Information card for entry 7704332

Structure parameters

• Common name: [Pb4(2,6-ndc)3Br2]n
• Formula: C18 H9 Br O6 Pb2
• Calculated formula: C18 H9 Br O6 Pb2
• Title of publication: Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.
• Authors of publication: Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7309 - 7314
• a: 6.0493 ± 0.0004 Å
• b: 12.1823 ± 0.0006 Å
• c: 22.6741 ± 0.0014 Å
• α: 90°
• β: 91.064 ± 0.005°
• γ: 90°
• Cell volume: 1670.67 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No