Information card for entry 4109620

Structure parameters

• Formula: C42.5 H46 Cl6 Sb
• Calculated formula: C42.5 H46 Cl6 Sb
• Title of publication: Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals
• Authors of publication: Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8070 - 8071
• a: 9.982 ± 0.0003 Å
• b: 17.5147 ± 0.0006 Å
• c: 24.8092 ± 0.0008 Å
• α: 99.753 ± 0.002°
• β: 92.355 ± 0.002°
• γ: 103.755 ± 0.002°
• Cell volume: 4137.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No