Information card for entry 7249555

Structure parameters

• Formula: C11 H18 Br4 N2 Zn
• Calculated formula: C11 H18 Br4 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
• Journal volume: 26
• Journal issue: 46
• Pages of publication: 6585 - 6590
• a: 8.1323 ± 0.0003 Å
• b: 16.4609 ± 0.0006 Å
• c: 13.2339 ± 0.0005 Å
• α: 90°
• β: 105.928 ± 0.001°
• γ: 90°
• Cell volume: 1703.54 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0633
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No