Information card for entry 7228389

Structure parameters

• Formula: C23 H9 O11 Zn2
• Calculated formula: C23 H9 O11 Zn2
• Title of publication: An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis
• Authors of publication: Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.094 ± 0.0006 Å
• b: 12.7134 ± 0.0005 Å
• c: 33.9463 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3924.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No