Information card for entry 7044260

Structure parameters

• Formula: C27 H18 N4 O5 Zn
• Calculated formula: C27 H18 N4 O5 Zn
• Title of publication: Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules
• Authors of publication: Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.0779 ± 0.0011 Å
• b: 22.03 ± 0.002 Å
• c: 11.4217 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2787.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No