Information card for entry 4324966

Structure parameters

• Formula: C33 H74 Cl14 I2 N2 Si6
• Calculated formula: C33 H74 Cl14 I2 N2 Si6
• SMILES: [I-].[I-].[Si]1([Si]([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.C(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 18.115 ± 0.007 Å
• b: 19.081 ± 0.007 Å
• c: 18.331 ± 0.007 Å
• α: 90°
• β: 97.36 ± 0.008°
• γ: 90°
• Cell volume: 6284 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No