Information card for entry 7134264

Structure parameters

• Formula: C6 H8 Br N2 Zn0.5
• Calculated formula: C6 H8 Br N2 Zn0.5
• Title of publication: Unveiling the photophysical mechanisms in low-dimensional Zn/Cu-based metal halides.
• Authors of publication: Yang, Chuanyao; Zheng, Jia; Xu, Chang; Xiao, Chong; Chang, Yuanyuan; Zhou, Lei; Gong, Xiangnan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 22
• Pages of publication: 4379 - 4382
• a: 7.0944 ± 0.0003 Å
• b: 12.2277 ± 0.0004 Å
• c: 18.1167 ± 0.0007 Å
• α: 90°
• β: 92.812 ± 0.004°
• γ: 90°
• Cell volume: 1569.7 ± 0.1 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No