Information card for entry 7700675

Structure parameters

• Formula: C12 H12 Mn2 N2 O13 S2
• Calculated formula: C12 H12 Mn2 N2 O13 S2
• Title of publication: Cluster-oxalate frameworks with extra-large channels: solvent-free synthesis, chemical stability, and proton conduction.
• Authors of publication: Luan, Lindong; Zhang, Ying; Zeng, Hongmei; Zou, Guohong; Dai, Yong; Zhou, Xiaoying; Lin, Zhien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13130 - 13134
• a: 23.10844 ± 0.00015 Å
• b: 23.10844 ± 0.00015 Å
• c: 13.18166 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7039.01 ± 0.1 ų
• Cell temperature: 292.06 ± 0.1 K
• Ambient diffraction temperature: 292.06 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No