Information card for entry 7044257

Structure parameters

• Formula: C54 H58 N8 Ni3 O24
• Calculated formula: C54 H58 N8 Ni3 O24
• 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: 7.096 ± 0.005 Å
• b: 13.946 ± 0.005 Å
• c: 15.121 ± 0.005 Å
• α: 78.028 ± 0.005°
• β: 79.552 ± 0.005°
• γ: 88.318 ± 0.005°
• Cell volume: 1439.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No