Information card for entry 7123111

Structure parameters

• Formula: C22 H15 N2 O11 S2 Zn2
• Calculated formula: C22 H15 N2 O11 S2 Zn2
• Title of publication: Design of the Zn-MOF Biosensor via a Ligand “Lock” for the Recognition and Distinction of S-containing Amino Acids
• Authors of publication: Wu, Xiao-Qin; Liu, Yan; Feng, Pei-qi; Wei, Xuehong; Qiu, Xiao-Hang; Ma, Jian-Gong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1191 ± 0.001 Å
• b: 11.1367 ± 0.001 Å
• c: 15.4541 ± 0.0014 Å
• α: 87.029 ± 0.003°
• β: 86.265 ± 0.003°
• γ: 84.741 ± 0.003°
• Cell volume: 1899.6 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290.08 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No