Information card for entry 7250935

Structure parameters

• Chemical name: (PrMeNC4H8)2[ZnBr4]
• Formula: C16 H36 Br4 N2 Zn
• Calculated formula: C15.9993 H35.9985 Br4 N2 Zn
• Title of publication: Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal
• Authors of publication: Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 44
• Pages of publication: 7170 - 7177
• a: 16.12 ± 0.004 Å
• b: 9.3802 ± 0.0006 Å
• c: 17.127 ± 0.002 Å
• α: 90°
• β: 109.239 ± 0.019°
• γ: 90°
• Cell volume: 2445.1 ± 0.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No