Information card for entry 2102495

Structure parameters

• Chemical name: Triphenylsilanol‒N,N'-dimethylpiperazine (2/1)
• Formula: C42 H46 N2 O2 Si2
• Calculated formula: C42 H46 N2 O2 Si2
• SMILES: C1N(CCN(C1)C)C.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: 14.6528 ± 0.001 Å
• b: 8.1361 ± 0.0004 Å
• c: 16.7852 ± 0.001 Å
• α: 90°
• β: 117.868 ± 0.004°
• γ: 90°
• Cell volume: 1769 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0813
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No