Information card for entry 2220464

Structure parameters

• Chemical name: Bis[μ-3-ethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole]bis[dichloridocopper(II)]
• Formula: C30 H28 Cl4 Cu2 N8
• Calculated formula: C30 H28 Cl4 Cu2 N8
• SMILES: c1[n]2[Cu]3(Cl)([n]4c(c2ccc1)n(c(CC)[n]4[Cu]1([n]2ccccc2c2[n]1[n]3c(CC)n2c1ccccc1)(Cl)Cl)c1ccccc1)Cl
• Title of publication: Bis[μ-3-ethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole]bis[dichloridocopper(II)]
• Authors of publication: Wang, Zuoxiang; Liu, Chunyi; Zhang, Xiaoming; Gong, Xiaoning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m22
• a: 9.3395 ± 0.0011 Å
• b: 12.8096 ± 0.0014 Å
• c: 13.9234 ± 0.0016 Å
• α: 92.533 ± 0.002°
• β: 94.596 ± 0.002°
• γ: 90.452 ± 0.002°
• Cell volume: 1658.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes