Information card for entry 7704540

Structure parameters

• Formula: C34 H56 N10 S2
• Calculated formula: C34 H56 N10 S2
• 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: 9.6131 ± 0.0011 Å
• b: 11.5468 ± 0.0013 Å
• c: 17.891 ± 0.002 Å
• α: 90°
• β: 90.086 ± 0.007°
• γ: 90°
• Cell volume: 1985.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No