Information card for entry 7712579

Structure parameters

• Formula: C20 H34 Br4.03 Cd N2
• Calculated formula: C20 H35.5 Br4.044 Cd N2
• 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: 17.5329 ± 0.0005 Å
• b: 9.9301 ± 0.0002 Å
• c: 33.1666 ± 0.0006 Å
• α: 90°
• β: 102.82 ± 0.002°
• γ: 90°
• Cell volume: 5630.5 ± 0.2 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: 0.1012
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No