Information card for entry 4003378

Structure parameters

• Formula: C28 H18 N O4 Zn
• Calculated formula: C28 H18 N O4 Zn
• Title of publication: Structure Transformation of a Luminescent Pillared-Layer Metal‒Organic Framework Caused by Point Defects Accumulation
• Authors of publication: Qi, Yi; Xu, Huoshu; Li, Xiaomin; Tu, Binbin; Pang, Qingqing; Lin, Xiao; Ning, Erlong; Li, Qiaowei
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 5478
• a: 22.03 ± 0.04 Å
• b: 21.02 ± 0.04 Å
• c: 15.27 ± 0.03 Å
• α: 90°
• β: 131.61 ± 0.03°
• γ: 90°
• Cell volume: 5287 ± 18 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• 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: 0.1661
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.3596
• Weighted residual factors for all reflections included in the refinement: 0.3777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No