Information card for entry 8000442

Structure parameters

• Formula: C20 H32 Br4 N2 Zn
• Calculated formula: C20 H32 Br4 N2 Zn
• SMILES: [Zn](Br)(Br)([Br-])[Br-].C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1
• Title of publication: Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn²⁺-Based Metal Halides: A Case Study of (C₁₀H₁₆N)₂Zn_1-<i>x</i>Mn_<i>x</i>Br₄ Solid Solutions.
• Authors of publication: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Pages of publication: 5956 - 5962
• a: 9.552 ± 0.0002 Å
• b: 9.134 ± 0.0002 Å
• c: 15.2067 ± 0.0003 Å
• α: 90°
• β: 94.953 ± 0.0014°
• γ: 90°
• Cell volume: 1321.8 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor R(I) for significantly intense reflections: 2.07
• Goodness-of-fit parameter for all reflections: 1.86
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No