Information card for entry 7246928

Structure parameters

• Formula: C14 H33.52 Cl6 Mn N2
• Calculated formula: C14 H34 Cl6 Mn N2
• 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: 12.952 ± 0.0009 Å
• b: 13.4792 ± 0.001 Å
• c: 15.8481 ± 0.0012 Å
• α: 110.169 ± 0.002°
• β: 113.276 ± 0.002°
• γ: 90.899 ± 0.003°
• Cell volume: 2348.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1144
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No