Information card for entry 4102361

Structure parameters

• Formula: C22 H32 F12 N4 Sb2
• Calculated formula: C22 H32 F12 N4 Sb2
• SMILES: c1cc2ccc1N(C)CCCN(c1ccc(cc1)N(C)CCCN2C)C.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• 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: 6.5273 ± 0.0005 Å
• b: 10.0768 ± 0.0008 Å
• c: 11.9925 ± 0.00013 Å
• α: 109.5 ± 0.005°
• β: 100.439 ± 0.005°
• γ: 104.66 ± 0.05°
• Cell volume: 688.1 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No