Information card for entry 7014506

Structure parameters

• Common name: (Mn4(C48H28O4S4)2) (C60)2
• Formula: C216 H56 Mn4 O8 S8
• Calculated formula: C216 H56 Mn4 O8 S8
• 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: 33.47 ± 0.002 Å
• b: 14.4254 ± 0.0009 Å
• c: 37.212 ± 0.002 Å
• α: 90°
• β: 90.3 ± 0.001°
• γ: 90°
• Cell volume: 17966.4 ± 1.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No