Information card for entry 4103652

Structure parameters

• Common name: C72Cl4
• Formula: C73 Cl4 S2
• Calculated formula: C73 Cl4 S2
• Title of publication: C72Cl4: A Pristine Fullerene with Favorable Pentagon-Adjacent Structure
• Authors of publication: Yuan-Zhi Tan; Ting Zhou; Jian Bao; Gui-Juan Shan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17102 - 17104
• a: 20.377 ± 0.004 Å
• b: 16.863 ± 0.003 Å
• c: 10.972 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3770.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No