Information card for entry 7000811

Structure parameters

• Common name: [Gd4 Mn2 (C40H44O8S4)4 (H2O)2] (H2O)6.28 (CHCl3)7.72
• Formula: C167.72 H200.28 Cl23.16 Gd4 Mn2 O40.28 S16
• Calculated formula: C167.72 H183.72 Cl23.16 Gd4 Mn2 O40.28 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: 19.7575 ± 0.0006 Å
• b: 19.7575 ± 0.0006 Å
• c: 65.511 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25572.8 ± 1.6 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No