Information card for entry 7232794

Structure parameters

• Formula: C27 H21 Cu N3 O6
• Calculated formula: C27 H21 Cu N3 O6
• Title of publication: Experimental and computational investigation of a DNA-shielded 3D metal‒organic framework for the prompt dual sensing of Ag+ and S2−
• Authors of publication: Cai, Shao-Lan; Yang, Zi-Chuan; Wu, Ke-Yang; Fan, Cheng; Zhai, Ling-Yan; Huang, Nai-Han; Li, Rong-Tian; Duan, Wen-Jun; Chen, Jin-Xiang
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 27
• Pages of publication: 15424
• a: 31.299 ± 0.003 Å
• b: 11.9822 ± 0.0009 Å
• c: 19.7406 ± 0.0016 Å
• α: 90°
• β: 122.827 ± 0.0013°
• γ: 90°
• Cell volume: 6221.1 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No