Information card for entry 7044258

Structure parameters

• Formula: C27 H20 Co N4 O6
• Calculated formula: C27 H20 Co N4 O6
• 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: 11.4041 ± 0.0009 Å
• b: 21.3552 ± 0.0016 Å
• c: 10.8848 ± 0.0008 Å
• α: 90°
• β: 99.701 ± 0.001°
• γ: 90°
• Cell volume: 2612.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No