Information card for entry 7225814

Structure parameters

• Formula: C42 H40 Cl N O2 Si2
• Calculated formula: C42 H40 Cl N O2 Si2
• Title of publication: Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol
• Authors of publication: Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 5952
• a: 10.008 ± 0.002 Å
• b: 14.177 ± 0.003 Å
• c: 14.937 ± 0.003 Å
• α: 64.62 ± 0.03°
• β: 72.74 ± 0.03°
• γ: 77.69 ± 0.03°
• Cell volume: 1819.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No