Information card for entry 2102494

Structure parameters

• Chemical name: Triphenylsilanol‒1,2-bis(4-pyridyl)ethene (4/1)
• Formula: C84 H74 N2 O4 Si4
• Calculated formula: C84 H74 N2 O4 Si4
• SMILES: c1cc(ccn1)/C=C/c1ccncc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds
• Authors of publication: Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 238 - 248
• a: 8.6418 ± 0.0002 Å
• b: 14.1263 ± 0.0003 Å
• c: 16.3149 ± 0.0004 Å
• α: 64.5048 ± 0.001°
• β: 84.1339 ± 0.001°
• γ: 79.7744 ± 0.0013°
• Cell volume: 1768.42 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No