Information card for entry 4311145

Structure parameters

• Formula: C10 H22 Cl6 N2 O5 Sn2
• Calculated formula: C10 H16 Cl6 N2 O5 Sn2
• SMILES: [Sn](Cl)(Cl)[Cl-].[Sn](Cl)(Cl)[Cl-].[C@H](CCc1ccc([NH3+])cc1)(C(=O)O)[NH3+].O.O.O
• Title of publication: A Novel TGS-like Inorganic-Organic Hybrid and a Preliminary Investigation of Its Possible Ferroelectric Behavior
• Authors of publication: Yong-Hua Li; Zhi-Rong Qu; Hong Zhao; Qiong Ye; Li-Xin Xing; Xi-Sen Wang; Ren-Gen Xiong; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3768 - 3770
• a: 18.3225 ± 0.001 Å
• b: 6.2068 ± 0.0003 Å
• c: 20.3289 ± 0.0011 Å
• α: 90°
• β: 94.787 ± 0.001°
• γ: 90°
• Cell volume: 2303.8 ± 0.2 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.749
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No