Information card for entry 2006860

Structure parameters

• Chemical name: Dichloro-tetrakis{(2-pyridyl)pyrazine}copper(II) complex, C~24~H~16~N~6~Cl~2~Cu
• Formula: C24 H16 Cl2 Cu N6
• Calculated formula: C24 H16 Cl2 Cu N6
• SMILES: [Cu]12(Cl)(Cl)[n]3c(c(nc(c3c3[n]2cccc3)c2ncccc2)c2ncccc2)c2[n]1cccc2
• Title of publication: Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)]
• Authors of publication: Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1813 - 1815
• a: 14.5643 ± 0.0011 Å
• b: 7.1338 ± 0.0011 Å
• c: 21.231 ± 0.002 Å
• α: 90°
• β: 105.021 ± 0.008°
• γ: 90°
• Cell volume: 2130.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No