Information card for entry 2020117

Structure parameters

• Chemical name: Tetrabutylammonium tributylmethylammonium dichloride dodecachlorohexasilane
• Formula: C29 H66 Cl14 N2 Si6
• Calculated formula: C29 H66 Cl14 N2 Si6
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-].[Si]1([Si]([Si](Cl)(Cl)[Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-]
• Title of publication: A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates
• Authors of publication: Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• a: 11.1071 ± 0.0009 Å
• b: 14.3992 ± 0.0012 Å
• c: 16.7434 ± 0.0012 Å
• α: 89.672 ± 0.006°
• β: 88.689 ± 0.006°
• γ: 89.854 ± 0.006°
• Cell volume: 2677.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes