Information card for entry 4346576

Structure parameters

• Formula: C32 H72 Al2 Cl20 N2 Si6
• Calculated formula: C32 H72 Al2 Cl20 N2 Si6
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.[Al](Cl)(Cl)(Cl)[Cl-].[Si]1([Si]([Si](Cl)([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)(Cl)Cl.C(CCC)[N+](CCCC)(CCCC)CCCC.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.
• Authors of publication: Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9611 - 9618
• a: 20.3059 ± 0.0013 Å
• b: 12.0325 ± 0.0005 Å
• c: 27.9854 ± 0.0017 Å
• α: 90°
• β: 103.759 ± 0.005°
• γ: 90°
• Cell volume: 6641.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No