Information card for entry 8105743

Structure parameters

• Formula: C10 H16 Cl6 N2 Sn
• Calculated formula: C10 H16 Cl6 N2 Sn
• SMILES: [Sn]([Cl-])([Cl-])(Cl)(Cl)(Cl)Cl.[NH+]1(CCC[C@H]1c1c[nH+]ccc1)C
• Title of publication: The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6
• Authors of publication: Wolke, Marie Barbara; Reiss, Guido J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 535 - 538
• a: 14.0477 ± 0.0004 Å
• b: 8.914 ± 0.0002 Å
• c: 27.6199 ± 0.0006 Å
• α: 90°
• β: 93.06 ± 0.002°
• γ: 90°
• Cell volume: 3453.67 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No