Information card for entry 7014502

Structure parameters

• Common name: (Mn4(C48H28O4S4)2)(CHCl3)2
• Formula: C98 H58 Cl6 Mn4 O8 S8
• Calculated formula: C98 H58 Cl6 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: 13.2061 ± 0.0006 Å
• b: 13.6364 ± 0.0006 Å
• c: 14.9448 ± 0.0007 Å
• α: 117.052 ± 0.001°
• β: 90.389 ± 0.001°
• γ: 113.035 ± 0.001°
• Cell volume: 2148.99 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No