Information card for entry 7711298

Structure parameters

• Formula: C16 H22 Cl6 N2 Zn
• Calculated formula: C16 H22 Cl6 N2 Zn
• SMILES: c1([NH+](C)C)cc(ccc1)Cl.Cl[Zn](Cl)([Cl-])[Cl-].[NH+](c1cccc(Cl)c1)(C)C
• Title of publication: Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides
• Authors of publication: Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.4644 ± 0.0003 Å
• b: 7.7388 ± 0.0003 Å
• c: 20.7344 ± 0.0009 Å
• α: 93.993 ± 0.002°
• β: 95.268 ± 0.002°
• γ: 111.277 ± 0.002°
• Cell volume: 1104.52 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No