Information card for entry 7134263

Structure parameters

• Formula: C3.5 H5 Br Cu0.5 N
• Calculated formula: C3.5 H5 Br Cu0.5 N
• 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: 6.7527 ± 0.0005 Å
• b: 8.6037 ± 0.0009 Å
• c: 9.204 ± 0.0008 Å
• α: 90°
• β: 98.41 ± 0.009°
• γ: 90°
• Cell volume: 528.99 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No