Information card for entry 7704541

Structure parameters

• Formula: C22 H28 F6 N2 O3 S
• Calculated formula: C22 H28 F6 N2 O3 S
• Title of publication: Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.
• Authors of publication: Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8734 - 8743
• a: 10.2809 ± 0.0017 Å
• b: 24.653 ± 0.004 Å
• c: 9.748 ± 0.0014 Å
• α: 90°
• β: 90.11 ± 0.006°
• γ: 90°
• Cell volume: 2470.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No