residual factors for all reflections included in the refinement: 0.3203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No