Information card for entry 7246929

Structure parameters

• Formula: C14 H34 Cl6 Mn N2
• Calculated formula: C14 H34 Cl6 Mn N
• Title of publication: Dielectric and optical properties of a new organic–inorganic hybrid phase transition material
• Authors of publication: Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 30
• Pages of publication: 4284 - 4289
• a: 9.2031 ± 0.0009 Å
• b: 9.2031 ± 0.0009 Å
• c: 14.662 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.8 ± 0.2 ų
• Cell temperature: 340 K
• Ambient diffraction temperature: 340 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.3186
• Weighted residual factors for all reflections included in the refinement: 0.3564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No