Information card for entry 1575246

Structure parameters

• Formula: C12 H10 Br2 N2 Pb
• Calculated formula: C12 H10 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: 20.88 ± 0.0009 Å
• b: 4.1316 ± 0.0001 Å
• c: 17.4968 ± 0.0007 Å
• α: 90°
• β: 114.092 ± 0.005°
• γ: 90°
• Cell volume: 1377.93 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No