Information card for entry 7249553

Structure parameters

• Formula: C6 H16 Cl4 N2 Zn
• Calculated formula: C6 H16 Cl4 N2 Zn
• Title of publication: Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions
• Authors of publication: Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 11.5162 ± 0.0008 Å
• b: 9.6416 ± 0.0006 Å
• c: 23.7933 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No