Information card for entry 4102360

Structure parameters

• Formula: C26 H38 Cl12 N6 Sb2
• Calculated formula: C26 H38 Cl12 N6 Sb2
• Title of publication: Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations
• Authors of publication: Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6176 - 6182
• a: 7.2994 ± 0.0003 Å
• b: 12.7484 ± 0.0006 Å
• c: 21.9094 ± 0.001 Å
• α: 90°
• β: 94.84 ± 0.004°
• γ: 90°
• Cell volume: 2031.52 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No