Information card for entry 7014504

Structure parameters

• Common name: (Mn4(C48H28O4S4)2)2 (C60)
• Formula: C252 H112 Mn8 O16 S16
• Calculated formula: C252 H112 Mn8 O16 S16
• Title of publication: Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.
• Authors of publication: Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1849 - 1851
• a: 56.211 ± 0.003 Å
• b: 29.8431 ± 0.0018 Å
• c: 30.793 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51656 ± 5 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No