Information card for entry 4065685

Structure parameters

• Formula: C16 H14 Br12 N2 Si6
• Calculated formula: C16 H14 Br12 N2 Si6
• SMILES: C(#N)c1ccc(cc1)C.Br[Si]1([Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br)Br.C(#N)c1ccc(cc1)C
• Title of publication: “Inverse Sandwich” Complexes of Perhalogenated Cyclohexasilane
• Authors of publication: Dai, Xuliang; Schulz, Douglas L.; Braun, Christopher W.; Ugrinov, Angel; Boudjouk, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2203
• a: 10.6 ± 0.006 Å
• b: 10.905 ± 0.005 Å
• c: 15.979 ± 0.006 Å
• α: 90°
• β: 101.058 ± 0.006°
• γ: 90°
• Cell volume: 1812.8 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No