Information card for entry 2205236

Structure parameters

• Chemical name: k^2^O-copper(II)
• Formula: C38 H30 Cl2 Cu N10 O8
• Calculated formula: C38 H30 Cl2 Cu N10 O8
• SMILES: O(Cl(=O)(=O)=O)[Cu]12([n]3c(c4n(c(c5ccccn5)n[n]14)c1ccc(cc1)C)cccc3)([n]1c(c3cccc[n]23)n(c(c2ccccn2)n1)c1ccc(cc1)C)OCl(=O)(=O)=O
• Title of publication: <i>trans</i>-Bis[4-(4-methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole]diperchlorato-κ^2^<i>O</i>-copper(II)
• Authors of publication: Zhang, Shu-Ping; Liu, Zhao-Di; Ma, Ji-Long; Yang, Song; Shao, Si-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m423 - m424
• a: 8.398 ± 0.003 Å
• b: 8.68 ± 0.003 Å
• c: 13.558 ± 0.004 Å
• α: 93.725 ± 0.005°
• β: 91.749 ± 0.004°
• γ: 106.977 ± 0.004°
• Cell volume: 942 ± 0.5 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes