Information card for entry 7018036

Structure parameters

• Formula: C138 H132 Cl10 Mn5 N24 O2
• Calculated formula: C138 H132 Cl10 Mn5 N24 O2
• Title of publication: Self-adaptation of manganese-chloride arrangement toward high spin Mn(5)(μ-Cl)(4) cluster-based metal-organic framework with S = (15)/(2).
• Authors of publication: Lin, Shao-Hsuan; Yang, Chen-I; Kuo, Ting-Shen; Chiang, Ming-Hsi; Hsu, Kung-Chung; Lu, Kuang-Lieh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1448 - 1450
• a: 22.0951 ± 0.0016 Å
• b: 22.0951 ± 0.0016 Å
• c: 13.0878 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6389.4 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No