Information card for entry 4350075

Structure parameters

• Common name: [Cu(ligand)(Py)]2
• Formula: C28 H22 Cu N8 O4
• Calculated formula: C28 H22 Cu N8 O4
• SMILES: C1(=O)c2ccn(c3ncccc3)[n]2[Cu]2([n]3ccccc3)(O1)([n]1c(C(=O)O2)ccn1c1ccccn1)[n]1ccccc1
• Title of publication: Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons
• Authors of publication: Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2359
• a: 14.1353 ± 0.0007 Å
• b: 10.5943 ± 0.0005 Å
• c: 17.9376 ± 0.0009 Å
• α: 90°
• β: 106.5 ± 0.005°
• γ: 90°
• Cell volume: 2575.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No