Information card for entry 1570191

Structure parameters

• Chemical name: Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate
• Formula: C30 H48 Cl4 F6 N2 Sn
• Calculated formula: C30 H48 Cl4 F6 N2 Sn
• SMILES: C(C(C)C)[NH2+]CC(C)C.C(C(C)C)[NH2+]CC(C)C.[Sn](c1cccc(c1)C(F)(F)F)(c1cccc(c1)C(F)(F)F)(Cl)(Cl)(Cl)Cl
• Title of publication: Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate
• Authors of publication: Song, Xueqing; Li, William
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 10
• Pages of publication: x230913
• a: 12.2614 ± 0.0001 Å
• b: 10.8318 ± 0.0001 Å
• c: 14.6297 ± 0.0001 Å
• α: 90°
• β: 108.523 ± 0.001°
• γ: 90°
• Cell volume: 1842.36 ± 0.03 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No