Information card for entry 1575249

Structure parameters

• Formula: C12 Br2 N2 Pb
• Calculated formula: C12 Br2 N2 Pb
• Title of publication: Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.
• Authors of publication: Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16004 - 16015
• a: 12.1435 ± 0.0008 Å
• b: 14.3139 ± 0.0009 Å
• c: 4.1064 ± 0.0003 Å
• α: 90°
• β: 91.303 ± 0.007°
• γ: 90°
• Cell volume: 713.59 ± 0.08 ų
• Cell temperature: 99.94 ± 0.13 K
• Ambient diffraction temperature: 99.94 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No