Information card for entry 7712577

Structure parameters

• Formula: C20 H44 Br4 N2 Zn
• Calculated formula: C20 H44 Br4 N2 Zn
• SMILES: Br[Zn](Br)([Br-])[Br-].[N+]1(CCCC)(C)CCCCC1.[N+]1(CCCC)(C)CCCCC1
• Title of publication: Luminescent Hybrid Halides with Various Centering Metal Cations (Zn, Cd and Pb) and Diverse Structures
• Authors of publication: Fan, Liubing; Hao, Shiqiang; He, Shihui; Zhang, Xusheng; Li, Mingyang; Wolverton, Chris M.; Zhao, Jing; Liu, Quanlin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.333 Å
• b: 10.519 Å
• c: 16.915 Å
• α: 90°
• β: 111.1°
• γ: 90°
• Cell volume: 2711.27 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0281
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No