Information card for entry 7044122

Structure parameters

• Formula: C12 H44 I4 Mn2 N12
• Calculated formula: C12 H44 I4 Mn2 N12
• Title of publication: Fluorite-type coordination compound as iodide ion conductors: crystal structure and ionic conductivity
• Authors of publication: Chen, Xin; xue, chen; Liu, Shao-Xian; Liu, Jian-Lan; Yao, Zhi-Yuan; Ren, XiaoMing
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.7613 ± 0.0006 Å
• b: 14.3003 ± 0.0009 Å
• c: 14.483 ± 0.001 Å
• α: 107.455 ± 0.002°
• β: 95.552 ± 0.002°
• γ: 101.371 ± 0.002°
• Cell volume: 1673.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No