Information card for entry 4103651

Structure parameters

• Formula: C73 Cl4 S2
• Calculated formula: C73 Cl4 S2
• Title of publication: Disclosure of the Elusive C2v-C72 Carbon Cage
• Authors of publication: Karolin Ziegler; Andreas Mueller; Konstantin Yu. Amsharov; Martin Jansen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17099 - 17101
• a: 20.376 ± 0.006 Å
• b: 16.9 ± 0.005 Å
• c: 10.96 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3774.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2529
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No