Information card for entry 2011550

Structure parameters

• Formula: C32 H44 Br2 N6 Si
• Calculated formula: C32 H44 Br2 N6 Si
• SMILES: C(#N)C.[Br-].c1c(cc(c[n]1[SiH2]([n]1cc(cc(c1)C)C)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C)C)C.C(#N)C.[Br-]
• 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: 9.636 ± 0.002 Å
• b: 11.237 ± 0.002 Å
• c: 16.242 ± 0.003 Å
• α: 90°
• β: 94.49 ± 0.01°
• γ: 90°
• Cell volume: 1753.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No