Information card for entry 4115650

Structure parameters

• Formula: C28 H70 Cl16 N6 Si8
• Calculated formula: C28 H70 Cl16 N6 Si8
• SMILES: [Si]1([Si]([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[Cl-].[Cl-]
• Title of publication: Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1
• Authors of publication: Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8117 - 8118
• a: 19.7106 ± 0.0018 Å
• b: 22.1508 ± 0.0019 Å
• c: 27.13 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11845.1 ± 1.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No