Information card for entry 2102497

Structure parameters

• Chemical name: Triphenylsilanol–4,4'-bipyridyl–water (2/1/2)
• Formula: C46 H44 N2 O4 Si2
• Calculated formula: C46 H44 N2 O4 Si2
• SMILES: [Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccc(cc1)c1ccncc1.O.O
• 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: 8.9058 ± 0.0004 Å
• b: 13.9098 ± 0.0008 Å
• c: 16.9083 ± 0.0008 Å
• α: 75.053 ± 0.003°
• β: 88.509 ± 0.003°
• γ: 86.951 ± 0.003°
• Cell volume: 2020.67 ± 0.18 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: 0.1066
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No