Information card for entry 2019046

Structure parameters

• Chemical name: Triphenylsilanol‒4,4'-bipyridyl (4/1)
• Formula: C82 H72 N2 O4 Si4
• Calculated formula: C82 H72 N2 O4 Si4
• SMILES: n1ccc(cc1)c1ccncc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited
• Authors of publication: Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 774 - 777
• a: 20.787 ± 0.004 Å
• b: 24.404 ± 0.005 Å
• c: 29.456 ± 0.006 Å
• α: 83.68 ± 0.03°
• β: 89.65 ± 0.03°
• γ: 67.11 ± 0.03°
• Cell volume: 13671 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.2045
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes