Information card for entry 2007731

Structure parameters

• Chemical name: 1,1-Bis-(N-Methylimidazol)-silacyclohexane dibromide acetonitrile solvate
• Formula: C15 H25 Br2 N5 Si
• Calculated formula: C15 H25 Br2 N5 Si
• SMILES: [Br-].[Br-].[Si]1(CCCCC1)(n1c[n+](C)cc1)n1c[n+](C)cc1.N#CC
• Title of publication: 3,3'-(1-Silacyclohexane-1,1-diyl)bis(1-methylimidazolium) Dibromide Acetonitrile Solvate at 173K
• Authors of publication: Hensen, Karl; Gebhardt, Frank; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1462 - 1464
• a: 11.0034 ± 0.0002 Å
• b: 27.2848 ± 0.0004 Å
• c: 6.7194 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2017.34 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.172
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No