Information card for entry 4324967

Structure parameters

• Formula: C32 H72 Br14 N2 Si6
• Calculated formula: C32 H72 Br14 N2 Si6
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.Br[Si]1(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br.[Br-].[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]
• Title of publication: Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br)
• Authors of publication: Xuliang Dai; Seok-Bong Choi; Christopher W. Braun; Pooja Vaidya; Svetlana Kilina; Angel Ugrinov; Douglas L. Schulz; Philip Boudjouk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4047 - 4053
• a: 11.106 ± 0.004 Å
• b: 12.084 ± 0.004 Å
• c: 12.741 ± 0.004 Å
• α: 107.503 ± 0.006°
• β: 91.912 ± 0.006°
• γ: 115.239 ± 0.006°
• Cell volume: 1448.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No