Information card for entry 1564181

Structure parameters

• Formula: C76 H108 Mg6 N8 O68
• Calculated formula: C76 H108 Mg6 N8 O68
• Title of publication: A highly selective and sensitive bifunctional luminescent sensor for TNP and Iron ion based on magnesium coordination polymer
• Authors of publication: Cao, Xiujun; Zhang, Xiaolong; Zhang, Mingdao; Hu, Jinsong
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119836
• a: 6.9141 ± 0.0009 Å
• b: 18.071 ± 0.002 Å
• c: 19.864 ± 0.002 Å
• α: 90°
• β: 95.225 ± 0.003°
• γ: 90°
• Cell volume: 2471.6 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2667
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No