Information card for entry 2216343

Structure parameters

• Chemical name: Bis[3-ethyl-4-(4-methylphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole-\ κ^2^N,N']copper(II) bis(perchlorate)
• Formula: C32 H32 Cl2 Cu N8 O8
• Calculated formula: C32 H32 Cl2 Cu N8 O8
• SMILES: c1cccc2c3[n](nc(CC)n3c3ccc(cc3)C)[Cu]3([n]12)([n]1ccccc1c1[n]3nc(CC)n1c1ccc(cc1)C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Bis[3-ethyl-4-(4-methylphenyl)-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>,<i>N</i>']copper(II) bis(perchlorate)
• Authors of publication: Pingfeng Wu; Zuoxiang Wang; Bugao Zhou; Liaocheng Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3060 - m3060
• a: 8.0113 ± 0.0014 Å
• b: 8.3126 ± 0.0014 Å
• c: 14.215 ± 0.003 Å
• α: 99.374 ± 0.003°
• β: 102.689 ± 0.003°
• γ: 107.041 ± 0.002°
• Cell volume: 856.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes