Information card for entry 2011551

Structure parameters

• Formula: C7 H10 Br N
• Calculated formula: C7 H10 Br N
• SMILES: [Br-].[nH+]1cc(C)cc(C)c1
• Title of publication: Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide
• Authors of publication: Bolte, Michael; Hensen, Karl; Faber, Alexander
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e524 - e525
• a: 7.504 ± 0.002 Å
• b: 8.144 ± 0.003 Å
• c: 8.522 ± 0.003 Å
• α: 117.8 ± 0.01°
• β: 113.43 ± 0.01°
• γ: 93.01 ± 0.01°
• Cell volume: 404.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No