Information card for entry 4110395

Structure parameters

• Chemical name: E-4,4'-Bis[4-bis(4-methoxyphenyl)amino]stilbene bis(hexachloroantimonate)
• Formula: C42 H38 Cl12 N2 O4 Sb2
• Calculated formula: C42 H38 Cl12 N2 O4 Sb2
• Title of publication: Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries
• Authors of publication: Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1812 - 1817
• a: 12.0382 ± 0.0009 Å
• b: 14.4404 ± 0.0011 Å
• c: 15.276 ± 0.0012 Å
• α: 90°
• β: 109.749 ± 0.002°
• γ: 90°
• Cell volume: 2499.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No