Information card for entry 1546440

Structure parameters

• Chemical name: VNU-18
• Formula: C23.5 H22.5 Cu3 N4.5 O13
• Calculated formula: C23.5 H22.5 Cu3 N4.5 O13
• Title of publication: Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings
• Authors of publication: Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 14.9611 ± 0.0007 Å
• b: 18.8833 ± 0.0009 Å
• c: 15.2457 ± 0.0008 Å
• α: 90°
• β: 102.243 ± 0.0018°
• γ: 90°
• Cell volume: 4209.2 ± 0.4 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No