Information card for entry 7061975

Structure parameters

• Common name: 0.5(C26 H18 Mn2 N10 O10)
• Formula: C13 H9 Mn N5 O5
• Calculated formula: C13 H9 Mn N5 O5
• Title of publication: Proton conductivity studies on two non-porous coordination complexes with different proton densities
• Authors of publication: Lu, Ying-Bing; Lin, Xue-Lian; Ai, Jia-Hao; Cai, Yu-Zheng; Li, Shui-Qing; Li, Rong; Zhang, Shi-Yong; Xie, Yong-Rong; Zhu, Shui-Dong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 46
• Pages of publication: 22088 - 22097
• a: 16.2976 ± 0.0004 Å
• b: 7.7839 ± 0.0002 Å
• c: 22.6791 ± 0.0005 Å
• α: 90°
• β: 100.481 ± 0.001°
• γ: 90°
• Cell volume: 2829.04 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No