Information card for entry 2214013

Structure parameters

• Chemical name: Bis(5-n-butylpyridine-2-carboxylato)copper(II)
• Formula: C20 H24 Cu N2 O4
• Calculated formula: C20 H24 Cu N2 O4
• SMILES: C1(=O)O[Cu]2([n]3c1ccc(c3)CCCC)[n]1c(C(=O)O2)ccc(c1)CCCC
• Title of publication: Bis(5-<i>n</i>-butylpyridine-2-carboxylato)copper(II)
• Authors of publication: Lu He; Jian-Bin Yan; Xian-Xia Guo; Wen-Dong Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1649 - m1649
• a: 5.5052 ± 0.0001 Å
• b: 8.0683 ± 0.0003 Å
• c: 11.3008 ± 0.0005 Å
• α: 70.338 ± 0.002°
• β: 89.399 ± 0.002°
• γ: 78.706 ± 0.001°
• Cell volume: 462.7 ± 0.03 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: 0.0443
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes