Information card for entry 2234885

Structure parameters

• Common name: bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)
• Chemical name: Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazol-1-ido- κ<i>N</i>^1^]copper(II)
• Formula: C22 H14 Cu N12
• Calculated formula: C22 H14 Cu N12
• SMILES: [Cu]12([n]3c(cccc3)c3n1nc(c1cnccn1)n3)[n]1c(cccc1)c1n2nc(c2cnccn2)n1
• Title of publication: Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazol-1-ido-κ<i>N</i>^1^]copper(II)
• Authors of publication: Cong, Lin-Lin; Kang, Min-Yan; Ji, Yu-Fei; Liu, Zhi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m669
• a: 11.9735 ± 0.0004 Å
• b: 10.7539 ± 0.0003 Å
• c: 8.0162 ± 0.0003 Å
• α: 90°
• β: 106.5 ± 0.004°
• γ: 90°
• Cell volume: 989.68 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes