Information card for entry 7018149

Structure parameters

• Formula: C8 H6 Mn2 O9 S
• Calculated formula: C8 H6 Mn2 O9 S
• Title of publication: Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).
• Authors of publication: Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2639 - 2647
• a: 8.3817 ± 0.0007 Å
• b: 12.2159 ± 0.001 Å
• c: 22.1945 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No