Information card for entry 4065684

Structure parameters

• Formula: Br12 Si6
• Calculated formula: Br12 Si6
• SMILES: Br[Si]1(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br
• 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: 18.324 ± 0.002 Å
• b: 10.0813 ± 0.0012 Å
• c: 14.2797 ± 0.0017 Å
• α: 90°
• β: 110.015 ± 0.002°
• γ: 90°
• Cell volume: 2478.6 ± 0.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 2
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No