Information card for entry 2208435

Structure parameters

• Chemical name: Bis[4-(4-methoxyphenyl)-3-methyl-5-(2-pyridyl)-4H-1,2,4-triazole-κN^1^]- bis(salicylato-κO)copper(II) methanol disolvate
• Formula: C46 H46 Cu N8 O10
• Calculated formula: C46 H46 Cu N8 O10
• SMILES: c12c3[n](nc(n3c3ccc(OC)cc3)C)[Cu]3([n]2cccc1)(OC(=O)c1c(O)cccc1)([n]1c(c2cccc[n]32)n(c(n1)C)c1ccc(OC)cc1)OC(=O)c1c(O)cccc1.OC.OC
• Title of publication: Bis[4-(4-methoxyphenyl)-3-methyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]bis(salicylato-κ<i>O</i>)copper(II) methanol disolvate
• Authors of publication: An-Yu Zhou; Zuo-Xiang Wang; Yan Lan; Lu-Tong Yuan; Chun-Yi Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m591 - m592
• a: 8.643 ± 0.003 Å
• b: 14.638 ± 0.002 Å
• c: 17.715 ± 0.003 Å
• α: 90°
• β: 100.579 ± 0.005°
• γ: 90°
• Cell volume: 2203.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes