Information card for entry 7119924

Structure parameters

• Formula: C12 H32 Br4 Mn N2
• Calculated formula: C12 H32 Br4 Mn N2
• Title of publication: (Diisopropylammonium)2MnBr4: A Multifunctional Ferroelectric with Efficient Green-emission and Excellent Gas Sensing Property
• Authors of publication: Jiang, Chunli; Zhong, Ni; Luo, Chunhua; Lin, Hechun; Zhang, Yuanyuan; Peng, Hui; Duan, Chun-Gang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.5214 ± 0.0006 Å
• b: 26.532 ± 0.0011 Å
• c: 12.0175 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4630.1 ± 0.3 ų
• Cell temperature: 296.02 K
• Ambient diffraction temperature: 296.02 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No