Information card for entry 7000812

Structure parameters

• Common name: [Eu4Mn2(C40H44O8S4)4(H2O)2](H2O)5.32(CHCl3)7.55
• Formula: C167.55 H198.19 Cl22.65 Eu4 Mn2 O39.35 S16
• Calculated formula: C167.552 H183.552 Cl22.656 Eu4 Mn2 O39.32 S16
• Title of publication: Two MnII2LnIII4 (Ln = Gd, Eu) hexanuclear compounds of p-tert-butylsulfinylcalix[4]arene
• Authors of publication: Bi, Yanfeng; Wang, Xiu-Teng; Wang, Bing-Wu; Liao, Wuping; Wang, Xiaofei; Zhang, Hongjie; Gao, Song; Li, Deqian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2250 - 2254
• a: 19.6997 ± 0.0008 Å
• b: 19.6997 ± 0.0008 Å
• c: 65.255 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25324 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No